| 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 | 35.8 | Very low | 33.5 | Very low | 222 Ų | 222 | 152.9 Ų | 152.9 | 100% | 1.094 | 84% | 0.837 | S | S | * | * | 0 | 119.2 | 0 | -68.3 | 69.4 | 102.9 | 0 | 0 | 105.8 | |||||
| 2 | S | 34.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | cis | 85.6 | 151.7 | 33.3 | -46.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | S | 32.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | 60.4 | 127.2 | -163.7 | 45.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 4 | S | 33.2 | Very low | 32.4 | Very low | 102 Ų | 102 | 157.3 Ų | 157.3 | 71% | 0.713 | 83% | 0.831 | S | S | * | * | cis | 118.3 | 140.5 | 3.3 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 5 | D | 33.8 | Very low | 32.3 | Very low | 149 Ų | 149 | 160.8 Ų | 160.8 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | 66.7 | 82.3 | 154.9 | -44 | -23.9 | 0 | 0 | 0 | 118 | ||||
| 6 | D | 35.3 | Very low | 32.3 | Very low | 170 Ų | 170 | 161.2 Ų | 161.2 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -90.6 | 118.4 | 146.9 | -80.4 | -59.3 | 0 | 0 | 0 | 108 | ||||
| 7 | E | 34.6 | Very low | 32 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -146.7 | 158.5 | 179.2 | -96.8 | -66.1 | 167.3 | 0 | 0 | 112.2 | ||||
| 8 | D | 30.8 | Very low | 31.8 | Very low | 137 Ų | 137 | 161.7 Ų | 161.7 | 73% | 0.733 | 83% | 0.832 | S | S | * | * | trans | 59.4 | 83 | 167.7 | -159.8 | 7.3 | 0 | 0 | 0 | 120 | ||||
| 9 | V | 32.7 | Very low | 31.9 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -142.7 | 129.1 | 131.6 | -151.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 10 | M | 32.6 | Very low | 31.6 | Very low | 173 Ų | 173 | 161.7 Ų | 161.7 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | 74.9 | 97.3 | 168.9 | -51.3 | -166.4 | -66.2 | 0 | 0 | 118.8 | ||||
| 11 | E | 32.3 | Very low | 31.3 | Very low | 196 Ų | 196 | 157.1 Ų | 157.1 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -109.6 | 121.3 | 141.9 | -85.3 | -152.5 | 126.3 | 0 | 0 | 110.6 | ||||
| 12 | E | 29.6 | Very low | 30.9 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -170.9 | 139.2 | 146.7 | -104.3 | -84.5 | 69.4 | 0 | 0 | 109 | ||||
| 13 | H | 28.3 | Very low | 30.5 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | 49.8 | 87.8 | 169.7 | -75.9 | -100.2 | 0 | 0 | 0 | 120.4 | ||||
| 14 | Q | 27.4 | Very low | 30.3 | Very low | 198 Ų | 198 | 156.9 Ų | 156.9 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | -170.9 | 125.1 | 111.9 | -108.3 | -178.3 | 6.1 | 0 | 0 | 114.1 | |||||
| 15 | K | 30 | Very low | 30.1 | Very low | 210 Ų | 210 | 160.5 Ų | 160.5 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -148.6 | 67.9 | 169.9 | -155.3 | 170.8 | -169.7 | 170.6 | 0 | 113.4 | ||||
| 16 | I | 32.5 | Very low | 29.8 | Very low | 167 Ų | 167 | 158 Ų | 158 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -123.3 | 96.1 | 166.8 | -58.4 | 178 | 0 | 0 | 0 | 108.3 | ||||
| 17 | S | 26.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -167.4 | 149.7 | 168.2 | -126.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 18 | R | 28.5 | Very low | 29.1 | Very low | 232 Ų | 232 | 152.8 Ų | 152.8 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | 76.4 | 105.1 | 155.9 | -63.6 | 165.4 | -162.7 | -172.3 | 2.3 | 118.3 | ||||
| 19 | M | 34.6 | Very low | 28.9 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -59.9 | 145.4 | 150.9 | -45.2 | 114.1 | 62.1 | 0 | 0 | 111 | ||||
| 20 | V | 25.6 | Very low | 28.7 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -154.1 | 136 | 141.3 | 165.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 21 | G | 26.1 | Very low | 28.4 | Very low | 67 Ų | 67 | 151.9 Ų | 151.9 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 60 | 160.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 22 | E | 26.9 | Very low | 28.3 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | cis | -156.8 | 178.1 | -13.1 | -134.1 | 172.2 | 137.5 | 0 | 0 | 109.9 | ||||
| 23 | S | 26.5 | Very low | 28.1 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -95.5 | 157.5 | -175.1 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 24 | L | 29.1 | Very low | 28.4 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | 178.3 | 130.6 | 139.4 | -97.5 | 159.3 | 0 | 0 | 0 | 114.3 | ||||
| 25 | Q | 27.5 | Very low | 28.3 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 63.4 | 148.8 | 149.9 | -75.1 | 164.5 | -5.1 | 0 | 0 | 119.9 | ||||
| 26 | A | 27.2 | Very low | 28.2 | Very low | 97 Ų | 97 | 136 Ų | 136 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | cis | -143.6 | -179.7 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 27 | A | 27.8 | Very low | 28.1 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -85.6 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 28 | D | 27.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -153.6 | -157.5 | 3.8 | -155.4 | 21.2 | 0 | 0 | 0 | 108.2 | ||||
| 29 | Q | 28.1 | Very low | 28.6 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 64% | 0.64 | 78% | 0.776 | S | S | * | * | cis | -161.8 | 135.2 | 6.4 | 178.5 | -179.3 | -19.7 | 0 | 0 | 110.3 | ||||
| 30 | E | 28.3 | Very low | 28.6 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 57.9 | 162.5 | 160.4 | -71.4 | -173.8 | 111.3 | 0 | 0 | 119.5 | ||||
| 31 | Q | 26.2 | Very low | 28.7 | Very low | 147 Ų | 147 | 142 Ų | 142 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | cis | -155.5 | 165.8 | -4 | -127.3 | 177.9 | 28.5 | 0 | 0 | 111.6 | ||||
| 32 | L | 28.6 | Very low | 29.3 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | 65.2 | 104.1 | 160.2 | -95.6 | 71.1 | 0 | 0 | 0 | 122.6 | ||||
| 33 | E | 26.3 | Very low | 29.7 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -72 | 166.1 | 140 | -106 | -79.4 | 101.7 | 0 | 0 | 109.9 | T35 | E33-T35 VanDerWaalsContact CD-N 3.32Å; E33-T35 PolarHBondContact OE1-N 3.37Å; E33-T35 VanDerWaalsContact OE2-CB 3.31Å; E33-T35 WeakPolarHBondContact OE2-CB 3.39Å; E33-T35 VanDerWaalsContact OE2-CG2 3.26Å; E33-T35 WeakPolarHBondContact OE2-CG2 3.22Å; E33-T35 PolarHBondContact OE2-N 3.31Å; E33-T35 PolarHBondContact OE2-OG1 3.42Å | ||
| 34 | P | 34.2 | Very low | 30.3 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | -145.6 | 143.4 | 51.6 | 38.9 | -17.6 | 0 | 0 | 0 | 120.5 | |||||
| 35 | T | 26.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | -28.6 | 147.6 | 143.2 | 39.1 | 0 | 0 | 0 | 0 | 117.6 | E33 | E33-T35 VanDerWaalsContact CD-N 3.32Å; E33-T35 PolarHBondContact OE1-N 3.37Å; E33-T35 VanDerWaalsContact OE2-CB 3.31Å; E33-T35 WeakPolarHBondContact OE2-CB 3.39Å; E33-T35 VanDerWaalsContact OE2-CG2 3.26Å; E33-T35 WeakPolarHBondContact OE2-CG2 3.22Å; E33-T35 PolarHBondContact OE2-N 3.31Å; E33-T35 PolarHBondContact OE2-OG1 3.42Å | ||
| 36 | G | 26.6 | Very low | 31.4 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 165.9 | 70.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 37 | R | 30.2 | Very low | 31.7 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | trans | 54.1 | 123.3 | 147.5 | -60.9 | 173.5 | 172.7 | 168.5 | -2.5 | 121.2 | ||||
| 38 | K | 29.6 | Very low | 32.1 | Very low | 213 Ų | 213 | 151.8 Ų | 151.8 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | -170.8 | 153 | 108.6 | -98 | 154.7 | -173 | 175.4 | 0 | 112 | |||||
| 39 | K | 36.6 | Very low | 32.2 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -104.7 | 154.8 | 172.4 | -62.6 | -178.9 | 179.8 | -179.9 | 0 | 109.6 | ||||
| 40 | P | 34.2 | Very low | 32.6 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -128.5 | 146 | 99.9 | 5.3 | 17.1 | 0 | 0 | 0 | 111.6 | |||||
| 41 | Q | 28 | Very low | 32.8 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | 83.1 | 120.8 | 61.9 | -171.5 | 172.6 | -16.8 | 0 | 0 | 114.3 | |||||
| 42 | L | 40.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -76.5 | 142.6 | 174.6 | -96.1 | 64.1 | 0 | 0 | 0 | 112.3 | ||||
| 43 | V | 34.5 | Very low | 33.4 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -140.5 | 157.4 | 159.1 | -175.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 44 | R | 38.1 | Very low | 33.6 | Very low | 227 Ų | 227 | 151.3 Ų | 151.3 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -135.6 | 120.6 | -166.9 | 166.4 | -169.2 | 166.2 | 106.6 | -11.3 | 112.2 | ||||
| 45 | S | 38.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -154.5 | 146.3 | 174 | -12.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 46 | K | 41.6 | Very low | 34 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | cis | 62.1 | 126.6 | 19.5 | -68.7 | -154.4 | 173.1 | -168.3 | 0 | 114.6 | ||||
| 47 | T | 34.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 160.2 Ų | 160.2 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | cis | -163.5 | 147.8 | 0.8 | 3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 48 | L | 34.9 | Very low | 35 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 32.6 | 116.3 | 146 | -173.6 | 92.4 | 0 | 0 | 0 | 120.1 | ||||
| 49 | D | 31.1 | Very low | 35 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -152.3 | 153 | 148.3 | 54.6 | -54.2 | 0 | 0 | 0 | 111.4 | ||||
| 50 | N | 36.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -156.7 | 103.7 | -163.7 | -153.3 | 48.1 | 0 | 0 | 0 | 110.5 | ||||
| 51 | S | 31.6 | Very low | 35.5 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -168.5 | 152.4 | 162.6 | -148.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 52 | M | 32.6 | Very low | 36.2 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | 54.5 | 90.5 | 150.7 | -72.5 | -84.2 | 106.6 | 0 | 0 | 121.8 | ||||
| 53 | L | 35.6 | Very low | 36.3 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | 65 | 153 | 115.1 | -134.7 | 79.9 | 0 | 0 | 0 | 122.5 | |||||
| 54 | T | 30.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | 74.7 | 133.2 | 176.4 | -12.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 55 | Q | 32 | Very low | 37.4 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | cis | -140.2 | 163.6 | 11.7 | -161.1 | 159.8 | -13.9 | 0 | 0 | 111.5 | Q57 | Q55-Q57 PolarHBondContact O-N 2.86Š| ||
| 56 | V | 36.9 | Very low | 38.1 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -73.7 | 121 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | I58 | V56-I58 HydrophobicContact CG1-CG1 4.33Š| ||
| 57 | Q | 33.1 | Very low | 38.4 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | trans | -134.2 | 146.6 | 148.6 | -70.8 | -166.6 | -11.8 | 0 | 0 | 109.3 | Q55 | Q55-Q57 PolarHBondContact O-N 2.86Š| ||
| 58 | I | 44.8 | Very low | 38.9 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -107 | 114.5 | -172.9 | -63.1 | 168.3 | 0 | 0 | 0 | 108.3 | V56 | V56-I58 HydrophobicContact CG1-CG1 4.33Š| ||
| 59 | D | 29.8 | Very low | 39.9 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -128.4 | 122.1 | 179.4 | -164.9 | -36 | 0 | 0 | 0 | 110.8 | E61 | D59-E61 PolarHBondContact OD1-N 3.22Š| ||
| 60 | P | 45.7 | Very low | 41.1 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | -85.6 | 0.5 | -170.2 | 33.7 | -36.7 | 0 | 0 | 0 | 116.5 | S62 | P60-S62 PolarHBondContact O-N 3.18Š| ||
| 61 | E | 34.3 | Very low | 41.9 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -72.9 | -20.5 | -164.2 | -69.1 | -143.2 | 111.9 | 0 | 0 | 117.1 | D59 K63 I64 | D59-E61 PolarHBondContact OD1-N 3.22Å; E61-K63 PolarHBondContact O-N 3.45Å; E61-I64 PolarHBondContact O-N 2.93Å |
| 62 | S | 42.6 | Very low | 43.3 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -59.9 | -7.4 | -174.6 | 64.6 | 0 | 0 | 0 | 0 | 116.4 | P60 | P60-S62 PolarHBondContact O-N 3.18Š|
| 63 | K | 43.5 | Very low | 44.9 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 76% | 0.757 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -89.2 | -10 | 175.6 | -71.1 | 179.8 | 178.9 | 172.4 | 0 | 114.7 | E61 | E61-K63 PolarHBondContact O-N 3.45Š|
| 64 | I | 51.7 | Low | 46.5 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 44% | 0.436 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -87.3 | -48.1 | -169.3 | -62.8 | 176.6 | 0 | 0 | 0 | 112.9 | E61 R66 K67 K68 | E61-I64 PolarHBondContact O-N 2.93Å; I64-R66 PolarHBondContact O-N 2.94Å; I64-K67 WeakPolarHBondContact O-CA 3.45Å; I64-K67 VanDerWaalsContact O-CB 3.22Å; I64-K67 WeakPolarHBondContact O-CB 3.41Å; I64-K67 PolarHBondContact O-N 3.45Å; I64-K68 PolarHBondContact O-N 3.24Å |
| 65 | D | 43.8 | Very low | 48.6 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.9 | -31.8 | -173.9 | -74.3 | -50.6 | 0 | 0 | 0 | 114.4 | K67 K68 S69 | D65-K67 PolarHBondContact O-N 3.13Å; D65-K68 PolarHBondContact O-N 3.31Å; D65-K68 WeakPolarHBondContact OD1-CD 3.24Å; D65-K68 IonicContact OD1-NZ 3.83Å; D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-S69 PolarHBondContact O-OG 3.3Å |
| 66 | R | 53.1 | Low | 50.9 | Low | 218 Ų | 218 | 126.5 Ų | 126.5 | 82% | 0.823 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.7 | -22.6 | 167.6 | -106.3 | 179.1 | 172.8 | 156 | -1.5 | 112.8 | I64 S69 H70 | I64-R66 PolarHBondContact O-N 2.94Å; R66-S69 PolarHBondContact O-OG 3.05Å; R66-H70 WeakPolarHBondContact O-CB 3.49Å; R66-H70 PolarHBondContact O-N 2.89Å |
| 67 | K | 47.8 | Very low | 53.2 | Low | 161 Ų | 161 | 122.1 Ų | 122.1 | 70% | 0.7 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -85.5 | -37.9 | 176.8 | -158.4 | 174.2 | -179.8 | -178.4 | 0 | 111.6 | I64 D65 H70 Y71 | I64-K67 WeakPolarHBondContact O-CA 3.45Å; I64-K67 VanDerWaalsContact O-CB 3.22Å; I64-K67 WeakPolarHBondContact O-CB 3.41Å; I64-K67 PolarHBondContact O-N 3.45Å; D65-K67 PolarHBondContact O-N 3.13Å; K67-H70 PolarHBondContact O-N 3.03Å; K67-Y71 WeakPolarHBondContact O-CB 3.41Å; K67-Y71 PolarHBondContact O-N 3.22Å |
| 68 | K | 46.1 | Very low | 56 | Low | 137 Ų | 137 | 113.7 Ų | 113.7 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60 | -45 | 171.9 | -95.1 | 170.4 | 175.2 | 168.4 | 0 | 112.7 | I64 D65 S72 | I64-K68 PolarHBondContact O-N 3.24Å; D65-K68 PolarHBondContact O-N 3.31Å; D65-K68 WeakPolarHBondContact OD1-CD 3.24Å; D65-K68 IonicContact OD1-NZ 3.83Å; K68-S72 PolarHBondContact O-N 3.34Å; K68-S72 VanDerWaalsContact O-N 3.11Å; K68-S72 PolarHBondContact O-OG 2.68Å |
| 69 | S | 55.4 | Low | 58.1 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 47% | 0.469 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.7 | -43.5 | 177.9 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | D65 R66 Y71 S72 Q73 | D65-S69 PolarHBondContact O-N 3.35Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-S69 PolarHBondContact O-OG 3.3Å; R66-S69 PolarHBondContact O-OG 3.05Å; S69-Y71 PolarHBondContact O-N 2.81Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 PolarHBondContact O-OG 2.94Å; S69-S72 VanDerWaalsContact O-OG 3.13Å; S69-Q73 WeakPolarHBondContact O-CB 3.42Å; S69-Q73 PolarHBondContact O-N 3.23Å |
| 70 | H | 55.2 | Low | 61.1 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 176.6 | -165.9 | -87.1 | 0 | 0 | 0 | 112.1 | R66 K67 Q73 L74 | R66-H70 WeakPolarHBondContact O-CB 3.49Å; R66-H70 PolarHBondContact O-N 2.89Å; K67-H70 PolarHBondContact O-N 3.03Å; H70-Q73 PolarHBondContact O-N 2.85Å; H70-L74 WeakPolarHBondContact O-CB 3.46Å; H70-L74 PolarHBondContact O-N 3.37Å |
| 71 | Y | 53.6 | Low | 63.3 | Low | 179 Ų | 179 | 103.7 Ų | 103.7 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 177.6 | -173.7 | -103.2 | 0 | 0 | 0 | 112.8 | K67 S69 Q73 L74 S75 | K67-Y71 WeakPolarHBondContact O-CB 3.41Å; K67-Y71 PolarHBondContact O-N 3.22Å; S69-Y71 PolarHBondContact O-N 2.81Å; Y71-Q73 VanDerWaalsContact C-N 3.35Å; Y71-Q73 PolarHBondContact O-N 2.85Å; Y71-L74 PolarHBondContact O-N 2.71Å; Y71-S75 PolarHBondContact O-N 2.69Å |
| 72 | S | 62 | Low | 66.2 | Low | 56 Ų | 56 | 99.2 Ų | 99.2 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.6 | -20.3 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | K68 S69 S75 K76 | K68-S72 PolarHBondContact O-N 3.34Å; K68-S72 VanDerWaalsContact O-N 3.11Å; K68-S72 PolarHBondContact O-OG 2.68Å; S69-S72 PolarHBondContact O-N 3.06Å; S69-S72 PolarHBondContact O-OG 2.94Å; S69-S72 VanDerWaalsContact O-OG 3.13Å; S72-S75 PolarHBondContact O-OG 3.15Å; S72-K76 WeakPolarHBondContact O-CG 3.4Å |
| 73 | Q | 65 | Low | 68.6 | Low | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -80.1 | -35.3 | 166.9 | -174.1 | 170.7 | -33.4 | 0 | 0 | 111.8 | S69 H70 Y71 S77 | S69-Q73 WeakPolarHBondContact O-CB 3.42Å; S69-Q73 PolarHBondContact O-N 3.23Å; H70-Q73 PolarHBondContact O-N 2.85Å; Y71-Q73 VanDerWaalsContact C-N 3.35Å; Y71-Q73 PolarHBondContact O-N 2.85Å; Q73-S77 WeakPolarHBondContact O-CB 3.48Å; Q73-S77 PolarHBondContact O-N 2.76Å; Q73-S77 VanDerWaalsContact O-N 3.13Å; Q73-S77 PolarHBondContact O-OG 2.85Å |
| 74 | L | 70.1 | Confident | 70.9 | Confident | 45 Ų | 45 | 94.6 Ų | 94.6 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67 | -42.3 | 176.5 | -144.4 | 75.1 | 0 | 0 | 0 | 111.4 | H70 Y71 S77 N78 | H70-L74 WeakPolarHBondContact O-CB 3.46Å; H70-L74 PolarHBondContact O-N 3.37Å; Y71-L74 PolarHBondContact O-N 2.71Å; L74-S77 CarbonylContact O-C 3.48Å; L74-S77 WeakPolarHBondContact O-CB 3.31Å; L74-S77 PolarHBondContact O-N 3.24Å; L74-S77 VanDerWaalsContact O-N 3.15Å; L74-N78 WeakPolarHBondContact O-CB 3.4Å; L74-N78 PolarHBondContact O-N 3.44Å |
| 75 | S | 73.9 | Confident | 72.9 | Confident | 55 Ų | 55 | 90.6 Ų | 90.6 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.8 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | Y71 S72 S77 N78 S79 | Y71-S75 PolarHBondContact O-N 2.69Å; S72-S75 PolarHBondContact O-OG 3.15Å; S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.89Å; S75-N78 PolarHBondContact O-N 2.84Å; S75-S79 PolarHBondContact O-N 3.16Å; S75-S79 PolarHBondContact O-OG 3.13Å |
| 76 | K | 81.1 | Confident | 75.1 | Confident | 161 Ų | 161 | 94.2 Ų | 94.2 | 70% | 0.7 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -57.4 | -42 | 171.5 | -73 | 173.4 | -179.6 | 176.3 | 0 | 111.8 | S72 Q80 | S72-K76 WeakPolarHBondContact O-CG 3.4Å; K76-Q80 PolarHBondContact O-N 3.18Å; K76-Q80 VanDerWaalsContact O-N 3.13Å |
| 77 | S | 85.5 | Confident | 76.8 | Confident | 28 Ų | 28 | 89.3 Ų | 89.3 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70 | -35.5 | 179.2 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | Q73 L74 S75 Q80 Y81 | Q73-S77 WeakPolarHBondContact O-CB 3.48Å; Q73-S77 PolarHBondContact O-N 2.76Å; Q73-S77 VanDerWaalsContact O-N 3.13Å; Q73-S77 PolarHBondContact O-OG 2.85Å; L74-S77 CarbonylContact O-C 3.48Å; L74-S77 WeakPolarHBondContact O-CB 3.31Å; L74-S77 PolarHBondContact O-N 3.24Å; L74-S77 VanDerWaalsContact O-N 3.15Å; S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.89Å; S77-Q80 WeakPolarHBondContact O-CB 3.38Å; S77-Q80 PolarHBondContact O-N 2.78Å; S77-Y81 PolarHBondContact O-N 2.92Å |
| 78 | N | 90.8 | Very high | 78.8 | Confident | 14 Ų | 14 | 82.1 Ų | 82.1 | 8% | 0.075 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 175.9 | -160.8 | 20.6 | 0 | 0 | 0 | 111.4 | L74 S75 Q80 Y81 H82 Q93 L94 | L74-N78 WeakPolarHBondContact O-CB 3.4Å; L74-N78 PolarHBondContact O-N 3.44Å; S75-N78 PolarHBondContact O-N 2.84Å; N78-Q80 VanDerWaalsContact C-N 3.26Å; N78-Q80 PolarHBondContact O-N 2.84Å; N78-Y81 WeakPolarHBondContact O-CB 3.41Å; N78-Y81 PolarHBondContact O-N 3.41Å; N78-Y81 VanDerWaalsContact O-N 3.17Å; N78-H82 PolarHBondContact O-CD2 2.99Å; N78-H82 PolarHBondContact O-N 2.87Å; N78-H82 PolarHBondContact OD1-CD2 3.12Å; N78-H82 PolarHBondContact OD1-NE2 2.83Å; N78-Q93 PolarHBondContact ND2-OE1 3.17Å; N78-L94 HydrophobicContact CB-CB 4Å; N78-L94 WeakPolarHBondContact OD1-CB 3.14Å; N78-L94 PolarHBondContact OD1-N 2.93Å; N78-L94 VanDerWaalsContact OD1-N 3.13Å |
| 79 | S | 89.8 | Confident | 80.9 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.3 | -33.6 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | S75 K83 | S75-S79 PolarHBondContact O-N 3.16Å; S75-S79 PolarHBondContact O-OG 3.13Å; S79-K83 WeakPolarHBondContact O-CB 3.35Å; S79-K83 PolarHBondContact O-N 3.18Å |
| 80 | Q | 91.3 | Very high | 82.4 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70 | -42.9 | 172.1 | -176.7 | 176.2 | 4.3 | 0 | 0 | 111.9 | K76 S77 N78 K83 I84 | K76-Q80 PolarHBondContact O-N 3.18Å; K76-Q80 VanDerWaalsContact O-N 3.13Å; S77-Q80 WeakPolarHBondContact O-CB 3.38Å; S77-Q80 PolarHBondContact O-N 2.78Å; N78-Q80 VanDerWaalsContact C-N 3.26Å; N78-Q80 PolarHBondContact O-N 2.84Å; Q80-K83 PolarHBondContact O-N 2.56Å; Q80-I84 HydrophobicContact CG-CD1 3.86Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.8Å; Q80-I84 VanDerWaalsContact O-N 3.08Å |
| 81 | Y | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.7 | -55.8 | 176.5 | 173.8 | -123.3 | 0 | 0 | 0 | 111.5 | S77 N78 K83 I84 F85 I88 E92 L94 F113 S115 C120 | S77-Y81 PolarHBondContact O-N 2.92Å; N78-Y81 WeakPolarHBondContact O-CB 3.41Å; N78-Y81 PolarHBondContact O-N 3.41Å; N78-Y81 VanDerWaalsContact O-N 3.17Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 2.79Å; Y81-I84 PolarHBondContact O-N 2.73Å; Y81-F85 AromaticContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CE2 4.05Å; Y81-F85 AromaticContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CE2 4.23Å; Y81-F85 HydrophobicContact CE2-CG 4.43Å; Y81-F85 PolarHBondContact O-N 2.79Å; Y81-I88 HydrophobicContact CE1-CG2 4.4Å; Y81-I88 HydrophobicContact CE2-CD1 4.1Å; Y81-I88 WeakPolarHBondContact OH-CD1 3.4Å; Y81-E92 HydrophobicContact CE1-CG 4.43Å; Y81-L94 HydrophobicContact CD1-CB 4.21Å; Y81-L94 HydrophobicContact CD1-CD1 4.44Å; Y81-L94 HydrophobicContact CD2-CD1 4.32Å; Y81-L94 HydrophobicContact CG-CD1 4.19Å; Y81-F113 HydrophobicContact CD2-CB 3.56Å; Y81-F113 HydrophobicContact CD2-CD1 4.14Å; Y81-F113 AromaticContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CE2-CB 3.7Å; Y81-F113 HydrophobicContact CE2-CG 4.48Å; Y81-S115 PolarHBondContact OH-OG 2.83Å; Y81-C120 HydrophobicContact CE2-CB 3.92Å |
| 82 | H | 93.6 | Very high | 85.7 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 17% | 0.171 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -24.9 | 177.9 | -73.1 | -57.7 | 0 | 0 | 0 | 114.3 | N78 S89 E92 | N78-H82 PolarHBondContact O-CD2 2.99Å; N78-H82 PolarHBondContact O-N 2.87Å; N78-H82 PolarHBondContact OD1-CD2 3.12Å; N78-H82 PolarHBondContact OD1-NE2 2.83Å; H82-S89 PolarHBondContact CE1-O 2.97Å; H82-E92 PolarHBondContact CE1-O 2.78Å; H82-E92 PolarHBondContact NE2-O 2.8Å |
| 83 | K | 93.3 | Very high | 87.1 | Confident | 170 Ų | 170 | 79 Ų | 79 | 74% | 0.739 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.9 | -29.2 | 171.8 | -173.3 | 172.7 | -178.2 | 175.9 | 0 | 112.5 | S79 Q80 Y81 | S79-K83 WeakPolarHBondContact O-CB 3.35Å; S79-K83 PolarHBondContact O-N 3.18Å; Q80-K83 PolarHBondContact O-N 2.56Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 2.79Å |
| 84 | I | 93.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -83.4 | -48.5 | 178 | -65.4 | 165.2 | 0 | 0 | 0 | 110.5 | Q80 Y81 F113 H122 K131 | Q80-I84 HydrophobicContact CG-CD1 3.86Å; Q80-I84 WeakPolarHBondContact O-CG1 3.49Å; Q80-I84 PolarHBondContact O-N 2.8Å; Q80-I84 VanDerWaalsContact O-N 3.08Å; Y81-I84 PolarHBondContact O-N 2.73Å; I84-F113 HydrophobicContact CD1-CE2 4.2Å; I84-F113 HydrophobicContact CD1-CZ 4.01Å; I84-H122 HydrophobicContact CG2-CB 3.76Å; I84-K131 HydrophobicContact CG2-CD 4.04Å; I84-K131 HydrophobicContact CG2-CG 4.45Å; I84-K131 PolarHBondContact O-NZ 3.34Å |
| 85 | F | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -109 | 78.3 | -174.3 | -57.8 | -83.2 | 0 | 0 | 0 | 110.8 | Y81 E87 I88 F113 C120 H122 K131 | Y81-F85 AromaticContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CD2 3.58Å; Y81-F85 HydrophobicContact CD2-CE2 4.05Å; Y81-F85 AromaticContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CD2 3.75Å; Y81-F85 HydrophobicContact CE2-CE2 4.23Å; Y81-F85 HydrophobicContact CE2-CG 4.43Å; Y81-F85 PolarHBondContact O-N 2.79Å; F85-E87 PolarHBondContact O-N 3.09Å; F85-E87 VanDerWaalsContact O-N 3.15Å; F85-I88 HydrophobicContact CB-CD1 3.65Å; F85-I88 HydrophobicContact CB-CG1 4.02Å; F85-I88 HydrophobicContact CG-CD1 4.16Å; F85-I88 PolarHBondContact O-N 3.17Å; F85-F113 AromaticContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CE2 4.43Å; F85-C120 HydrophobicContact CD1-CB 4.23Å; F85-C120 HydrophobicContact CD2-CB 4.22Å; F85-C120 HydrophobicContact CE1-CB 3.81Å; F85-C120 HydrophobicContact CE2-CB 3.81Å; F85-C120 HydrophobicContact CG-CB 4.42Å; F85-C120 HydrophobicContact CZ-CB 3.6Å; F85-H122 HydrophobicContact CE2-CB 4.23Å; F85-H122 HydrophobicContact CZ-CB 3.79Å; F85-K131 HydrophobicContact CD1-CD 4.49Å; F85-K131 HydrophobicContact CE1-CB 3.95Å; F85-K131 HydrophobicContact CE1-CD 4.37Å; F85-K131 HydrophobicContact CE1-CG 4.21Å | ||
| 86 | K | 90.3 | Very high | 90.5 | Very high | 186 Ų | 186 | 76.4 Ų | 76.4 | 81% | 0.809 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.4 | -178.9 | -62.8 | -177 | 179.3 | -178.9 | 0 | 114.4 | ||
| 87 | E | 88.2 | Confident | 91.1 | Very high | 116 Ų | 116 | 71.1 Ų | 71.1 | 54% | 0.542 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -9.3 | -178.7 | 65.2 | -139.6 | 141.3 | 0 | 0 | 113.6 | F85 | F85-E87 PolarHBondContact O-N 3.09Å; F85-E87 VanDerWaalsContact O-N 3.15Å |
| 88 | I | 90.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.051 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -98.3 | 140 | -177.9 | -56.8 | -179.5 | 0 | 0 | 0 | 109 | Y81 F85 E92 W118 C120 | Y81-I88 HydrophobicContact CE1-CG2 4.4Å; Y81-I88 HydrophobicContact CE2-CD1 4.1Å; Y81-I88 WeakPolarHBondContact OH-CD1 3.4Å; F85-I88 HydrophobicContact CB-CD1 3.65Å; F85-I88 HydrophobicContact CB-CG1 4.02Å; F85-I88 HydrophobicContact CG-CD1 4.16Å; F85-I88 PolarHBondContact O-N 3.17Å; I88-E92 HydrophobicContact CG2-CB 3.74Å; I88-E92 HydrophobicContact CG2-CG 3.79Å; I88-W118 HydrophobicContact CD1-CB 4.45Å; I88-W118 HydrophobicContact CD1-CD2 4.46Å; I88-W118 HydrophobicContact CD1-CG 4.34Å; I88-C120 WeakPolarHBondContact CD1-SG 3.37Å |
| 89 | S | 89.3 | Confident | 91.8 | Very high | 58 Ų | 58 | 74.4 Ų | 74.4 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | trans | -64.7 | 142.2 | -179.5 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | H82 E91 E92 | H82-S89 PolarHBondContact CE1-O 2.97Å; S89-E91 WeakPolarHBondContact CB-OE2 3.38Å; S89-E91 PolarHBondContact O-N 3.35Å; S89-E91 PolarHBondContact OG-N 2.55Å; S89-E91 PolarHBondContact OG-OE2 3.5Å; S89-E92 WeakPolarHBondContact O-CB 3.49Å; S89-E92 PolarHBondContact O-N 3.15Å | ||
| 90 | K | 86.8 | Confident | 92 | Very high | 179 Ų | 179 | 70.4 Ų | 70.4 | 78% | 0.778 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.3 | 177.7 | -60.2 | 176.8 | -174.2 | 171 | 0 | 113.3 | E92 Q93 | K90-E92 VanDerWaalsContact C-N 3.26Å; K90-Q93 PolarHBondContact O-NE2 3.49Å |
| 91 | E | 87.3 | Confident | 92.2 | Very high | 160 Ų | 160 | 66.3 Ų | 66.3 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.2 | 170.5 | -66.2 | 113.3 | -154.6 | 0 | 0 | 111.6 | S89 Q93 | S89-E91 WeakPolarHBondContact CB-OE2 3.38Å; S89-E91 PolarHBondContact O-N 3.35Å; S89-E91 PolarHBondContact OG-N 2.55Å; S89-E91 PolarHBondContact OG-OE2 3.5Å; E91-Q93 PolarHBondContact O-N 3.1Å; E91-Q93 PolarHBondContact O-NE2 3.18Å |
| 92 | E | 91.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63 | 119.8 | -175.5 | -171.4 | 71.1 | -177.9 | 0 | 0 | 110.8 | Y81 H82 I88 S89 K90 S115 D116 H117 | Y81-E92 HydrophobicContact CE1-CG 4.43Å; H82-E92 PolarHBondContact CE1-O 2.78Å; H82-E92 PolarHBondContact NE2-O 2.8Å; I88-E92 HydrophobicContact CG2-CB 3.74Å; I88-E92 HydrophobicContact CG2-CG 3.79Å; S89-E92 WeakPolarHBondContact O-CB 3.49Å; S89-E92 PolarHBondContact O-N 3.15Å; K90-E92 VanDerWaalsContact C-N 3.26Å; E92-S115 VanDerWaalsContact CD-OG 3.31Å; E92-S115 WeakPolarHBondContact CG-OG 3.2Å; E92-S115 WeakPolarHBondContact OE1-CB 3.09Å; E92-S115 PolarHBondContact OE1-OG 2.83Å; E92-D116 PolarHBondContact OE1-N 2.86Å; E92-H117 IonicContact OE1-CG 3.25Å; E92-H117 PolarHBondContact OE1-N 3.49Å; E92-H117 IonicContact OE1-ND1 3.82Å; E92-H117 IonicContact OE2-CE1 3.24Å; E92-H117 IonicContact OE2-CG 2.76Å; E92-H117 IonicContact OE2-ND1 3.93Å; E92-H117 PolarHBondContact OE2-ND1 2.93Å |
| 93 | Q | 91.7 | Very high | 92.1 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 123.4 | -177 | -61.6 | -54.7 | -68.9 | 0 | 0 | 111.3 | N78 K90 E91 R95 S115 | N78-Q93 PolarHBondContact ND2-OE1 3.17Å; K90-Q93 PolarHBondContact O-NE2 3.49Å; E91-Q93 PolarHBondContact O-N 3.1Å; E91-Q93 PolarHBondContact O-NE2 3.18Å; Q93-R95 VanDerWaalsContact CB-NH2 3.35Å; Q93-R95 PolarHBondContact O-N 3Å; Q93-R95 VanDerWaalsContact O-N 3.15Å; Q93-S115 VanDerWaalsContact O-CB 3.24Å; Q93-S115 WeakPolarHBondContact O-CB 3.48Å |
| 94 | L | 93.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 121.9 | 167 | -174.6 | 70.4 | 0 | 0 | 0 | 110.2 | N78 Y81 Q96 F113 | N78-L94 HydrophobicContact CB-CB 4Å; N78-L94 WeakPolarHBondContact OD1-CB 3.14Å; N78-L94 PolarHBondContact OD1-N 2.93Å; N78-L94 VanDerWaalsContact OD1-N 3.13Å; Y81-L94 HydrophobicContact CD1-CB 4.21Å; Y81-L94 HydrophobicContact CD1-CD1 4.44Å; Y81-L94 HydrophobicContact CD2-CD1 4.32Å; Y81-L94 HydrophobicContact CG-CD1 4.19Å; L94-Q96 WeakPolarHBondContact CD1-O 3.4Å; L94-F113 HydrophobicContact CD1-CB 3.72Å; L94-F113 HydrophobicContact CD1-CD1 3.88Å; L94-F113 HydrophobicContact CD1-CG 4.31Å; L94-F113 HydrophobicContact CD2-CD1 4.13Å |
| 95 | R | 93.2 | Very high | 91.6 | Very high | 101 Ų | 101 | 70.4 Ų | 70.4 | 38% | 0.381 | 34% | 0.341 | S | S | . | . | trans | -89.8 | -50.4 | 175 | -62.3 | -71.5 | 81.7 | 136 | -12.8 | 111.3 | Q93 V114 D116 F178 | Q93-R95 VanDerWaalsContact CB-NH2 3.35Å; Q93-R95 PolarHBondContact O-N 3Å; Q93-R95 VanDerWaalsContact O-N 3.15Å; R95-V114 WeakPolarHBondContact CA-O 3.34Å; R95-V114 WeakPolarHBondContact CB-O 3.4Å; R95-V114 PolarHBondContact N-O 3.44Å; R95-D116 WeakPolarHBondContact CD-OD1 3.22Å; R95-D116 VanDerWaalsContact CG-OD1 3.3Å; R95-D116 WeakPolarHBondContact CG-OD1 3.3Å; R95-D116 IonicContact CZ-OD2 3.79Å; R95-D116 IonicContact NE-OD2 2.88Å; R95-D116 IonicContact NH1-OD1 3.36Å; R95-D116 IonicContact NH1-OD2 3.07Å; R95-D116 PolarHBondContact NH1-OD2 2.94Å; R95-F178 HydrophobicContact CB-CE1 4.39Å; R95-F178 HydrophobicContact CB-CZ 3.74Å; R95-F178 HydrophobicContact CG-CZ 4.44Å | ||
| 96 | Q | 93.3 | Very high | 91.4 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.1 | -175.5 | -155.9 | 155.9 | 20.8 | 0 | 0 | 111.6 | L94 Y98 V114 F178 | L94-Q96 WeakPolarHBondContact CD1-O 3.4Å; Q96-Y98 HydrophobicContact CB-CE2 4.23Å; Q96-Y98 VanDerWaalsContact CD-OH 3.28Å; Q96-Y98 HydrophobicContact CG-CE1 4.07Å; Q96-Y98 HydrophobicContact CG-CE2 4.11Å; Q96-Y98 PolarHBondContact OE1-OH 2.87Å; Q96-V114 PolarHBondContact N-O 3.47Å; Q96-V114 VanDerWaalsContact N-O 3.1Å; Q96-V114 PolarHBondContact O-N 3.01Å; Q96-F178 HydrophobicContact CB-CD1 4.38Å; Q96-F178 HydrophobicContact CB-CE1 3.8Å; Q96-F178 HydrophobicContact CB-CZ 4.29Å |
| 97 | S | 94.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.6 | 172.1 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | M112 | S97-M112 CarbonylContact C-O 3.55Å; S97-M112 VanDerWaalsContact CA-O 3.27Å; S97-M112 WeakPolarHBondContact CA-O 3.34Å |
| 98 | Y | 95.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 124.5 | -175.7 | -56.2 | -79.9 | 0 | 0 | 0 | 110.6 | Q96 C100 R111 M112 V114 T175 F178 | Q96-Y98 HydrophobicContact CB-CE2 4.23Å; Q96-Y98 VanDerWaalsContact CD-OH 3.28Å; Q96-Y98 HydrophobicContact CG-CE1 4.07Å; Q96-Y98 HydrophobicContact CG-CE2 4.11Å; Q96-Y98 PolarHBondContact OE1-OH 2.87Å; Y98-C100 PolarHBondContact O-N 3.31Å; Y98-R111 WeakPolarHBondContact O-CA 3.38Å; Y98-M112 PolarHBondContact N-O 2.87Å; Y98-M112 PolarHBondContact O-N 3.34Å; Y98-V114 HydrophobicContact CD2-CG2 4.13Å; Y98-V114 HydrophobicContact CE2-CG2 3.97Å; Y98-T175 HydrophobicContact CD1-CG2 4.38Å; Y98-T175 WeakPolarHBondContact CD1-OG1 3.45Å; Y98-T175 HydrophobicContact CD2-CG2 3.93Å; Y98-T175 HydrophobicContact CE1-CG2 4.2Å; Y98-T175 WeakPolarHBondContact CE1-OG1 3Å; Y98-T175 HydrophobicContact CE2-CG2 3.71Å; Y98-T175 HydrophobicContact CG-CG2 4.24Å; Y98-F178 HydrophobicContact CE2-CD1 4.26Å; Y98-F178 VanDerWaalsContact OH-CD1 3.23Å; Y98-F178 WeakPolarHBondContact OH-CD1 3.32Å |
| 99 | T | 95.3 | Very high | 91.9 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.4 | 165.3 | -53.2 | 0 | 0 | 0 | 0 | 109 | ||
| 100 | C | 94.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 173.3 | -179 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | Y98 G110 V167 F169 | Y98-C100 PolarHBondContact O-N 3.31Å; C100-G110 PolarHBondContact N-O 3.26Å; C100-G110 CarbonylContact O-C 3.48Å; C100-G110 PolarHBondContact O-N 2.92Å; C100-V167 WeakPolarHBondContact CA-O 3.43Å; C100-V167 WeakPolarHBondContact CB-O 3.41Å; C100-F169 HydrophobicContact CB-CD1 3.89Å; C100-F169 HydrophobicContact CB-CE1 3.66Å; C100-F169 HydrophobicContact CB-CE2 4.38Å; C100-F169 HydrophobicContact CB-CG 4.35Å; C100-F169 HydrophobicContact CB-CZ 3.93Å |
| 101 | A | 94.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L107 Y108 F166 V167 | A101-L107 HydrophobicContact CB-CD2 4.27Å; A101-Y108 CarbonylContact C-O 3.56Å; A101-Y108 VanDerWaalsContact CA-O 3.22Å; A101-Y108 WeakPolarHBondContact CA-O 3.49Å; A101-F166 CarbonylContact O-C 3.57Å; A101-F166 WeakPolarHBondContact O-CA 3.46Å; A101-V167 HydrophobicContact CB-CG2 3.96Å; A101-V167 PolarHBondContact N-O 2.83Å; A101-V167 PolarHBondContact O-N 2.93Å |
| 102 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125 | 171.2 | 173.9 | 74.4 | 0 | 0 | 0 | 109.3 | K104 Y108 F121 I132 Y164 F166 | L102-K104 HydrophobicContact CD2-CD 4.1Å; L102-K104 HydrophobicContact CD2-CG 4.18Å; L102-K104 HydrophobicContact CG-CG 4.32Å; L102-Y108 PolarHBondContact N-O 2.71Å; L102-Y108 PolarHBondContact O-N 2.78Å; L102-F121 HydrophobicContact CB-CD1 4.13Å; L102-F121 HydrophobicContact CB-CE1 3.63Å; L102-F121 HydrophobicContact CB-CZ 3.89Å; L102-F121 HydrophobicContact CD2-CD1 4.28Å; L102-F121 HydrophobicContact CD2-CE1 4.29Å; L102-I132 HydrophobicContact CD2-CD1 3.44Å; L102-I132 VanDerWaalsContact CD2-CD1 3.44Å; L102-Y164 HydrophobicContact CD1-CD1 4.4Å; L102-F166 HydrophobicContact CB-CD1 4.17Å; L102-F166 HydrophobicContact CB-CE1 4.16Å; L102-F166 HydrophobicContact CD1-CD1 3.94Å; L102-F166 HydrophobicContact CD1-CE1 3.67Å; L102-F166 HydrophobicContact CD1-CE2 4.48Å; L102-F166 HydrophobicContact CD1-CG 4.46Å; L102-F166 HydrophobicContact CD1-CZ 3.97Å; L102-F166 HydrophobicContact CG-CE1 4.43Å |
| 103 | Q | 91.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 39% | 0.388 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.5 | 170.5 | -177.9 | 73.3 | 67.9 | 0 | 0 | 109.7 | L107 V165 | Q103-L107 HydrophobicContact CB-CD2 4.08Å; Q103-L107 VanDerWaalsContact OE1-CD2 3.26Å; Q103-V165 HydrophobicContact CB-CB 4.15Å; Q103-V165 HydrophobicContact CB-CG1 4.18Å; Q103-V165 WeakPolarHBondContact CB-O 3.47Å; Q103-V165 PolarHBondContact N-O 3.13Å |
| 104 | K | 88.9 | Confident | 93.5 | Very high | 106 Ų | 106 | 54 Ų | 54 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -120.7 | -133.3 | 158.6 | -73.6 | -176.9 | 165.9 | -177.3 | 0 | 107 | L102 I106 Y108 | L102-K104 HydrophobicContact CD2-CD 4.1Å; L102-K104 HydrophobicContact CD2-CG 4.18Å; L102-K104 HydrophobicContact CG-CG 4.32Å; K104-I106 PolarHBondContact N-O 2.77Å; K104-I106 PolarHBondContact O-N 3.13Å; K104-Y108 HydrophobicContact CB-CD2 4.28Å; K104-Y108 HydrophobicContact CB-CE2 4.03Å |
| 105 | D | 86.6 | Confident | 93.5 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 66% | 0.663 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -59.2 | -31.8 | 172.7 | -39.9 | -74.5 | 0 | 0 | 0 | 111.7 | ||
| 106 | I | 87.8 | Confident | 93.5 | Very high | 70 Ų | 70 | 51.9 Ų | 51.9 | 36% | 0.359 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -132 | 171.4 | 172 | 61.5 | 173.6 | 0 | 0 | 0 | 110.6 | K104 Y108 F126 | K104-I106 PolarHBondContact N-O 2.77Å; K104-I106 PolarHBondContact O-N 3.13Å; I106-Y108 HydrophobicContact CD1-CE1 4.04Å; I106-Y108 HydrophobicContact CD1-CE2 4.27Å; I106-Y108 HydrophobicContact CG1-CD2 4.08Å; I106-Y108 HydrophobicContact CG1-CE1 4.18Å; I106-Y108 HydrophobicContact CG1-CE2 3.52Å; I106-Y108 WeakPolarHBondContact O-CD2 3.3Å; I106-Y108 PolarHBondContact O-N 2.87Å; I106-F126 HydrophobicContact CD1-CD2 4.02Å; I106-F126 HydrophobicContact CD1-CE2 3.84Å |
| 107 | L | 89.7 | Confident | 93.6 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 109.4 | 172.2 | -74.4 | 173.7 | 0 | 0 | 0 | 111.2 | A101 Q103 Q109 V167 | A101-L107 HydrophobicContact CB-CD2 4.27Å; Q103-L107 HydrophobicContact CB-CD2 4.08Å; Q103-L107 VanDerWaalsContact OE1-CD2 3.26Å; L107-Q109 PolarHBondContact O-N 3.39Å; L107-V167 HydrophobicContact CD2-CG2 3.49Å; L107-V167 VanDerWaalsContact CD2-CG2 3.49Å |
| 108 | Y | 94.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 98.9 | 173.5 | -70.9 | -81.9 | 0 | 0 | 0 | 109.7 | A101 L102 K104 I106 F121 | A101-Y108 CarbonylContact C-O 3.56Å; A101-Y108 VanDerWaalsContact CA-O 3.22Å; A101-Y108 WeakPolarHBondContact CA-O 3.49Å; L102-Y108 PolarHBondContact N-O 2.71Å; L102-Y108 PolarHBondContact O-N 2.78Å; K104-Y108 HydrophobicContact CB-CD2 4.28Å; K104-Y108 HydrophobicContact CB-CE2 4.03Å; I106-Y108 HydrophobicContact CD1-CE1 4.04Å; I106-Y108 HydrophobicContact CD1-CE2 4.27Å; I106-Y108 HydrophobicContact CG1-CD2 4.08Å; I106-Y108 HydrophobicContact CG1-CE1 4.18Å; I106-Y108 HydrophobicContact CG1-CE2 3.52Å; I106-Y108 WeakPolarHBondContact O-CD2 3.3Å; I106-Y108 PolarHBondContact O-N 2.87Å; Y108-F121 WeakPolarHBondContact O-CZ 3.4Å |
| 109 | Q | 94.7 | Very high | 93.7 | Very high | 140 Ų | 140 | 53.9 Ų | 53.9 | 65% | 0.654 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 130.6 | 177.6 | -174.7 | 178.3 | -2.3 | 0 | 0 | 111.3 | L107 S123 V125 | L107-Q109 PolarHBondContact O-N 3.39Å; Q109-S123 WeakPolarHBondContact O-CB 3.35Å; Q109-S123 PolarHBondContact O-OG 2.82Å; Q109-V125 HydrophobicContact CB-CG2 4.29Å; Q109-V125 VanDerWaalsContact O-CG2 3.31Å; Q109-V125 WeakPolarHBondContact O-CG2 3.41Å |
| 110 | G | 95.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | -151.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C100 H122 | C100-G110 PolarHBondContact N-O 3.26Å; C100-G110 CarbonylContact O-C 3.48Å; C100-G110 PolarHBondContact O-N 2.92Å; G110-H122 CarbonylContact C-O 3.55Å; G110-H122 VanDerWaalsContact CA-O 3.23Å; G110-H122 WeakPolarHBondContact CA-O 3.43Å |
| 111 | R | 95.7 | Very high | 93.9 | Very high | 131 Ų | 131 | 49.6 Ų | 49.6 | 49% | 0.494 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134.5 | 174.4 | -58.3 | -174.2 | -165.9 | -158.8 | 2.9 | 110.3 | Y98 F113 F121 H122 | Y98-R111 WeakPolarHBondContact O-CA 3.38Å; R111-F113 HydrophobicContact CB-CD2 4.42Å; R111-F113 HydrophobicContact CB-CE2 3.76Å; R111-F113 HydrophobicContact CB-CZ 4.02Å; R111-F113 WeakPolarHBondContact O-CD2 3.21Å; R111-F121 WeakPolarHBondContact O-CA 3.21Å; R111-F121 WeakPolarHBondContact O-CD2 3.03Å; R111-H122 PolarHBondContact N-O 2.83Å; R111-H122 PolarHBondContact O-N 3.01Å |
| 112 | M | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.2 | 164.1 | 178.7 | 178.5 | -78.1 | 0 | 0 | 108.6 | S97 Y98 V114 I119 C120 F121 I157 F166 F169 L179 | S97-M112 CarbonylContact C-O 3.55Å; S97-M112 VanDerWaalsContact CA-O 3.27Å; S97-M112 WeakPolarHBondContact CA-O 3.34Å; Y98-M112 PolarHBondContact N-O 2.87Å; Y98-M112 PolarHBondContact O-N 3.34Å; M112-V114 HydrophobicContact CG-CG2 3.93Å; M112-V114 HydrophobicContact SD-CG2 4.16Å; M112-I119 HydrophobicContact CE-CG2 3.86Å; M112-I119 HydrophobicContact CG-CG2 3.97Å; M112-I119 HydrophobicContact SD-CG2 3.82Å; M112-C120 CarbonylContact C-O 3.58Å; M112-C120 VanDerWaalsContact CA-O 3.27Å; M112-C120 WeakPolarHBondContact CA-O 3.37Å; M112-F121 HydrophobicContact CB-CD2 4.36Å; M112-I157 HydrophobicContact CE-CD1 4.02Å; M112-F166 HydrophobicContact CE-CB 4.44Å; M112-F166 HydrophobicContact CE-CD1 3.79Å; M112-F166 HydrophobicContact CE-CD2 3.57Å; M112-F166 HydrophobicContact CE-CE1 3.81Å; M112-F166 HydrophobicContact CE-CE2 3.59Å; M112-F166 HydrophobicContact CE-CG 3.67Å; M112-F166 HydrophobicContact CE-CZ 3.71Å; M112-F169 HydrophobicContact CE-CZ 4.22Å; M112-F169 HydrophobicContact SD-CE1 4.34Å; M112-F169 HydrophobicContact SD-CZ 4.42Å; M112-L179 HydrophobicContact SD-CD1 4.15Å |
| 113 | F | 96.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130 | 175.8 | -64.6 | -91.5 | 0 | 0 | 0 | 106.9 | Y81 I84 F85 L94 R111 C120 H122 | Y81-F113 HydrophobicContact CD2-CB 3.56Å; Y81-F113 HydrophobicContact CD2-CD1 4.14Å; Y81-F113 AromaticContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CD2-CG 3.9Å; Y81-F113 HydrophobicContact CE2-CB 3.7Å; Y81-F113 HydrophobicContact CE2-CG 4.48Å; I84-F113 HydrophobicContact CD1-CE2 4.2Å; I84-F113 HydrophobicContact CD1-CZ 4.01Å; F85-F113 AromaticContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CD2 3.93Å; F85-F113 HydrophobicContact CE2-CE2 4.43Å; L94-F113 HydrophobicContact CD1-CB 3.72Å; L94-F113 HydrophobicContact CD1-CD1 3.88Å; L94-F113 HydrophobicContact CD1-CG 4.31Å; L94-F113 HydrophobicContact CD2-CD1 4.13Å; R111-F113 HydrophobicContact CB-CD2 4.42Å; R111-F113 HydrophobicContact CB-CE2 3.76Å; R111-F113 HydrophobicContact CB-CZ 4.02Å; R111-F113 WeakPolarHBondContact O-CD2 3.21Å; F113-C120 HydrophobicContact CB-CB 4.4Å; F113-C120 PolarHBondContact N-O 2.95Å; F113-C120 PolarHBondContact O-N 3.37Å; F113-H122 HydrophobicContact CE2-CB 4.36Å |
| 114 | V | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.2 | -175.4 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | R95 Q96 Y98 M112 F178 L179 L182 | R95-V114 WeakPolarHBondContact CA-O 3.34Å; R95-V114 WeakPolarHBondContact CB-O 3.4Å; R95-V114 PolarHBondContact N-O 3.44Å; Q96-V114 PolarHBondContact N-O 3.47Å; Q96-V114 VanDerWaalsContact N-O 3.1Å; Q96-V114 PolarHBondContact O-N 3.01Å; Y98-V114 HydrophobicContact CD2-CG2 4.13Å; Y98-V114 HydrophobicContact CE2-CG2 3.97Å; M112-V114 HydrophobicContact CG-CG2 3.93Å; M112-V114 HydrophobicContact SD-CG2 4.16Å; V114-F178 HydrophobicContact CB-CE1 4.05Å; V114-F178 HydrophobicContact CG1-CD1 4.39Å; V114-F178 HydrophobicContact CG1-CE1 3.69Å; V114-L179 HydrophobicContact CB-CD2 4.4Å; V114-L179 HydrophobicContact CG1-CD2 3.68Å; V114-L179 HydrophobicContact CG2-CD2 3.79Å; V114-L182 HydrophobicContact CG1-CD1 3.33Å |
| 115 | S | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -119.5 | -175.1 | 169.8 | 62 | 0 | 0 | 0 | 0 | 109.8 | Y81 E92 Q93 H117 W118 | Y81-S115 PolarHBondContact OH-OG 2.83Å; E92-S115 VanDerWaalsContact CD-OG 3.31Å; E92-S115 WeakPolarHBondContact CG-OG 3.2Å; E92-S115 WeakPolarHBondContact OE1-CB 3.09Å; E92-S115 PolarHBondContact OE1-OG 2.83Å; Q93-S115 VanDerWaalsContact O-CB 3.24Å; Q93-S115 WeakPolarHBondContact O-CB 3.48Å; S115-H117 PolarHBondContact O-N 2.89Å; S115-W118 PolarHBondContact N-O 2.83Å; S115-W118 PolarHBondContact OG-O 2.82Å | ||
| 116 | D | 93 | Very high | 94 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -70.3 | -31.4 | -171.6 | -64.2 | -51.3 | 0 | 0 | 0 | 112.8 | E92 R95 | E92-D116 PolarHBondContact OE1-N 2.86Å; R95-D116 WeakPolarHBondContact CD-OD1 3.22Å; R95-D116 VanDerWaalsContact CG-OD1 3.3Å; R95-D116 WeakPolarHBondContact CG-OD1 3.3Å; R95-D116 IonicContact CZ-OD2 3.79Å; R95-D116 IonicContact NE-OD2 2.88Å; R95-D116 IonicContact NH1-OD1 3.36Å; R95-D116 IonicContact NH1-OD2 3.07Å; R95-D116 PolarHBondContact NH1-OD2 2.94Å |
| 117 | H | 94.3 | Very high | 93.9 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 55% | 0.546 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -113.4 | -8.8 | 179.8 | -51.3 | 104.2 | 0 | 0 | 0 | 114.6 | E92 S115 V136 | E92-H117 IonicContact OE1-CG 3.25Å; E92-H117 PolarHBondContact OE1-N 3.49Å; E92-H117 IonicContact OE1-ND1 3.82Å; E92-H117 IonicContact OE2-CE1 3.24Å; E92-H117 IonicContact OE2-CG 2.76Å; E92-H117 IonicContact OE2-ND1 3.93Å; E92-H117 PolarHBondContact OE2-ND1 2.93Å; S115-H117 PolarHBondContact O-N 2.89Å; H117-V136 VanDerWaalsContact C-CG2 3.47Å; H117-V136 PolarHBondContact O-N 3.31Å |
| 118 | W | 95.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 56 Ų | 56 | 28% | 0.284 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135.8 | -173.9 | -62.9 | 85.7 | 0 | 0 | 0 | 114.1 | I88 S115 A133 I134 P135 | I88-W118 HydrophobicContact CD1-CB 4.45Å; I88-W118 HydrophobicContact CD1-CD2 4.46Å; I88-W118 HydrophobicContact CD1-CG 4.34Å; S115-W118 PolarHBondContact N-O 2.83Å; S115-W118 PolarHBondContact OG-O 2.82Å; W118-A133 HydrophobicContact CE3-CB 3.86Å; W118-A133 HydrophobicContact CZ3-CB 3.88Å; W118-I134 WeakPolarHBondContact CA-O 3.34Å; W118-P135 HydrophobicContact CE3-CB 4.49Å; W118-P135 HydrophobicContact CE3-CG 4.13Å; W118-P135 HydrophobicContact CH2-CG 3.88Å; W118-P135 HydrophobicContact CZ3-CB 4.38Å; W118-P135 HydrophobicContact CZ3-CG 3.61Å |
| 119 | I | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.4 | 162 | -54.6 | -179.5 | 0 | 0 | 0 | 107.8 | M112 I134 V136 I139 I157 L179 | M112-I119 HydrophobicContact CE-CG2 3.86Å; M112-I119 HydrophobicContact CG-CG2 3.97Å; M112-I119 HydrophobicContact SD-CG2 3.82Å; I119-I134 HydrophobicContact CB-CB 4.48Å; I119-I134 PolarHBondContact N-O 3.25Å; I119-I134 WeakPolarHBondContact O-CB 3.49Å; I119-I134 PolarHBondContact O-N 3.34Å; I119-V136 HydrophobicContact CG1-CG2 4.19Å; I119-I139 HydrophobicContact CD1-CD1 3.41Å; I119-I139 VanDerWaalsContact CD1-CD1 3.41Å; I119-I139 HydrophobicContact CG1-CD1 4.19Å; I119-I157 HydrophobicContact CD1-CD1 3.97Å; I119-I157 HydrophobicContact CG2-CD1 4.27Å; I119-L179 HydrophobicContact CD1-CD1 4.33Å; I119-L179 HydrophobicContact CD1-CD2 3.63Å; I119-L179 HydrophobicContact CD1-CG 4.45Å; I119-L179 HydrophobicContact CG1-CD2 4.06Å |
| 120 | C | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 153.7 | -178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | Y81 F85 I88 M112 F113 I132 | Y81-C120 HydrophobicContact CE2-CB 3.92Å; F85-C120 HydrophobicContact CD1-CB 4.23Å; F85-C120 HydrophobicContact CD2-CB 4.22Å; F85-C120 HydrophobicContact CE1-CB 3.81Å; F85-C120 HydrophobicContact CE2-CB 3.81Å; F85-C120 HydrophobicContact CG-CB 4.42Å; F85-C120 HydrophobicContact CZ-CB 3.6Å; I88-C120 WeakPolarHBondContact CD1-SG 3.37Å; M112-C120 CarbonylContact C-O 3.58Å; M112-C120 VanDerWaalsContact CA-O 3.27Å; M112-C120 WeakPolarHBondContact CA-O 3.37Å; F113-C120 HydrophobicContact CB-CB 4.4Å; F113-C120 PolarHBondContact N-O 2.95Å; F113-C120 PolarHBondContact O-N 3.37Å; C120-I132 CarbonylContact C-O 3.45Å; C120-I132 VanDerWaalsContact CA-O 3.22Å; C120-I132 WeakPolarHBondContact CA-O 3.18Å |
| 121 | F | 97.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.6 | 176.2 | 177.9 | -98.1 | 0 | 0 | 0 | 110.7 | L102 Y108 R111 M112 K131 I132 F166 | L102-F121 HydrophobicContact CB-CD1 4.13Å; L102-F121 HydrophobicContact CB-CE1 3.63Å; L102-F121 HydrophobicContact CB-CZ 3.89Å; L102-F121 HydrophobicContact CD2-CD1 4.28Å; L102-F121 HydrophobicContact CD2-CE1 4.29Å; Y108-F121 WeakPolarHBondContact O-CZ 3.4Å; R111-F121 WeakPolarHBondContact O-CA 3.21Å; R111-F121 WeakPolarHBondContact O-CD2 3.03Å; M112-F121 HydrophobicContact CB-CD2 4.36Å; F121-K131 CarbonylContact O-C 3.56Å; F121-K131 WeakPolarHBondContact O-CA 3.24Å; F121-I132 PolarHBondContact N-O 2.78Å; F121-I132 PolarHBondContact O-N 3.01Å; F121-F166 HydrophobicContact CB-CE1 3.81Å; F121-F166 HydrophobicContact CB-CZ 4.24Å; F121-F166 HydrophobicContact CD1-CE1 4.3Å; F121-F166 HydrophobicContact CD2-CD1 4.16Å; F121-F166 AromaticContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CE2-CE1 4.43Å; F121-F166 AromaticContact CG-CE1 3.68Å; F121-F166 HydrophobicContact CG-CE1 3.68Å |
| 122 | H | 96.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133 | 174.4 | 162.5 | 71.4 | 0 | 0 | 0 | 111 | I84 F85 G110 R111 F113 D129 T130 | I84-H122 HydrophobicContact CG2-CB 3.76Å; F85-H122 HydrophobicContact CE2-CB 4.23Å; F85-H122 HydrophobicContact CZ-CB 3.79Å; G110-H122 CarbonylContact C-O 3.55Å; G110-H122 VanDerWaalsContact CA-O 3.23Å; G110-H122 WeakPolarHBondContact CA-O 3.43Å; R111-H122 PolarHBondContact N-O 2.83Å; R111-H122 PolarHBondContact O-N 3.01Å; F113-H122 HydrophobicContact CE2-CB 4.36Å; H122-D129 IonicContact CE1-OD1 3.78Å; H122-D129 PolarHBondContact CE1-OD1 3.32Å; H122-D129 IonicContact ND1-OD1 2.79Å; H122-D129 PolarHBondContact ND1-OD1 3.15Å; H122-T130 WeakPolarHBondContact CA-O 3.42Å |
| 123 | S | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.9 | 178.3 | 150.7 | 0 | 0 | 0 | 0 | 108.9 | Q109 T130 | Q109-S123 WeakPolarHBondContact O-CB 3.35Å; Q109-S123 PolarHBondContact O-OG 2.82Å; S123-T130 PolarHBondContact N-O 2.91Å; S123-T130 PolarHBondContact O-N 3.36Å |
| 124 | K | 93.4 | Very high | 93.6 | Very high | 155 Ų | 155 | 52.4 Ų | 52.4 | 67% | 0.674 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 89.9 | 172 | -171.7 | -179.2 | 179.7 | -178.1 | 0 | 109.3 | ||
| 125 | V | 89.3 | Confident | 93.6 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 144.4 | -175.7 | -168.5 | 0 | 0 | 0 | 0 | 108.4 | Q109 G127 K128 | Q109-V125 HydrophobicContact CB-CG2 4.29Å; Q109-V125 VanDerWaalsContact O-CG2 3.31Å; Q109-V125 WeakPolarHBondContact O-CG2 3.41Å; V125-G127 PolarHBondContact O-N 3.4Å; V125-K128 PolarHBondContact N-O 3.26Å; V125-K128 PolarHBondContact O-N 2.86Å; V125-K128 VanDerWaalsContact O-N 3.14Å |
| 126 | F | 83.8 | Confident | 93.6 | Very high | 176 Ų | 176 | 55.3 Ų | 55.3 | 77% | 0.772 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.7 | -173.1 | -52.9 | -68.6 | 0 | 0 | 0 | 113.3 | I106 K128 | I106-F126 HydrophobicContact CD1-CD2 4.02Å; I106-F126 HydrophobicContact CD1-CE2 3.84Å; F126-K128 PolarHBondContact O-N 3.49Å |
| 127 | G | 85 | Confident | 93.6 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 73% | 0.732 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -22.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V125 D129 | V125-G127 PolarHBondContact O-N 3.4Å; G127-D129 PolarHBondContact O-N 2.83Å |
| 128 | K | 88.9 | Confident | 93.7 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 54% | 0.535 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.8 | -176.5 | -171.4 | 173.7 | -178.1 | 174.7 | 0 | 111.8 | V125 F126 | V125-K128 PolarHBondContact N-O 3.26Å; V125-K128 PolarHBondContact O-N 2.86Å; V125-K128 VanDerWaalsContact O-N 3.14Å; F126-K128 PolarHBondContact O-N 3.49Å |
| 129 | D | 92.2 | Very high | 93.7 | Very high | 78 Ų | 78 | 52 Ų | 52 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 121.1 | 164.8 | -170.7 | -2 | 0 | 0 | 0 | 108.7 | H122 G127 K131 | H122-D129 IonicContact CE1-OD1 3.78Å; H122-D129 PolarHBondContact CE1-OD1 3.32Å; H122-D129 IonicContact ND1-OD1 2.79Å; H122-D129 PolarHBondContact ND1-OD1 3.15Å; G127-D129 PolarHBondContact O-N 2.83Å; D129-K131 VanDerWaalsContact CG-CE 3.46Å; D129-K131 VanDerWaalsContact OD1-CE 3.28Å; D129-K131 WeakPolarHBondContact OD1-CE 3.37Å; D129-K131 WeakPolarHBondContact OD2-CE 3.3Å; D129-K131 IonicContact OD2-NZ 3.72Å; D129-K131 PolarHBondContact OD2-NZ 3.41Å |
| 130 | T | 93.5 | Very high | 93.6 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.7 | 178.6 | -59.1 | 0 | 0 | 0 | 0 | 108.4 | H122 S123 | H122-T130 WeakPolarHBondContact CA-O 3.42Å; S123-T130 PolarHBondContact N-O 2.91Å; S123-T130 PolarHBondContact O-N 3.36Å |
| 131 | K | 95.4 | Very high | 93.5 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.1 | 179.3 | -63.4 | -179.4 | -165.7 | 173.2 | 0 | 110.5 | I84 F85 F121 D129 | I84-K131 HydrophobicContact CG2-CD 4.04Å; I84-K131 HydrophobicContact CG2-CG 4.45Å; I84-K131 PolarHBondContact O-NZ 3.34Å; F85-K131 HydrophobicContact CD1-CD 4.49Å; F85-K131 HydrophobicContact CE1-CB 3.95Å; F85-K131 HydrophobicContact CE1-CD 4.37Å; F85-K131 HydrophobicContact CE1-CG 4.21Å; F121-K131 CarbonylContact O-C 3.56Å; F121-K131 WeakPolarHBondContact O-CA 3.24Å; D129-K131 VanDerWaalsContact CG-CE 3.46Å; D129-K131 VanDerWaalsContact OD1-CE 3.28Å; D129-K131 WeakPolarHBondContact OD1-CE 3.37Å; D129-K131 WeakPolarHBondContact OD2-CE 3.3Å; D129-K131 IonicContact OD2-NZ 3.72Å; D129-K131 PolarHBondContact OD2-NZ 3.41Å |
| 132 | I | 95.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134.9 | 170.6 | -52.2 | -177.7 | 0 | 0 | 0 | 106.6 | L102 C120 F121 I134 Y164 | L102-I132 HydrophobicContact CD2-CD1 3.44Å; L102-I132 VanDerWaalsContact CD2-CD1 3.44Å; C120-I132 CarbonylContact C-O 3.45Å; C120-I132 VanDerWaalsContact CA-O 3.22Å; C120-I132 WeakPolarHBondContact CA-O 3.18Å; F121-I132 PolarHBondContact N-O 2.78Å; F121-I132 PolarHBondContact O-N 3.01Å; I132-I134 HydrophobicContact CG2-CD1 4.23Å; I132-I134 HydrophobicContact CG2-CG1 3.74Å; I132-Y164 HydrophobicContact CD1-CD1 3.89Å; I132-Y164 HydrophobicContact CD1-CE1 3.8Å; I132-Y164 HydrophobicContact CG2-CE1 4.05Å |
| 133 | A | 95.9 | Very high | 93.2 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108 | W118 | W118-A133 HydrophobicContact CE3-CB 3.86Å; W118-A133 HydrophobicContact CZ3-CB 3.88Å |
| 134 | I | 95.9 | Very high | 93 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.2 | -177.5 | -49.7 | 173.9 | 0 | 0 | 0 | 107.7 | W118 I119 I132 V136 I139 Y164 | W118-I134 WeakPolarHBondContact CA-O 3.34Å; I119-I134 HydrophobicContact CB-CB 4.48Å; I119-I134 PolarHBondContact N-O 3.25Å; I119-I134 WeakPolarHBondContact O-CB 3.49Å; I119-I134 PolarHBondContact O-N 3.34Å; I132-I134 HydrophobicContact CG2-CD1 4.23Å; I132-I134 HydrophobicContact CG2-CG1 3.74Å; I134-V136 PolarHBondContact O-N 2.8Å; I134-I139 HydrophobicContact CG2-CD1 4.49Å; I134-I139 HydrophobicContact CG2-CG1 3.98Å; I134-Y164 HydrophobicContact CD1-CD2 3.49Å; I134-Y164 VanDerWaalsContact CD1-CD2 3.49Å; I134-Y164 HydrophobicContact CD1-CE2 3.77Å; I134-Y164 HydrophobicContact CD1-CG 4.02Å; I134-Y164 HydrophobicContact CG1-CD2 4.4Å; I134-Y164 HydrophobicContact CG1-CE2 4.19Å |
| 135 | P | 95.4 | Very high | 92.6 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 33% | 0.331 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131.2 | 170.4 | -18.1 | 28.2 | 0 | 0 | 0 | 110 | W118 M137 S138 | W118-P135 HydrophobicContact CE3-CB 4.49Å; W118-P135 HydrophobicContact CE3-CG 4.13Å; W118-P135 HydrophobicContact CH2-CG 3.88Å; W118-P135 HydrophobicContact CZ3-CB 4.38Å; W118-P135 HydrophobicContact CZ3-CG 3.61Å; P135-M137 PolarHBondContact O-N 3.15Å; P135-S138 WeakPolarHBondContact O-CB 3.23Å; P135-S138 PolarHBondContact O-N 3Å; P135-S138 PolarHBondContact O-OG 3.43Å |
| 136 | V | 95 | Very high | 92 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -54 | -42.5 | 179.5 | 165.7 | 0 | 0 | 0 | 0 | 111 | H117 I119 I134 S138 I139 H185 | H117-V136 VanDerWaalsContact C-CG2 3.47Å; H117-V136 PolarHBondContact O-N 3.31Å; I119-V136 HydrophobicContact CG1-CG2 4.19Å; I134-V136 PolarHBondContact O-N 2.8Å; V136-S138 PolarHBondContact O-N 3.44Å; V136-S138 VanDerWaalsContact O-N 3.16Å; V136-I139 WeakPolarHBondContact O-CB 3.24Å; V136-I139 WeakPolarHBondContact O-CG1 3.44Å; V136-I139 PolarHBondContact O-N 3.38Å; V136-I139 VanDerWaalsContact O-N 3.15Å; V136-H185 PolarHBondContact O-CE1 3.37Å; V136-H185 PolarHBondContact O-NE2 3.36Å |
| 137 | M | 93.8 | Very high | 91.1 | Very high | 152 Ų | 152 | 63.8 Ų | 63.8 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -61.3 | -21.5 | 177.9 | -165.2 | 62.3 | 67.5 | 0 | 0 | 114.5 | P135 H185 | P135-M137 PolarHBondContact O-N 3.15Å; M137-H185 HydrophobicContact SD-CB 4.49Å |
| 138 | S | 95.1 | Very high | 89.5 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 20% | 0.203 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -85.4 | -11.5 | 179.6 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | P135 V136 T159 T160 | P135-S138 WeakPolarHBondContact O-CB 3.23Å; P135-S138 PolarHBondContact O-N 3Å; P135-S138 PolarHBondContact O-OG 3.43Å; V136-S138 PolarHBondContact O-N 3.44Å; V136-S138 VanDerWaalsContact O-N 3.16Å; S138-T159 WeakPolarHBondContact O-CA 3.27Å; S138-T159 WeakPolarHBondContact O-CG2 3.43Å; S138-T160 PolarHBondContact O-N 3Å |
| 139 | I | 96.2 | Very high | 88 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134 | -179.2 | -58.8 | 171 | 0 | 0 | 0 | 108.9 | I119 I134 V136 I142 I157 A158 H185 L186 | I119-I139 HydrophobicContact CD1-CD1 3.41Å; I119-I139 VanDerWaalsContact CD1-CD1 3.41Å; I119-I139 HydrophobicContact CG1-CD1 4.19Å; I134-I139 HydrophobicContact CG2-CD1 4.49Å; I134-I139 HydrophobicContact CG2-CG1 3.98Å; V136-I139 WeakPolarHBondContact O-CB 3.24Å; V136-I139 WeakPolarHBondContact O-CG1 3.44Å; V136-I139 PolarHBondContact O-N 3.38Å; V136-I139 VanDerWaalsContact O-N 3.15Å; I139-I142 HydrophobicContact CG2-CD1 4.25Å; I139-I142 HydrophobicContact CG2-CG1 3.79Å; I139-I157 HydrophobicContact CD1-CG2 4.12Å; I139-I157 HydrophobicContact CG1-CG2 4.05Å; I139-I157 HydrophobicContact CG2-CG2 3.94Å; I139-A158 CarbonylContact C-O 3.51Å; I139-A158 WeakPolarHBondContact CA-O 3.33Å; I139-A158 WeakPolarHBondContact CG2-O 3.48Å; I139-H185 PolarHBondContact O-NE2 2.88Å; I139-L186 HydrophobicContact CG2-CD1 4.06Å; I139-L186 WeakPolarHBondContact O-CD2 3.42Å |
| 140 | T | 95 | Very high | 86.2 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 36% | 0.362 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -24.3 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 113 | A158 T159 T160 L186 | T140-A158 PolarHBondContact N-O 2.84Å; T140-A158 PolarHBondContact OG1-O 2.83Å; T140-T159 WeakPolarHBondContact CG2-O 3.49Å; T140-T159 PolarHBondContact OG1-O 3.1Å; T140-T160 HydrophobicContact CG2-CG2 3.82Å; T140-L186 WeakPolarHBondContact O-CD2 3.46Å |
| 141 | N | 93.7 | Very high | 84.4 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 145.1 | 176.2 | -162.2 | -85.6 | 0 | 0 | 0 | 110.9 | A158 | N141-A158 HydrophobicContact CB-CB 4.06Å; N141-A158 PolarHBondContact N-O 2.8Å; N141-A158 PolarHBondContact O-N 2.93Å |
| 142 | I | 95.1 | Very high | 82.8 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124 | 165.5 | -56.2 | -176.4 | 0 | 0 | 0 | 108 | I139 L155 V156 Y176 L179 L186 | I139-I142 HydrophobicContact CG2-CD1 4.25Å; I139-I142 HydrophobicContact CG2-CG1 3.79Å; I142-L155 HydrophobicContact CG2-CD1 4Å; I142-L155 HydrophobicContact CG2-CD2 4.28Å; I142-L155 HydrophobicContact CG2-CG 4.14Å; I142-V156 CarbonylContact C-O 3.56Å; I142-V156 WeakPolarHBondContact CA-O 3.4Å; I142-Y176 HydrophobicContact CB-CE2 4.4Å; I142-Y176 HydrophobicContact CG2-CD2 3.85Å; I142-Y176 HydrophobicContact CG2-CE2 3.99Å; I142-L179 HydrophobicContact CD1-CB 3.88Å; I142-L186 HydrophobicContact CG1-CD1 4.15Å |
| 143 | K | 92.4 | Very high | 82.1 | Confident | 134 Ų | 134 | 73 Ų | 73 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.6 | -176.1 | -177.2 | 168.7 | -178.3 | 173.7 | 0 | 112 | V156 | K143-V156 HydrophobicContact CB-CB 4.44Å; K143-V156 PolarHBondContact N-O 2.87Å; K143-V156 PolarHBondContact O-N 3.49Å |
| 144 | K | 92.3 | Very high | 81.8 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 39% | 0.391 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.6 | 167 | -68.2 | 177.1 | -76.6 | -177 | 0 | 109.6 | L155 D173 Y176 | K144-L155 HydrophobicContact CG-CD1 3.93Å; K144-D173 WeakPolarHBondContact CD-OD1 3.32Å; K144-D173 IonicContact NZ-OD1 3.61Å; K144-Y176 HydrophobicContact CD-CD1 3.81Å; K144-Y176 HydrophobicContact CD-CD2 4.06Å; K144-Y176 HydrophobicContact CD-CE1 4.36Å; K144-Y176 HydrophobicContact CD-CG 3.64Å; K144-Y176 HydrophobicContact CG-CD1 4.32Å; K144-Y176 HydrophobicContact CG-CD2 3.63Å; K144-Y176 HydrophobicContact CG-CE2 4.13Å; K144-Y176 HydrophobicContact CG-CG 3.7Å |
| 145 | T | 85.8 | Confident | 81.7 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144 | -178.9 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | A154 | T145-A154 PolarHBondContact N-O 3.43Å; T145-A154 WeakPolarHBondContact O-CB 3.39Å; T145-A154 PolarHBondContact O-N 3.35Å; T145-A154 VanDerWaalsContact O-O 3.06Å |
| 146 | K | 76.3 | Confident | 81.7 | Confident | 163 Ų | 163 | 69.7 Ų | 69.7 | 71% | 0.709 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.1 | 167.2 | -64.1 | 177.9 | -179.9 | 179.6 | 0 | 106.5 | A148 | K146-A148 PolarHBondContact O-N 3.29Å |
| 147 | T | 65.1 | Low | 81.7 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 44% | 0.436 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 114 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 108.3 | I149 L150 L151 | T147-I149 PolarHBondContact O-N 3.35Å; T147-L150 PolarHBondContact O-N 2.84Å; T147-L151 PolarHBondContact N-O 2.83Å; T147-L151 PolarHBondContact O-N 2.89Å |
| 148 | A | 52.2 | Low | 81.8 | Confident | 103 Ų | 103 | 63 Ų | 63 | 85% | 0.851 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -1.5 | -149.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | K146 | K146-A148 PolarHBondContact O-N 3.29Š|
| 149 | I | 57.3 | Low | 81.8 | Confident | 164 Ų | 164 | 62.5 Ų | 62.5 | 84% | 0.841 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -29.4 | -173.7 | -61.7 | 177.2 | 0 | 0 | 0 | 113.1 | T147 | T147-I149 PolarHBondContact O-N 3.35Š|
| 150 | L | 53.2 | Low | 81.6 | Confident | 146 Ų | 146 | 67.1 Ų | 67.1 | 76% | 0.764 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154.3 | -23.3 | -172.9 | -166.7 | 61 | 0 | 0 | 0 | 117.3 | T147 | T147-L150 PolarHBondContact O-N 2.84Š|
| 151 | L | 56 | Low | 81.5 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 98.5 | -176 | -77.3 | 91.3 | 0 | 0 | 0 | 112.7 | T147 N153 V167 | T147-L151 PolarHBondContact N-O 2.83Å; T147-L151 PolarHBondContact O-N 2.89Å; L151-N153 VanDerWaalsContact C-N 3.34Å; L151-V167 HydrophobicContact CD2-CB 3.79Å; L151-V167 HydrophobicContact CD2-CG1 4.48Å; L151-V167 HydrophobicContact CD2-CG2 3.71Å |
| 152 | P | 61.8 | Low | 81.5 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -18.7 | 176.2 | 30 | -34.8 | 0 | 0 | 0 | 113.6 | A154 R172 | P152-A154 PolarHBondContact O-N 3.29Å; P152-R172 PolarHBondContact O-NH1 3.33Å |
| 153 | N | 81.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 31% | 0.305 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 49.4 | -171.6 | -69.4 | 4.7 | 0 | 0 | 0 | 112.9 | L151 S168 F169 R172 | L151-N153 VanDerWaalsContact C-N 3.34Å; N153-S168 PolarHBondContact O-N 3.43Å; N153-F169 PolarHBondContact ND2-O 2.99Å; N153-R172 HydrophobicContact CB-CB 4.48Å |
| 154 | A | 89.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T145 P152 F166 V167 R172 | T145-A154 PolarHBondContact N-O 3.43Å; T145-A154 WeakPolarHBondContact O-CB 3.39Å; T145-A154 PolarHBondContact O-N 3.35Å; T145-A154 VanDerWaalsContact O-O 3.06Å; P152-A154 PolarHBondContact O-N 3.29Å; A154-F166 CarbonylContact C-O 3.55Å; A154-F166 WeakPolarHBondContact CA-O 3.47Å; A154-V167 HydrophobicContact CB-CG1 3.89Å; A154-R172 WeakPolarHBondContact O-CD 3.37Å |
| 155 | L | 94.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.9 | 174.4 | -165.2 | 70.3 | 0 | 0 | 0 | 109.1 | I142 K144 F166 F169 T175 Y176 L179 | I142-L155 HydrophobicContact CG2-CD1 4Å; I142-L155 HydrophobicContact CG2-CD2 4.28Å; I142-L155 HydrophobicContact CG2-CG 4.14Å; K144-L155 HydrophobicContact CG-CD1 3.93Å; L155-F166 PolarHBondContact N-O 3.04Å; L155-F166 PolarHBondContact O-N 3.4Å; L155-F166 VanDerWaalsContact O-O 3.14Å; L155-F169 HydrophobicContact CB-CD2 4.15Å; L155-F169 HydrophobicContact CB-CE2 3.56Å; L155-F169 HydrophobicContact CB-CZ 4.31Å; L155-F169 HydrophobicContact CD2-CE2 4.37Å; L155-F169 HydrophobicContact CD2-CZ 4.37Å; L155-T175 HydrophobicContact CD2-CG2 4.33Å; L155-Y176 HydrophobicContact CD1-CD2 3.83Å; L155-Y176 HydrophobicContact CD1-CG 4.45Å; L155-L179 HydrophobicContact CD2-CD1 3.75Å |
| 156 | V | 94.4 | Very high | 82.1 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 13% | 0.127 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.6 | 177 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | I142 K143 R163 Y164 V165 | I142-V156 CarbonylContact C-O 3.56Å; I142-V156 WeakPolarHBondContact CA-O 3.4Å; K143-V156 HydrophobicContact CB-CB 4.44Å; K143-V156 PolarHBondContact N-O 2.87Å; K143-V156 PolarHBondContact O-N 3.49Å; V156-R163 HydrophobicContact CG1-CG 3.54Å; V156-Y164 WeakPolarHBondContact CA-O 3.33Å; V156-V165 HydrophobicContact CG1-CG2 4.33Å; V156-V165 HydrophobicContact CG2-CG1 4.44Å; V156-V165 HydrophobicContact CG2-CG2 4.19Å |
| 157 | I | 95.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.8 | 170.6 | -57.4 | -179.3 | 0 | 0 | 0 | 106.6 | M112 I119 I139 Y164 F166 L179 | M112-I157 HydrophobicContact CE-CD1 4.02Å; I119-I157 HydrophobicContact CD1-CD1 3.97Å; I119-I157 HydrophobicContact CG2-CD1 4.27Å; I139-I157 HydrophobicContact CD1-CG2 4.12Å; I139-I157 HydrophobicContact CG1-CG2 4.05Å; I139-I157 HydrophobicContact CG2-CG2 3.94Å; I157-Y164 PolarHBondContact N-O 2.88Å; I157-Y164 PolarHBondContact O-N 2.87Å; I157-F166 HydrophobicContact CD1-CD2 4.06Å; I157-F166 HydrophobicContact CD1-CE2 3.91Å; I157-F166 HydrophobicContact CG1-CD2 4.29Å; I157-F166 HydrophobicContact CG1-CE2 4.35Å; I157-L179 HydrophobicContact CD1-CD1 4.07Å |
| 158 | A | 95.3 | Very high | 84.1 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I139 T140 N141 | I139-A158 CarbonylContact C-O 3.51Å; I139-A158 WeakPolarHBondContact CA-O 3.33Å; I139-A158 WeakPolarHBondContact CG2-O 3.48Å; T140-A158 PolarHBondContact N-O 2.84Å; T140-A158 PolarHBondContact OG1-O 2.83Å; N141-A158 HydrophobicContact CB-CB 4.06Å; N141-A158 PolarHBondContact N-O 2.8Å; N141-A158 PolarHBondContact O-N 2.93Å |
| 159 | T | 95.4 | Very high | 86 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -174.3 | 173.8 | -52.6 | 0 | 0 | 0 | 0 | 107.6 | S138 T140 N161 D162 | S138-T159 WeakPolarHBondContact O-CA 3.27Å; S138-T159 WeakPolarHBondContact O-CG2 3.43Å; T140-T159 WeakPolarHBondContact CG2-O 3.49Å; T140-T159 PolarHBondContact OG1-O 3.1Å; T159-N161 VanDerWaalsContact C-N 3.33Å; T159-D162 PolarHBondContact N-O 2.8Å |
| 160 | T | 92 | Very high | 87.5 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -65.7 | -36.7 | 169.2 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | S138 T140 | S138-T160 PolarHBondContact O-N 3Å; T140-T160 HydrophobicContact CG2-CG2 3.82Å |
| 161 | N | 92 | Very high | 89.3 | Confident | 143 Ų | 143 | 53.5 Ų | 53.5 | 77% | 0.765 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -108.5 | -30.9 | -170.4 | -54.4 | -4.8 | 0 | 0 | 0 | 112.8 | T159 | T159-N161 VanDerWaalsContact C-N 3.33Š|
| 162 | D | 94.3 | Very high | 91 | Very high | 87 Ų | 87 | 53 Ų | 53 | 47% | 0.465 | 29% | 0.285 | S | S | . | . | trans | -125.1 | 161.8 | -167.1 | -78.7 | -58.7 | 0 | 0 | 0 | 112.8 | T159 Y164 | T159-D162 PolarHBondContact N-O 2.8Å; D162-Y164 HydrophobicContact CB-CD2 4.23Å; D162-Y164 HydrophobicContact CB-CE1 4.39Å; D162-Y164 HydrophobicContact CB-CE2 3.42Å; D162-Y164 VanDerWaalsContact CB-CE2 3.42Å; D162-Y164 WeakPolarHBondContact CB-OH 3.27Å; D162-Y164 VanDerWaalsContact CG-OH 3.29Å; D162-Y164 PolarHBondContact OD2-OH 2.81Å | ||
| 163 | R | 94 | Very high | 92.5 | Very high | 194 Ų | 194 | 52.4 Ų | 52.4 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 109.3 | 171.4 | -175 | -178.6 | 66.5 | -175.9 | -1.3 | 110.8 | V156 | V156-R163 HydrophobicContact CG1-CG 3.54Å |
| 164 | Y | 95.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 14% | 0.137 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.8 | -179.1 | -56.7 | -79 | 0 | 0 | 0 | 110.6 | L102 I132 I134 V156 I157 D162 F166 | L102-Y164 HydrophobicContact CD1-CD1 4.4Å; I132-Y164 HydrophobicContact CD1-CD1 3.89Å; I132-Y164 HydrophobicContact CD1-CE1 3.8Å; I132-Y164 HydrophobicContact CG2-CE1 4.05Å; I134-Y164 HydrophobicContact CD1-CD2 3.49Å; I134-Y164 VanDerWaalsContact CD1-CD2 3.49Å; I134-Y164 HydrophobicContact CD1-CE2 3.77Å; I134-Y164 HydrophobicContact CD1-CG 4.02Å; I134-Y164 HydrophobicContact CG1-CD2 4.4Å; I134-Y164 HydrophobicContact CG1-CE2 4.19Å; V156-Y164 WeakPolarHBondContact CA-O 3.33Å; I157-Y164 PolarHBondContact N-O 2.88Å; I157-Y164 PolarHBondContact O-N 2.87Å; D162-Y164 HydrophobicContact CB-CD2 4.23Å; D162-Y164 HydrophobicContact CB-CE1 4.39Å; D162-Y164 HydrophobicContact CB-CE2 3.42Å; D162-Y164 VanDerWaalsContact CB-CE2 3.42Å; D162-Y164 WeakPolarHBondContact CB-OH 3.27Å; D162-Y164 VanDerWaalsContact CG-OH 3.29Å; D162-Y164 PolarHBondContact OD2-OH 2.81Å; Y164-F166 HydrophobicContact CG-CE2 4.49Å |
| 165 | V | 94.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.1 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | Q103 V156 V167 | Q103-V165 HydrophobicContact CB-CB 4.15Å; Q103-V165 HydrophobicContact CB-CG1 4.18Å; Q103-V165 WeakPolarHBondContact CB-O 3.47Å; Q103-V165 PolarHBondContact N-O 3.13Å; V156-V165 HydrophobicContact CG1-CG2 4.33Å; V156-V165 HydrophobicContact CG2-CG1 4.44Å; V156-V165 HydrophobicContact CG2-CG2 4.19Å; V165-V167 HydrophobicContact CG1-CG1 4.22Å |
| 166 | F | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.4 | 176.4 | -62.2 | -83.3 | 0 | 0 | 0 | 109.9 | A101 L102 M112 F121 A154 L155 I157 Y164 F169 | A101-F166 CarbonylContact O-C 3.57Å; A101-F166 WeakPolarHBondContact O-CA 3.46Å; L102-F166 HydrophobicContact CB-CD1 4.17Å; L102-F166 HydrophobicContact CB-CE1 4.16Å; L102-F166 HydrophobicContact CD1-CD1 3.94Å; L102-F166 HydrophobicContact CD1-CE1 3.67Å; L102-F166 HydrophobicContact CD1-CE2 4.48Å; L102-F166 HydrophobicContact CD1-CG 4.46Å; L102-F166 HydrophobicContact CD1-CZ 3.97Å; L102-F166 HydrophobicContact CG-CE1 4.43Å; M112-F166 HydrophobicContact CE-CB 4.44Å; M112-F166 HydrophobicContact CE-CD1 3.79Å; M112-F166 HydrophobicContact CE-CD2 3.57Å; M112-F166 HydrophobicContact CE-CE1 3.81Å; M112-F166 HydrophobicContact CE-CE2 3.59Å; M112-F166 HydrophobicContact CE-CG 3.67Å; M112-F166 HydrophobicContact CE-CZ 3.71Å; F121-F166 HydrophobicContact CB-CE1 3.81Å; F121-F166 HydrophobicContact CB-CZ 4.24Å; F121-F166 HydrophobicContact CD1-CE1 4.3Å; F121-F166 HydrophobicContact CD2-CD1 4.16Å; F121-F166 AromaticContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CD2-CE1 3.75Å; F121-F166 HydrophobicContact CE2-CE1 4.43Å; F121-F166 AromaticContact CG-CE1 3.68Å; F121-F166 HydrophobicContact CG-CE1 3.68Å; A154-F166 CarbonylContact C-O 3.55Å; A154-F166 WeakPolarHBondContact CA-O 3.47Å; L155-F166 PolarHBondContact N-O 3.04Å; L155-F166 PolarHBondContact O-N 3.4Å; L155-F166 VanDerWaalsContact O-O 3.14Å; I157-F166 HydrophobicContact CD1-CD2 4.06Å; I157-F166 HydrophobicContact CD1-CE2 3.91Å; I157-F166 HydrophobicContact CG1-CD2 4.29Å; I157-F166 HydrophobicContact CG1-CE2 4.35Å; Y164-F166 HydrophobicContact CG-CE2 4.49Å; F166-F169 HydrophobicContact CB-CE2 3.42Å; F166-F169 VanDerWaalsContact CB-CE2 3.42Å; F166-F169 HydrophobicContact CB-CZ 3.48Å; F166-F169 VanDerWaalsContact CB-CZ 3.48Å; F166-F169 HydrophobicContact CG-CZ 4.31Å |
| 167 | V | 92.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 175.4 | -175.5 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | C100 A101 L107 L151 A154 V165 F169 | C100-V167 WeakPolarHBondContact CA-O 3.43Å; C100-V167 WeakPolarHBondContact CB-O 3.41Å; A101-V167 HydrophobicContact CB-CG2 3.96Å; A101-V167 PolarHBondContact N-O 2.83Å; A101-V167 PolarHBondContact O-N 2.93Å; L107-V167 HydrophobicContact CD2-CG2 3.49Å; L107-V167 VanDerWaalsContact CD2-CG2 3.49Å; L151-V167 HydrophobicContact CD2-CB 3.79Å; L151-V167 HydrophobicContact CD2-CG1 4.48Å; L151-V167 HydrophobicContact CD2-CG2 3.71Å; A154-V167 HydrophobicContact CB-CG1 3.89Å; V165-V167 HydrophobicContact CG1-CG1 4.22Å; V167-F169 PolarHBondContact O-N 3.07Å |
| 168 | S | 90.3 | Very high | 93.4 | Very high | 66 Ų | 66 | 65.4 Ų | 65.4 | 46% | 0.462 | 33% | 0.334 | S | S | . | . | trans | 60 | 29.8 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 114.4 | N153 | N153-S168 PolarHBondContact O-N 3.43Š| ||
| 169 | F | 91.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | trans | -66.1 | 133.5 | 168 | -67.5 | -81 | 0 | 0 | 0 | 110.7 | C100 M112 N153 L155 F166 V167 S171 R172 T175 | C100-F169 HydrophobicContact CB-CD1 3.89Å; C100-F169 HydrophobicContact CB-CE1 3.66Å; C100-F169 HydrophobicContact CB-CE2 4.38Å; C100-F169 HydrophobicContact CB-CG 4.35Å; C100-F169 HydrophobicContact CB-CZ 3.93Å; M112-F169 HydrophobicContact CE-CZ 4.22Å; M112-F169 HydrophobicContact SD-CE1 4.34Å; M112-F169 HydrophobicContact SD-CZ 4.42Å; N153-F169 PolarHBondContact ND2-O 2.99Å; L155-F169 HydrophobicContact CB-CD2 4.15Å; L155-F169 HydrophobicContact CB-CE2 3.56Å; L155-F169 HydrophobicContact CB-CZ 4.31Å; L155-F169 HydrophobicContact CD2-CE2 4.37Å; L155-F169 HydrophobicContact CD2-CZ 4.37Å; F166-F169 HydrophobicContact CB-CE2 3.42Å; F166-F169 VanDerWaalsContact CB-CE2 3.42Å; F166-F169 HydrophobicContact CB-CZ 3.48Å; F166-F169 VanDerWaalsContact CB-CZ 3.48Å; F166-F169 HydrophobicContact CG-CZ 4.31Å; V167-F169 PolarHBondContact O-N 3.07Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 2.88Å; F169-R172 HydrophobicContact CB-CB 4.2Å; F169-T175 HydrophobicContact CD1-CG2 4.03Å; F169-T175 HydrophobicContact CE1-CG2 3.81Å; F169-T175 HydrophobicContact CZ-CG2 4.44Å | ||
| 170 | L | 89.9 | Confident | 93.3 | Very high | 170 Ų | 170 | 64.5 Ų | 64.5 | 89% | 0.89 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -35 | 173 | -175.2 | 63.4 | 0 | 0 | 0 | 112.2 | ||
| 171 | S | 90.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | 52.2 | -172.8 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | F169 D173 N174 T175 | F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 2.88Å; S171-D173 PolarHBondContact O-N 2.91Å; S171-N174 PolarHBondContact O-N 3.01Å; S171-T175 PolarHBondContact O-N 2.93Å; S171-T175 VanDerWaalsContact O-N 3.13Å |
| 172 | R | 92.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -36.1 | -48.8 | -175.8 | -177.5 | -158.3 | 62.6 | -138.3 | -9.4 | 114.1 | P152 N153 A154 F169 N174 T175 Y176 | P152-R172 PolarHBondContact O-NH1 3.33Å; N153-R172 HydrophobicContact CB-CB 4.48Å; A154-R172 WeakPolarHBondContact O-CD 3.37Å; F169-R172 HydrophobicContact CB-CB 4.2Å; R172-N174 PolarHBondContact O-N 3.08Å; R172-T175 PolarHBondContact O-N 3.17Å; R172-Y176 WeakPolarHBondContact O-CB 3.28Å; R172-Y176 PolarHBondContact O-N 3.27Å |
| 173 | D | 92.6 | Very high | 93.3 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75 | -24.2 | -172.9 | -61.7 | -46.6 | 0 | 0 | 0 | 113.9 | K144 S171 K177 | K144-D173 WeakPolarHBondContact CD-OD1 3.32Å; K144-D173 IonicContact NZ-OD1 3.61Å; S171-D173 PolarHBondContact O-N 2.91Å; D173-K177 VanDerWaalsContact O-CG 3.3Å; D173-K177 WeakPolarHBondContact O-CG 3.38Å; D173-K177 PolarHBondContact O-N 3.49Å; D173-K177 VanDerWaalsContact O-N 3.15Å |
| 174 | N | 93.8 | Very high | 93 | Very high | 101 Ų | 101 | 50.4 Ų | 50.4 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78 | -42 | 170.5 | -67.8 | -13.6 | 0 | 0 | 0 | 110.3 | S171 R172 Y176 K177 F178 | S171-N174 PolarHBondContact O-N 3.01Å; R172-N174 PolarHBondContact O-N 3.08Å; N174-Y176 VanDerWaalsContact C-N 3.31Å; N174-Y176 PolarHBondContact O-N 3.23Å; N174-K177 PolarHBondContact O-N 2.96Å; N174-F178 WeakPolarHBondContact O-CB 3.38Å; N174-F178 PolarHBondContact O-N 3.25Å |
| 175 | T | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 170.5 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | Y98 L155 F169 S171 R172 F178 L179 | Y98-T175 HydrophobicContact CD1-CG2 4.38Å; Y98-T175 WeakPolarHBondContact CD1-OG1 3.45Å; Y98-T175 HydrophobicContact CD2-CG2 3.93Å; Y98-T175 HydrophobicContact CE1-CG2 4.2Å; Y98-T175 WeakPolarHBondContact CE1-OG1 3Å; Y98-T175 HydrophobicContact CE2-CG2 3.71Å; Y98-T175 HydrophobicContact CG-CG2 4.24Å; L155-T175 HydrophobicContact CD2-CG2 4.33Å; F169-T175 HydrophobicContact CD1-CG2 4.03Å; F169-T175 HydrophobicContact CE1-CG2 3.81Å; F169-T175 HydrophobicContact CZ-CG2 4.44Å; S171-T175 PolarHBondContact O-N 2.93Å; S171-T175 VanDerWaalsContact O-N 3.13Å; R172-T175 PolarHBondContact O-N 3.17Å; T175-F178 PolarHBondContact O-N 2.83Å; T175-L179 HydrophobicContact CG2-CD1 3.91Å; T175-L179 HydrophobicContact CG2-CG 4.26Å; T175-L179 WeakPolarHBondContact O-CB 3.37Å; T175-L179 VanDerWaalsContact O-CG 3.3Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 3.4Å |
| 176 | Y | 95 | Very high | 92.1 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -55.1 | 176.1 | 174.1 | -100.7 | 0 | 0 | 0 | 111.7 | I142 K144 L155 R172 N174 F178 L179 T180 | I142-Y176 HydrophobicContact CB-CE2 4.4Å; I142-Y176 HydrophobicContact CG2-CD2 3.85Å; I142-Y176 HydrophobicContact CG2-CE2 3.99Å; K144-Y176 HydrophobicContact CD-CD1 3.81Å; K144-Y176 HydrophobicContact CD-CD2 4.06Å; K144-Y176 HydrophobicContact CD-CE1 4.36Å; K144-Y176 HydrophobicContact CD-CG 3.64Å; K144-Y176 HydrophobicContact CG-CD1 4.32Å; K144-Y176 HydrophobicContact CG-CD2 3.63Å; K144-Y176 HydrophobicContact CG-CE2 4.13Å; K144-Y176 HydrophobicContact CG-CG 3.7Å; L155-Y176 HydrophobicContact CD1-CD2 3.83Å; L155-Y176 HydrophobicContact CD1-CG 4.45Å; R172-Y176 WeakPolarHBondContact O-CB 3.28Å; R172-Y176 PolarHBondContact O-N 3.27Å; N174-Y176 VanDerWaalsContact C-N 3.31Å; N174-Y176 PolarHBondContact O-N 3.23Å; Y176-F178 VanDerWaalsContact C-N 3.28Å; Y176-F178 PolarHBondContact O-N 3.21Å; Y176-L179 PolarHBondContact O-N 3.01Å; Y176-T180 PolarHBondContact O-N 2.95Å; Y176-T180 PolarHBondContact O-OG1 3.49Å; Y176-T180 VanDerWaalsContact O-OG1 3.1Å |
| 177 | K | 94.6 | Very high | 90.8 | Very high | 142 Ų | 142 | 57.8 Ų | 57.8 | 62% | 0.617 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -55 | -44.9 | 179.1 | -74.9 | 172.2 | 179.6 | -177.1 | 0 | 111.8 | D173 N174 S181 | D173-K177 VanDerWaalsContact O-CG 3.3Å; D173-K177 WeakPolarHBondContact O-CG 3.38Å; D173-K177 PolarHBondContact O-N 3.49Å; D173-K177 VanDerWaalsContact O-N 3.15Å; N174-K177 PolarHBondContact O-N 2.96Å; K177-S181 WeakPolarHBondContact O-CB 3.32Å; K177-S181 PolarHBondContact O-N 2.9Å; K177-S181 PolarHBondContact O-OG 3.35Å |
| 178 | F | 95.1 | Very high | 89.1 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -48.8 | 179.3 | -177.7 | -113.5 | 0 | 0 | 0 | 112.1 | R95 Q96 Y98 V114 N174 T175 Y176 T180 S181 L182 | R95-F178 HydrophobicContact CB-CE1 4.39Å; R95-F178 HydrophobicContact CB-CZ 3.74Å; R95-F178 HydrophobicContact CG-CZ 4.44Å; Q96-F178 HydrophobicContact CB-CD1 4.38Å; Q96-F178 HydrophobicContact CB-CE1 3.8Å; Q96-F178 HydrophobicContact CB-CZ 4.29Å; Y98-F178 HydrophobicContact CE2-CD1 4.26Å; Y98-F178 VanDerWaalsContact OH-CD1 3.23Å; Y98-F178 WeakPolarHBondContact OH-CD1 3.32Å; V114-F178 HydrophobicContact CB-CE1 4.05Å; V114-F178 HydrophobicContact CG1-CD1 4.39Å; V114-F178 HydrophobicContact CG1-CE1 3.69Å; N174-F178 WeakPolarHBondContact O-CB 3.38Å; N174-F178 PolarHBondContact O-N 3.25Å; T175-F178 PolarHBondContact O-N 2.83Å; Y176-F178 VanDerWaalsContact C-N 3.28Å; Y176-F178 PolarHBondContact O-N 3.21Å; F178-T180 PolarHBondContact O-N 2.75Å; F178-S181 PolarHBondContact O-N 2.97Å; F178-S181 PolarHBondContact O-OG 3.46Å; F178-L182 HydrophobicContact CD1-CD1 4.37Å; F178-L182 HydrophobicContact CE1-CD1 3.81Å; F178-L182 HydrophobicContact CZ-CD1 3.87Å; F178-L182 HydrophobicContact CZ-CG 4.41Å; F178-L182 PolarHBondContact O-N 3.13Å |
| 179 | L | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.4 | -69.5 | -178.1 | 0 | 0 | 0 | 112.7 | M112 V114 I119 I142 L155 I157 T175 Y176 S181 L182 C183 | M112-L179 HydrophobicContact SD-CD1 4.15Å; V114-L179 HydrophobicContact CB-CD2 4.4Å; V114-L179 HydrophobicContact CG1-CD2 3.68Å; V114-L179 HydrophobicContact CG2-CD2 3.79Å; I119-L179 HydrophobicContact CD1-CD1 4.33Å; I119-L179 HydrophobicContact CD1-CD2 3.63Å; I119-L179 HydrophobicContact CD1-CG 4.45Å; I119-L179 HydrophobicContact CG1-CD2 4.06Å; I142-L179 HydrophobicContact CD1-CB 3.88Å; L155-L179 HydrophobicContact CD2-CD1 3.75Å; I157-L179 HydrophobicContact CD1-CD1 4.07Å; T175-L179 HydrophobicContact CG2-CD1 3.91Å; T175-L179 HydrophobicContact CG2-CG 4.26Å; T175-L179 WeakPolarHBondContact O-CB 3.37Å; T175-L179 VanDerWaalsContact O-CG 3.3Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 3.4Å; Y176-L179 PolarHBondContact O-N 3.01Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.38Å; L179-L182 PolarHBondContact O-N 2.9Å; L179-C183 PolarHBondContact O-N 3.26Å; L179-C183 PolarHBondContact O-SG 2.77Å |
| 180 | T | 93.8 | Very high | 85.3 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 13% | 0.129 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 172.4 | -59.1 | 0 | 0 | 0 | 0 | 111 | Y176 F178 L182 C183 | Y176-T180 PolarHBondContact O-N 2.95Å; Y176-T180 PolarHBondContact O-OG1 3.49Å; Y176-T180 VanDerWaalsContact O-OG1 3.1Å; F178-T180 PolarHBondContact O-N 2.75Å; T180-L182 PolarHBondContact O-N 3.31Å; T180-L182 VanDerWaalsContact O-N 3.17Å; T180-C183 CarbonylContact O-C 3.58Å; T180-C183 WeakPolarHBondContact O-CA 3.44Å; T180-C183 PolarHBondContact O-N 3.33Å |
| 181 | S | 93.7 | Very high | 83.3 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -17.3 | -179.7 | 67.5 | 0 | 0 | 0 | 0 | 115.3 | K177 F178 L179 L184 | K177-S181 WeakPolarHBondContact O-CB 3.32Å; K177-S181 PolarHBondContact O-N 2.9Å; K177-S181 PolarHBondContact O-OG 3.35Å; F178-S181 PolarHBondContact O-N 2.97Å; F178-S181 PolarHBondContact O-OG 3.46Å; L179-S181 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.38Å; S181-L184 WeakPolarHBondContact O-CD2 3.19Å |
| 182 | L | 92.8 | Very high | 81.1 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -86.1 | -31.7 | 169.2 | -63.8 | 172.1 | 0 | 0 | 0 | 111.7 | V114 F178 L179 T180 L184 | V114-L182 HydrophobicContact CG1-CD1 3.33Å; F178-L182 HydrophobicContact CD1-CD1 4.37Å; F178-L182 HydrophobicContact CE1-CD1 3.81Å; F178-L182 HydrophobicContact CZ-CD1 3.87Å; F178-L182 HydrophobicContact CZ-CG 4.41Å; F178-L182 PolarHBondContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 2.9Å; T180-L182 PolarHBondContact O-N 3.31Å; T180-L182 VanDerWaalsContact O-N 3.17Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.29Å; L182-L184 VanDerWaalsContact O-N 3.13Å |
| 183 | C | 91.2 | Very high | 78.7 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | trans | -88.5 | 50.3 | -177.3 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | L179 T180 H185 L186 | L179-C183 PolarHBondContact O-N 3.26Å; L179-C183 PolarHBondContact O-SG 2.77Å; T180-C183 CarbonylContact O-C 3.58Å; T180-C183 WeakPolarHBondContact O-CA 3.44Å; T180-C183 PolarHBondContact O-N 3.33Å; C183-H185 PolarHBondContact O-N 3.41Å; C183-L186 HydrophobicContact CB-CD1 3.54Å; C183-L186 HydrophobicContact CB-CG 3.85Å; C183-L186 VanDerWaalsContact O-CB 3.31Å; C183-L186 WeakPolarHBondContact O-CB 3.38Å; C183-L186 WeakPolarHBondContact O-CG 3.49Å; C183-L186 PolarHBondContact O-N 2.9Å | ||
| 184 | L | 87.8 | Confident | 76.3 | Confident | 126 Ų | 126 | 78.3 Ų | 78.3 | 66% | 0.66 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -56.3 | -24.7 | -175.1 | -62.1 | 176 | 0 | 0 | 0 | 113.7 | S181 L182 L186 E187 | S181-L184 WeakPolarHBondContact O-CD2 3.19Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.29Å; L182-L184 VanDerWaalsContact O-N 3.13Å; L184-L186 PolarHBondContact O-N 3.19Å; L184-E187 PolarHBondContact O-N 3.3Å |
| 185 | H | 87.5 | Confident | 73.9 | Confident | 71 Ų | 71 | 79.2 Ų | 79.2 | 33% | 0.329 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.8 | -13.9 | 174.8 | 65.8 | -66.9 | 0 | 0 | 0 | 114.1 | V136 M137 I139 C183 | V136-H185 PolarHBondContact O-CE1 3.37Å; V136-H185 PolarHBondContact O-NE2 3.36Å; M137-H185 HydrophobicContact SD-CB 4.49Å; I139-H185 PolarHBondContact O-NE2 2.88Å; C183-H185 PolarHBondContact O-N 3.41Å |
| 186 | L | 83.7 | Confident | 71.3 | Confident | 37 Ų | 37 | 84.8 Ų | 84.8 | 19% | 0.194 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -83.9 | -32.4 | 174.7 | -60.1 | -178.3 | 0 | 0 | 0 | 112.9 | I139 T140 I142 C183 L184 G188 R189 | I139-L186 HydrophobicContact CG2-CD1 4.06Å; I139-L186 WeakPolarHBondContact O-CD2 3.42Å; T140-L186 WeakPolarHBondContact O-CD2 3.46Å; I142-L186 HydrophobicContact CG1-CD1 4.15Å; C183-L186 HydrophobicContact CB-CD1 3.54Å; C183-L186 HydrophobicContact CB-CG 3.85Å; C183-L186 VanDerWaalsContact O-CB 3.31Å; C183-L186 WeakPolarHBondContact O-CB 3.38Å; C183-L186 WeakPolarHBondContact O-CG 3.49Å; C183-L186 PolarHBondContact O-N 2.9Å; L184-L186 PolarHBondContact O-N 3.19Å; L186-G188 PolarHBondContact O-N 2.92Å; L186-R189 PolarHBondContact O-N 3.44Å; L186-R189 VanDerWaalsContact O-N 3.13Å |
| 187 | E | 68.1 | Low | 69 | Low | 119 Ų | 119 | 87.3 Ų | 87.3 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -34.7 | -172.3 | -139.1 | 76.2 | -123.2 | 0 | 0 | 111.7 | L184 R189 S190 | L184-E187 PolarHBondContact O-N 3.3Å; E187-R189 VanDerWaalsContact C-N 3.29Å; E187-R189 PolarHBondContact O-N 2.84Å; E187-S190 PolarHBondContact O-OG 2.87Å |
| 188 | G | 57.1 | Low | 66.4 | Low | 79 Ų | 79 | 85.8 Ų | 85.8 | 81% | 0.814 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 7.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L186 | L186-G188 PolarHBondContact O-N 2.92Š|
| 189 | R | 53.7 | Low | 63.9 | Low | 214 Ų | 214 | 88.7 Ų | 88.7 | 81% | 0.808 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 17.8 | -177.4 | -145.7 | 173.6 | -172 | 161 | 3.2 | 114.2 | L186 E187 P191 | L186-R189 PolarHBondContact O-N 3.44Å; L186-R189 VanDerWaalsContact O-N 3.13Å; E187-R189 VanDerWaalsContact C-N 3.29Å; E187-R189 PolarHBondContact O-N 2.84Å; R189-P191 WeakPolarHBondContact O-CD 3.22Å |
| 190 | S | 47.9 | Very low | 61.2 | Low | 71 Ų | 71 | 92 Ų | 92 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | trans | -77.3 | 121.3 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | E187 C192 | E187-S190 PolarHBondContact O-OG 2.87Å; S190-C192 PolarHBondContact O-N 2.95Å | ||
| 191 | P | 47.8 | Very low | 58.6 | Low | 137 Ų | 137 | 96.8 Ų | 96.8 | 89% | 0.89 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -73.2 | 7.1 | -175.5 | -22.4 | 35.1 | 0 | 0 | 0 | 116.7 | R189 | R189-P191 WeakPolarHBondContact O-CD 3.22Š|
| 192 | C | 45.5 | Very low | 55.9 | Low | 124 Ų | 124 | 102.8 Ų | 102.8 | 84% | 0.838 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -153.5 | 58.8 | -166.9 | -156.7 | 0 | 0 | 0 | 0 | 115.1 | S190 | S190-C192 PolarHBondContact O-N 2.95Š|
| 193 | S | 41.5 | Very low | 53.2 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | trans | -158.8 | 77.5 | 156.1 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | P195 | S193-P195 VanDerWaalsContact O-CD 3.22Å; S193-P195 WeakPolarHBondContact O-CD 3.38Å | ||
| 194 | S | 41.1 | Very low | 50.6 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | trans | -74.4 | 115 | 173.1 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | V196 | S194-V196 PolarHBondContact O-N 3.48Š| ||
| 195 | P | 44.3 | Very low | 48.4 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -69.3 | 127.2 | 160.8 | 30.3 | -31.8 | 0 | 0 | 0 | 108 | S193 P197 | S193-P195 VanDerWaalsContact O-CD 3.22Å; S193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-P197 VanDerWaalsContact O-CD 3.24Å; P195-P197 WeakPolarHBondContact O-CD 3.39Å | ||
| 196 | V | 40.8 | Very low | 45.7 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 70% | 0.703 | 72% | 0.724 | S | S | * | * | trans | -95.9 | 107.3 | 175.8 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | S194 S198 | S194-V196 PolarHBondContact O-N 3.48Å; V196-S198 PolarHBondContact O-N 2.89Å | ||
| 197 | P | 45.2 | Very low | 43.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -87.7 | 77.8 | 173.2 | 35.5 | -31.9 | 0 | 0 | 0 | 109.2 | P195 S199 | P195-P197 VanDerWaalsContact O-CD 3.24Å; P195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-S199 PolarHBondContact O-N 3.43Å | ||
| 198 | S | 39.9 | Very low | 41.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -76.9 | 58.1 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | V196 A200 | V196-S198 PolarHBondContact O-N 2.89Å; S198-A200 PolarHBondContact O-N 3.25Å | ||
| 199 | S | 44 | Very low | 40.5 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 89.2 | 173 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | P197 P201 | P197-S199 PolarHBondContact O-N 3.43Å; S199-P201 WeakPolarHBondContact O-CD 3.33Å | ||
| 200 | A | 37.9 | Very low | 40.5 | Very low | 71 Ų | 71 | 131 Ų | 131 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | -80.6 | 118.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | S198 H202 | S198-A200 PolarHBondContact O-N 3.25Å; A200-H202 PolarHBondContact O-N 2.92Å | ||
| 201 | P | 39.4 | Very low | 39.8 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -84.3 | 106.9 | 178 | 32 | -31.4 | 0 | 0 | 0 | 110.6 | S199 S203 | S199-P201 WeakPolarHBondContact O-CD 3.33Å; P201-S203 PolarHBondContact O-N 3.14Å | ||
| 202 | H | 36.5 | Very low | 39 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -66.7 | 129.2 | 171.9 | -69.9 | -80.7 | 0 | 0 | 0 | 110.7 | A200 | A200-H202 PolarHBondContact O-N 2.92Š| ||
| 203 | S | 37 | Very low | 38.5 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -113.8 | 169.2 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | P201 | P201-S203 PolarHBondContact O-N 3.14Š| ||
| 204 | F | 35.9 | Very low | 38.6 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | trans | 73.8 | 82.3 | 176.7 | -68.3 | -84.6 | 0 | 0 | 0 | 119 | ||||
| 205 | R | 41 | Very low | 38.3 | Very low | 243 Ų | 243 | 140.6 Ų | 140.6 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | 55 | 101.5 | 110.1 | -168.8 | -171.1 | -134.8 | -157.2 | 4.6 | 118 | |||||
| 206 | G | 31.5 | Very low | 38.3 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -168.8 | 99.2 | 160 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 207 | Q | 37.1 | Very low | 37.9 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -84.4 | 123.1 | 166 | -87.6 | -173.6 | -31.6 | 0 | 0 | 110.2 | ||||
| 208 | R | 31.8 | Very low | 37.2 | Very low | 242 Ų | 242 | 140.2 Ų | 140.2 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | 177.6 | 133.6 | 129.3 | -100.4 | 167 | -177.2 | 172.1 | 1 | 112.4 | |||||
| 209 | S | 30 | Very low | 36.8 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -118 | 174.5 | 153.5 | -46.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 210 | P | 54.5 | Low | 36.2 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -122.1 | -172.9 | -11.3 | 41.4 | -28 | 0 | 0 | 0 | 111.8 | ||||
| 211 | L | 33.7 | Very low | 36.2 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 179.4 | 116.2 | 137.3 | -97.5 | 158.9 | 0 | 0 | 0 | 113.2 | ||||
| 212 | L | 30.3 | Very low | 35.9 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 145.3 | 146.1 | -64.6 | 172.7 | 0 | 0 | 0 | 125.4 | ||||
| 213 | T | 35.3 | Very low | 35.9 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 178.3 | 170.9 | 17.2 | 0 | 0 | 0 | 0 | 113.3 | F215 | T213-F215 HydrophobicContact CG2-CE2 4.35Š| ||
| 214 | P | 43 | Very low | 35.7 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -143 | -178.7 | 31.8 | 40.9 | -18.7 | 0 | 0 | 0 | 119.5 | ||||
| 215 | F | 34.1 | Very low | 35.4 | Very low | 184 Ų | 184 | 143 Ų | 143 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -77.4 | 174.3 | 175.8 | -46.1 | -94.1 | 0 | 0 | 0 | 113.2 | T213 | T213-F215 HydrophobicContact CG2-CE2 4.35Š| ||
| 216 | P | 44.8 | Very low | 35 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | -151 | 155.5 | 84 | 39.1 | -21.7 | 0 | 0 | 0 | 118.1 | |||||
| 217 | M | 32.4 | Very low | 34.9 | Very low | 179 Ų | 179 | 139 Ų | 139 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | 55.9 | 159.8 | 152 | -73 | 172.7 | -102.4 | 0 | 0 | 118.2 | ||||
| 218 | G | 31.7 | Very low | 34.8 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | 136.6 | 143.1 | 19 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 219 | D | 31.3 | Very low | 34.7 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | -150.6 | -174.1 | 23.2 | -70.3 | -43.8 | 0 | 0 | 0 | 114 | ||||
| 220 | F | 31.3 | Very low | 34.8 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | trans | -48.8 | 146.6 | 173.6 | -85.5 | -126.3 | 0 | 0 | 0 | 114.6 | ||||
| 221 | V | 36.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 59.1 | 115.7 | 73.1 | 179.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 222 | D | 33.3 | Very low | 33.7 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | -170.9 | -178.6 | 78.4 | -155.8 | 11.2 | 0 | 0 | 0 | 115.3 | |||||
| 223 | L | 38.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 71% | 0.707 | 75% | 0.745 | S | S | * | * | trans | 20.4 | 120.3 | 152.7 | -99.6 | 43.8 | 0 | 0 | 0 | 119.7 | ||||
| 224 | D | 31.3 | Very low | 33.7 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | 88.6 | 149 | 73.1 | -172.4 | 36.2 | 0 | 0 | 0 | 114.1 | |||||
| 225 | G | 29.7 | Very low | 33.2 | Very low | 52 Ų | 52 | 146 Ų | 146 | 54% | 0.536 | 74% | 0.736 | S | S | . | * | trans | 127.9 | 119.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 226 | V | 32.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | 82.9 | 86.5 | 128.5 | -176 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 227 | V | 29.3 | Very low | 32 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 62% | 0.618 | 73% | 0.73 | S | S | * | * | 91.1 | 137.1 | 116 | 164.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 228 | R | 36 | Very low | 31.9 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | 73.6 | 150 | 164.9 | -77.3 | 154.3 | -165.8 | 133.9 | 2.1 | 118.2 | ||||
| 229 | Q | 29.9 | Very low | 32.1 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | cis | -172.6 | 155.6 | -25.1 | 175.8 | 165.2 | -14.9 | 0 | 0 | 108.6 | ||||
| 230 | R | 31.2 | Very low | 32.3 | Very low | 223 Ų | 223 | 141.5 Ų | 141.5 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | 75.6 | 105.4 | -179.4 | -167.4 | -174.1 | -70.6 | 124.6 | -7.5 | 112.2 | ||||
| 231 | R | 35.9 | Very low | 32.3 | Very low | 190 Ų | 190 | 140 Ų | 140 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | cis | 77.3 | 92.4 | 30.4 | -162.9 | -172.1 | -178.9 | 124.1 | 7.4 | 114.9 | E233 | R231-E233 HydrophobicContact CG-CG 4Å; R231-E233 WeakPolarHBondContact CG-OE2 3.23Å; R231-E233 IonicContact CZ-OE1 3.07Å; R231-E233 IonicContact CZ-OE2 3.45Å; R231-E233 IonicContact NE-OE1 3.11Å; R231-E233 PolarHBondContact NE-OE1 3.25Å; R231-E233 VanDerWaalsContact NE-OE1 3.11Å; R231-E233 IonicContact NE-OE2 2.73Å; R231-E233 PolarHBondContact NE-OE2 2.8Å; R231-E233 IonicContact NH2-OE1 2.63Å; R231-E233 PolarHBondContact NH2-OE1 3.24Å; R231-E233 IonicContact NH2-OE2 3.37Å; R231-E233 PolarHBondContact NH2-OE2 2.72Å | ||
| 232 | Q | 29.8 | Very low | 32.4 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | -158.7 | 119 | 127.1 | -100.5 | 165.5 | -38 | 0 | 0 | 104.5 | |||||
| 233 | E | 32.5 | Very low | 32.7 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 53% | 0.528 | 73% | 0.732 | S | S | . | * | 67.8 | 133.2 | 50.8 | -57.1 | -174.4 | 135.2 | 0 | 0 | 111.3 | R231 | R231-E233 HydrophobicContact CG-CG 4Å; R231-E233 WeakPolarHBondContact CG-OE2 3.23Å; R231-E233 IonicContact CZ-OE1 3.07Å; R231-E233 IonicContact CZ-OE2 3.45Å; R231-E233 IonicContact NE-OE1 3.11Å; R231-E233 PolarHBondContact NE-OE1 3.25Å; R231-E233 VanDerWaalsContact NE-OE1 3.11Å; R231-E233 IonicContact NE-OE2 2.73Å; R231-E233 PolarHBondContact NE-OE2 2.8Å; R231-E233 IonicContact NH2-OE1 2.63Å; R231-E233 PolarHBondContact NH2-OE1 3.24Å; R231-E233 IonicContact NH2-OE2 3.37Å; R231-E233 PolarHBondContact NH2-OE2 2.72Å | |||
| 234 | L | 32.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 137 Ų | 137 | 61% | 0.607 | 73% | 0.733 | S | S | * | * | cis | -160.9 | 153.5 | 17.4 | -159.7 | 60.8 | 0 | 0 | 0 | 111.2 | ||||
| 235 | E | 32.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | 57.2 | 153.3 | 151.2 | -83.6 | 149.9 | -146.7 | 0 | 0 | 118.8 | ||||
| 236 | E | 28.4 | Very low | 33 | Very low | 141 Ų | 141 | 139 Ų | 139 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | cis | -166.5 | 158.6 | -13.9 | -132.3 | -177.1 | -161.4 | 0 | 0 | 110.3 | ||||
| 237 | N | 25.4 | Very low | 33.1 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 57.1 | 165.8 | 140.9 | -72.3 | -22.4 | 0 | 0 | 0 | 121.8 | ||||
| 238 | S | 30.3 | Very low | 33.2 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | cis | -161.2 | 178.1 | -31.8 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 239 | S | 36.2 | Very low | 33 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -86.8 | 152.4 | 177.8 | 58 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 240 | S | 36.2 | Very low | 33.3 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 72 | 110.8 | 150.6 | -174.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 241 | D | 30.4 | Very low | 33.3 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | -155.6 | 173.9 | 119.5 | -135.7 | -26.2 | 0 | 0 | 0 | 112.3 | |||||
| 242 | S | 39 | Very low | 33.1 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -119.3 | 145.1 | 174.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 243 | P | 39.8 | Very low | 33.3 | Very low | 130 Ų | 130 | 133 Ų | 133 | 84% | 0.844 | 73% | 0.734 | S | S | * | * | -149.9 | 172.7 | 93.7 | 39.8 | -23.1 | 0 | 0 | 0 | 116.1 | |||||
| 244 | A | 33.8 | Very low | 33.6 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -74.4 | 169 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 245 | P | 42.8 | Very low | 33.8 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | cis | -134.3 | 174.4 | 16.4 | 44.7 | -29.2 | 0 | 0 | 0 | 116 | ||||
| 246 | D | 29.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | -172.6 | 170.9 | 107.3 | -108 | -32.3 | 0 | 0 | 0 | 113.3 | |||||
| 247 | Y | 33.1 | Very low | 34.1 | Very low | 212 Ų | 212 | 134.6 Ų | 134.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -65.5 | 152.3 | 173.4 | -82.8 | -114.5 | 0 | 0 | 0 | 110.6 | ||||
| 248 | D | 32.5 | Very low | 34.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | -174.4 | 170.2 | 61.7 | -148.6 | -14 | 0 | 0 | 0 | 114.5 | |||||
| 249 | K | 30.6 | Very low | 34.6 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 79.9 | 152.5 | 152.8 | -125.9 | 177.2 | -173.7 | 172.3 | 0 | 122.2 | ||||
| 250 | I | 36.1 | Very low | 34.3 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | 74.7 | 96.6 | 164.3 | -61.7 | 168.7 | 0 | 0 | 0 | 114.2 | ||||
| 251 | T | 31.6 | Very low | 34.1 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | 54.1 | 127.9 | 81.8 | 66.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 252 | D | 32.3 | Very low | 34.2 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | cis | -146 | 169.6 | 15.8 | -73.7 | -66.9 | 0 | 0 | 0 | 111.5 | ||||
| 253 | L | 32.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 174.7 | 156.7 | 135.8 | -92.2 | 146.5 | 0 | 0 | 0 | 110.4 | ||||
| 254 | P | 38.8 | Very low | 33.5 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -94.9 | 159.9 | -147.5 | 35.6 | -39.5 | 0 | 0 | 0 | 117.5 | ||||
| 255 | I | 38.8 | Very low | 33.2 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -102.1 | 137.7 | 170.9 | -62.5 | 165.8 | 0 | 0 | 0 | 110.2 | ||||
| 256 | P | 38 | Very low | 32.3 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -119.3 | 108.1 | 145.6 | 31.4 | -19.8 | 0 | 0 | 0 | 110.4 | ||||
| 257 | H | 29.5 | Very low | 32.2 | Very low | 177 Ų | 177 | 151 Ų | 151 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | 71.9 | 99.7 | 100.6 | -69.9 | -61.3 | 0 | 0 | 0 | 115.8 | |||||
| 258 | F | 28.6 | Very low | 32.1 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | -175.5 | 98.2 | 110.2 | -172.2 | -94.6 | 0 | 0 | 0 | 111.3 | |||||
| 259 | L | 36.1 | Very low | 32.6 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -178.5 | 92.2 | 153.9 | -107.7 | 172.5 | 0 | 0 | 0 | 109.6 | ||||
| 260 | D | 30.4 | Very low | 32.2 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -169.9 | 119.4 | 142.4 | -112.7 | -29 | 0 | 0 | 0 | 110.2 | ||||
| 261 | A | 32.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -150.3 | 44.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 262 | L | 32.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -135 | 138.6 | 173 | -72.4 | 175.4 | 0 | 0 | 0 | 106.4 | ||||
| 263 | K | 31.1 | Very low | 32.1 | Very low | 177 Ų | 177 | 141 Ų | 141 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | cis | -163.6 | 171.2 | 15.5 | -163.5 | 178.9 | 177.9 | 178.8 | 0 | 110.6 | ||||
| 264 | Q | 32 | Very low | 31.8 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 81.1 | 152.5 | 165.5 | -43.6 | -169.2 | 46.6 | 0 | 0 | 115.3 | ||||
| 265 | K | 27.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | cis | -146.6 | 146.7 | 13.9 | -167.8 | 178.2 | -178.6 | 178.7 | 0 | 112.3 | ||||
| 266 | G | 24.8 | Very low | 30.9 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 177 | 136.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 267 | N | 27.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -107.4 | 170.2 | -176.7 | -76.5 | 12.7 | 0 | 0 | 0 | 112.6 | ||||
| 268 | S | 29.4 | Very low | 30.4 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -90 | -172 | -173.5 | 61.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 269 | P | 43.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | cis | -138.4 | 162.7 | -0.7 | 41.1 | -23.2 | 0 | 0 | 0 | 118.4 | ||||
| 270 | S | 23.2 | Very low | 30 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 40.8 | 158.9 | 135 | -142.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 271 | P | 45.9 | Very low | 30 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | cis | -129.4 | 179.1 | -43.3 | 34.8 | -17.5 | 0 | 0 | 0 | 113.5 | ||||
| 272 | E | 23.5 | Very low | 29.8 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | 163.5 | 139 | 129.3 | -84.4 | -117.5 | 100.5 | 0 | 0 | 116.1 | |||||
| 273 | Q | 26.5 | Very low | 29.5 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 56% | 0.556 | 74% | 0.739 | S | S | * | * | trans | 49.6 | 130.6 | 142.3 | -66.2 | -171.5 | 43.3 | 0 | 0 | 126.8 | ||||
| 274 | K | 26.6 | Very low | 29.6 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | trans | 91 | 118.3 | 130.1 | -82.7 | 169.2 | 178.6 | 151.6 | 0 | 123.4 | ||||
| 275 | H | 30.8 | Very low | 29.5 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 73.4 | 160.3 | 131.3 | -75.7 | -169.9 | 0 | 0 | 0 | 120 | ||||
| 276 | K | 28.1 | Very low | 29.5 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 74% | 0.735 | 73% | 0.728 | S | S | * | * | cis | 179.3 | 168 | -23.1 | -177.9 | 177.1 | 176.6 | 178.8 | 0 | 107.9 | ||||
| 277 | V | 28.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | 86.1 | 124.5 | 167.3 | -172.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 278 | K | 29.5 | Very low | 29.7 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 77% | 0.774 | 72% | 0.722 | S | S | * | * | cis | 103.9 | 140.9 | 15.5 | -168.9 | 179.3 | -179.3 | -179.3 | 0 | 114.6 | ||||
| 279 | K | 28 | Very low | 29.8 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 98.7 | 130.9 | 179.4 | -61.1 | 175.9 | 177.2 | -177.9 | 0 | 113.2 | ||||
| 280 | Q | 28.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | cis | 88.6 | 102.4 | 12.7 | -161.9 | -174.8 | 3.5 | 0 | 0 | 116.7 | ||||
| 281 | H | 29.6 | Very low | 29.3 | Very low | 167 Ų | 167 | 144 Ų | 144 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | 178.7 | 141.7 | 137.8 | -77.2 | 132.9 | 0 | 0 | 0 | 105.5 | ||||
| 282 | Q | 29.4 | Very low | 28.6 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | cis | 91.5 | 139.3 | 29.3 | -166.4 | 172 | 10.9 | 0 | 0 | 114.2 | ||||
| 283 | N | 26.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | trans | 78.4 | 155.4 | 174.7 | -78.4 | 8.1 | 0 | 0 | 0 | 119.2 | ||||
| 284 | Q | 31.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 57% | 0.57 | 74% | 0.738 | S | S | * | * | cis | -179.2 | 124.1 | -26.6 | 171 | 168.9 | 19.3 | 0 | 0 | 111 | ||||
| 285 | Q | 31.6 | Very low | 28.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | 59.1 | 169.7 | 157 | -71.8 | 165.2 | -14.6 | 0 | 0 | 117.1 | ||||
| 286 | S | 27.2 | Very low | 28.6 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | cis | -162.2 | 158 | -22.9 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 287 | G | 27.1 | Very low | 28.6 | Very low | 62 Ų | 62 | 145.4 Ų | 145.4 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | trans | 109.4 | 118.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 288 | T | 29.1 | Very low | 28.5 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | 55.6 | 140.1 | 132.6 | 54.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 289 | K | 31 | Very low | 28.3 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | cis | -153.4 | 168.3 | 10.2 | -94.7 | 139 | -177.3 | 177.4 | 0 | 106.1 | ||||
| 290 | K | 28.8 | Very low | 28.3 | Very low | 193 Ų | 193 | 141.2 Ų | 141.2 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | cis | 146.6 | 109.8 | -8.6 | 179.8 | -168.7 | -179 | -174 | 0 | 106.7 | ||||
| 291 | S | 28.1 | Very low | 28.3 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -163.3 | 112.7 | 160.1 | -148.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 292 | Q | 31 | Very low | 28.3 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 60.2 | 131 | 91.5 | -69.7 | -170.6 | -45.3 | 0 | 0 | 113.8 | |||||
| 293 | N | 25.7 | Very low | 28.4 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | cis | -155.4 | 167.7 | 16 | -111.3 | -14 | 0 | 0 | 0 | 114 | ||||
| 294 | S | 27.2 | Very low | 28.4 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 63.3 | 108 | 157 | -169.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 295 | L | 28.8 | Very low | 28.5 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | 66.7 | 129.3 | 90.1 | -138.8 | 74 | 0 | 0 | 0 | 113.3 | |||||
| 296 | R | 25.9 | Very low | 28.6 | Very low | 229 Ų | 229 | 136.7 Ų | 136.7 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -150 | 153.3 | 31.9 | -166.1 | 176.9 | -168.2 | -176.8 | 4 | 112.9 | ||||
| 297 | S | 27.3 | Very low | 29.3 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -66.9 | 142.7 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 298 | S | 26.5 | Very low | 30.1 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -136.6 | 137.1 | 149.3 | -169.3 | 0 | 0 | 0 | 0 | 107.4 | E300 | S298-E300 PolarHBondContact O-N 3.29Š| ||
| 299 | S | 26.6 | Very low | 30.6 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -71.4 | 113.6 | -166.7 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | V301 | S299-V301 VanDerWaalsContact C-N 3.35Å; S299-V301 PolarHBondContact O-N 3.38Å | ||
| 300 | E | 26 | Very low | 31.3 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -65.3 | 97.1 | 159.6 | -71 | -168.4 | 134.3 | 0 | 0 | 108.8 | S298 V302 | S298-E300 PolarHBondContact O-N 3.29Å; E300-V302 VanDerWaalsContact C-N 3.28Å; E300-V302 PolarHBondContact O-N 3.15Å | ||
| 301 | V | 29.6 | Very low | 33 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | trans | -69.6 | 94.5 | 166 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | S299 F303 | S299-V301 VanDerWaalsContact C-N 3.35Å; S299-V301 PolarHBondContact O-N 3.38Å; V301-F303 VanDerWaalsContact C-N 3.27Å; V301-F303 HydrophobicContact CG1-CD2 4.4Å; V301-F303 HydrophobicContact CG1-CE2 4.47Å; V301-F303 PolarHBondContact O-N 3.13Å | ||
| 302 | V | 29.1 | Very low | 35.2 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -60.8 | 93 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 108 | E300 D304 | E300-V302 VanDerWaalsContact C-N 3.28Å; E300-V302 PolarHBondContact O-N 3.15Å; V302-D304 PolarHBondContact O-N 2.97Å | ||
| 303 | F | 31.7 | Very low | 37.4 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 74% | 0.737 | 71% | 0.709 | S | S | * | * | trans | -64.8 | 95.8 | 159.1 | -96.7 | -83 | 0 | 0 | 0 | 106.4 | V301 S305 | V301-F303 VanDerWaalsContact C-N 3.27Å; V301-F303 HydrophobicContact CG1-CD2 4.4Å; V301-F303 HydrophobicContact CG1-CE2 4.47Å; V301-F303 PolarHBondContact O-N 3.13Å; F303-S305 PolarHBondContact O-N 2.95Å | ||
| 304 | D | 27.1 | Very low | 39.8 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 52% | 0.524 | 71% | 0.705 | S | S | . | * | trans | -61.6 | 75 | 165.3 | 174.6 | 37.8 | 0 | 0 | 0 | 108.5 | V302 R306 | V302-D304 PolarHBondContact O-N 2.97Å; D304-R306 PolarHBondContact O-N 2.89Å; D304-R306 IonicContact OD2-CZ 3.85Å; D304-R306 VanDerWaalsContact OD2-CZ 3.25Å; D304-R306 IonicContact OD2-NE 3.58Å; D304-R306 PolarHBondContact OD2-NE 3.25Å; D304-R306 IonicContact OD2-NH2 2.83Å; D304-R306 PolarHBondContact OD2-NH2 3.49Å | ||
| 305 | S | 33.4 | Very low | 42.4 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | -68 | 79.8 | 165.9 | -171.1 | 0 | 0 | 0 | 0 | 105.8 | F303 V307 | F303-S305 PolarHBondContact O-N 2.95Å; S305-V307 PolarHBondContact O-N 3.13Å | ||
| 306 | R | 34.1 | Very low | 45.3 | Very low | 193 Ų | 193 | 126 Ų | 126 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | trans | -58.9 | 88.6 | 162.4 | -93 | 175.1 | -79.4 | -172.1 | 0.2 | 106.8 | D304 M308 | D304-R306 PolarHBondContact O-N 2.89Å; D304-R306 IonicContact OD2-CZ 3.85Å; D304-R306 VanDerWaalsContact OD2-CZ 3.25Å; D304-R306 IonicContact OD2-NE 3.58Å; D304-R306 PolarHBondContact OD2-NE 3.25Å; D304-R306 IonicContact OD2-NH2 2.83Å; D304-R306 PolarHBondContact OD2-NH2 3.49Å; R306-M308 PolarHBondContact O-N 3.47Å | ||
| 307 | V | 41.6 | Very low | 48.1 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | trans | -54.6 | 87.7 | 156.1 | 179.5 | 0 | 0 | 0 | 0 | 104.9 | S305 K309 | S305-V307 PolarHBondContact O-N 3.13Å; V307-K309 PolarHBondContact O-N 3.26Å | ||
| 308 | M | 43.3 | Very low | 51.1 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 77% | 0.768 | 65% | 0.651 | S | S | * | * | trans | -56.3 | 97.6 | 161.2 | -67 | -111.6 | 67.2 | 0 | 0 | 103.7 | R306 T310 | R306-M308 PolarHBondContact O-N 3.47Å; M308-T310 PolarHBondContact O-N 3.22Å | ||
| 309 | K | 39.9 | Very low | 54.3 | Low | 183 Ų | 183 | 118.9 Ų | 118.9 | 80% | 0.796 | 63% | 0.633 | S | S | * | * | trans | -46.3 | 117.8 | -173.4 | -67.7 | 170.8 | -179.9 | 173 | 0 | 106.4 | V307 V311 | V307-K309 PolarHBondContact O-N 3.26Å; K309-V311 VanDerWaalsContact C-N 3.32Å; K309-V311 PolarHBondContact O-N 2.89Å | ||
| 310 | T | 46.6 | Very low | 57.5 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | trans | -58.7 | 103.2 | -179.9 | 37 | 0 | 0 | 0 | 0 | 106.5 | M308 S312 | M308-T310 PolarHBondContact O-N 3.22Å; T310-S312 PolarHBondContact O-N 3.46Å | ||
| 311 | V | 62.9 | Low | 60.8 | Low | 89 Ų | 89 | 117.4 Ų | 117.4 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | trans | -57.7 | 113.3 | -178.4 | 173.1 | 0 | 0 | 0 | 0 | 104.7 | K309 L313 T315 | K309-V311 VanDerWaalsContact C-N 3.32Å; K309-V311 PolarHBondContact O-N 2.89Å; V311-L313 PolarHBondContact O-N 2.88Å; V311-T315 HydrophobicContact CG1-CG2 3.65Å | ||
| 312 | S | 75.3 | Confident | 64 | Low | 56 Ų | 56 | 118.6 Ų | 118.6 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | trans | -54.2 | 144.7 | -163.7 | 79.8 | 0 | 0 | 0 | 0 | 109.5 | T310 N314 T315 L316 | T310-S312 PolarHBondContact O-N 3.46Å; S312-N314 CarbonylContact O-C 3.39Å; S312-N314 PolarHBondContact O-N 3.39Å; S312-T315 CarbonylContact O-C 3.51Å; S312-T315 WeakPolarHBondContact O-CA 3.42Å; S312-T315 WeakPolarHBondContact O-CB 3.49Å; S312-T315 PolarHBondContact O-N 3.22Å; S312-T315 PolarHBondContact OG-N 2.88Å; S312-T315 VanDerWaalsContact OG-N 3.13Å; S312-T315 PolarHBondContact OG-OG1 3.36Å; S312-L316 PolarHBondContact O-N 3.01Å | ||
| 313 | L | 77.4 | Confident | 67.1 | Low | 141 Ų | 141 | 117.8 Ų | 117.8 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -55.1 | -30.6 | -178.2 | -68.6 | 174.6 | 0 | 0 | 0 | 111.4 | V311 L316 L317 | V311-L313 PolarHBondContact O-N 2.88Å; L313-L316 HydrophobicContact CD2-CD2 4.5Å; L313-L316 PolarHBondContact O-N 2.91Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.48Å |
| 314 | N | 74.6 | Confident | 70.2 | Confident | 121 Ų | 121 | 112.5 Ų | 112.5 | 65% | 0.647 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.8 | -46 | 171.1 | -56.6 | -0.7 | 0 | 0 | 0 | 112 | S312 L317 I318 | S312-N314 CarbonylContact O-C 3.39Å; S312-N314 PolarHBondContact O-N 3.39Å; N314-L317 PolarHBondContact O-N 3.48Å; N314-I318 WeakPolarHBondContact O-CB 3.31Å; N314-I318 WeakPolarHBondContact O-CD1 3.47Å; N314-I318 WeakPolarHBondContact O-CG1 3.41Å; N314-I318 PolarHBondContact O-N 2.95Å |
| 315 | T | 83.8 | Confident | 73.5 | Confident | 62 Ų | 62 | 111 Ų | 111 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -42 | 174.7 | -48.2 | 0 | 0 | 0 | 0 | 111.9 | V311 S312 L317 I318 I319 | V311-T315 HydrophobicContact CG1-CG2 3.65Å; S312-T315 CarbonylContact O-C 3.51Å; S312-T315 WeakPolarHBondContact O-CA 3.42Å; S312-T315 WeakPolarHBondContact O-CB 3.49Å; S312-T315 PolarHBondContact O-N 3.22Å; S312-T315 PolarHBondContact OG-N 2.88Å; S312-T315 VanDerWaalsContact OG-N 3.13Å; S312-T315 PolarHBondContact OG-OG1 3.36Å; T315-L317 VanDerWaalsContact C-N 3.35Å; T315-I318 PolarHBondContact O-N 3.26Å; T315-I319 HydrophobicContact CG2-CD1 4.25Å; T315-I319 WeakPolarHBondContact O-CG1 3.47Å; T315-I319 PolarHBondContact O-N 3.39Å |
| 316 | L | 87.8 | Confident | 76.5 | Confident | 97 Ų | 97 | 109.5 Ų | 109.5 | 51% | 0.508 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 176 | -176 | 64.1 | 0 | 0 | 0 | 111.4 | S312 L313 I319 Y320 | S312-L316 PolarHBondContact O-N 3.01Å; L313-L316 HydrophobicContact CD2-CD2 4.5Å; L313-L316 PolarHBondContact O-N 2.91Å; L316-I319 PolarHBondContact O-N 2.97Å; L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 3.45Å |
| 317 | L | 85.6 | Confident | 79.4 | Confident | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 175.4 | -172.7 | 152.5 | 0 | 0 | 0 | 111.5 | L313 N314 T315 Y320 M321 | L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.48Å; N314-L317 PolarHBondContact O-N 3.48Å; T315-L317 VanDerWaalsContact C-N 3.35Å; L317-Y320 PolarHBondContact O-N 3.45Å; L317-M321 HydrophobicContact CD2-CG 3.88Å; L317-M321 WeakPolarHBondContact O-CB 3.24Å; L317-M321 VanDerWaalsContact O-CG 3.24Å; L317-M321 WeakPolarHBondContact O-CG 3.35Å; L317-M321 PolarHBondContact O-N 3.09Å |
| 318 | I | 91.1 | Very high | 82.1 | Confident | 113 Ų | 113 | 104.4 Ų | 104.4 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 172.9 | -71.8 | 161.7 | 0 | 0 | 0 | 110.9 | N314 T315 M321 F322 | N314-I318 WeakPolarHBondContact O-CB 3.31Å; N314-I318 WeakPolarHBondContact O-CD1 3.47Å; N314-I318 WeakPolarHBondContact O-CG1 3.41Å; N314-I318 PolarHBondContact O-N 2.95Å; T315-I318 PolarHBondContact O-N 3.26Å; I318-M321 PolarHBondContact O-N 3.04Å; I318-F322 WeakPolarHBondContact O-CB 3.37Å; I318-F322 PolarHBondContact O-N 3.28Å |
| 319 | I | 94 | Very high | 84.6 | Confident | 82 Ų | 82 | 102.7 Ų | 102.7 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.4 | -68 | 162.7 | 0 | 0 | 0 | 110.7 | T315 L316 F322 L323 | T315-I319 HydrophobicContact CG2-CD1 4.25Å; T315-I319 WeakPolarHBondContact O-CG1 3.47Å; T315-I319 PolarHBondContact O-N 3.39Å; L316-I319 PolarHBondContact O-N 2.97Å; I319-F322 PolarHBondContact O-N 3.25Å; I319-L323 HydrophobicContact CG2-CD1 4.08Å; I319-L323 WeakPolarHBondContact O-CG 3.37Å; I319-L323 PolarHBondContact O-N 3.11Å |
| 320 | Y | 93.4 | Very high | 87.2 | Confident | 149 Ų | 149 | 96.7 Ų | 96.7 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 176.4 | 178.6 | -99.8 | 0 | 0 | 0 | 112.3 | L316 L317 F322 L323 V324 | L316-Y320 WeakPolarHBondContact O-CB 3.44Å; L316-Y320 PolarHBondContact O-N 3.45Å; L317-Y320 PolarHBondContact O-N 3.45Å; Y320-F322 VanDerWaalsContact C-N 3.32Å; Y320-F322 PolarHBondContact O-N 3.13Å; Y320-L323 PolarHBondContact O-N 2.94Å; Y320-V324 HydrophobicContact CD1-CG2 4.27Å; Y320-V324 HydrophobicContact CE1-CG2 3.82Å; Y320-V324 HydrophobicContact CE2-CG2 4.17Å; Y320-V324 WeakPolarHBondContact O-CG2 3.22Å; Y320-V324 PolarHBondContact O-N 3.22Å |
| 321 | M | 94.3 | Very high | 89.6 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 176 | -69.9 | -67.4 | -71.4 | 0 | 0 | 111.4 | L317 I318 V324 C325 | L317-M321 HydrophobicContact CD2-CG 3.88Å; L317-M321 WeakPolarHBondContact O-CB 3.24Å; L317-M321 VanDerWaalsContact O-CG 3.24Å; L317-M321 WeakPolarHBondContact O-CG 3.35Å; L317-M321 PolarHBondContact O-N 3.09Å; I318-M321 PolarHBondContact O-N 3.04Å; M321-V324 PolarHBondContact O-N 3.45Å; M321-C325 WeakPolarHBondContact O-CB 3.39Å; M321-C325 PolarHBondContact O-N 2.99Å; M321-C325 PolarHBondContact O-SG 2.88Å |
| 322 | F | 96.3 | Very high | 91.1 | Very high | 137 Ų | 137 | 94.4 Ų | 94.4 | 60% | 0.601 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 174 | 178.8 | -97.6 | 0 | 0 | 0 | 112.2 | I318 I319 Y320 V324 C325 V326 | I318-F322 WeakPolarHBondContact O-CB 3.37Å; I318-F322 PolarHBondContact O-N 3.28Å; I319-F322 PolarHBondContact O-N 3.25Å; Y320-F322 VanDerWaalsContact C-N 3.32Å; Y320-F322 PolarHBondContact O-N 3.13Å; F322-V324 PolarHBondContact O-N 2.85Å; F322-C325 PolarHBondContact O-N 3.37Å; F322-V326 HydrophobicContact CD1-CG2 4.23Å; F322-V326 HydrophobicContact CE1-CG2 3.8Å; F322-V326 HydrophobicContact CE2-CG2 4.27Å; F322-V326 HydrophobicContact CZ-CG2 3.82Å; F322-V326 WeakPolarHBondContact O-CG2 3.41Å; F322-V326 PolarHBondContact O-N 3.38Å |
| 323 | L | 95.7 | Very high | 92.1 | Very high | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.5 | -71.4 | 169.2 | 0 | 0 | 0 | 112.3 | I319 Y320 V326 L327 | I319-L323 HydrophobicContact CG2-CD1 4.08Å; I319-L323 WeakPolarHBondContact O-CG 3.37Å; I319-L323 PolarHBondContact O-N 3.11Å; Y320-L323 PolarHBondContact O-N 2.94Å; L323-V326 PolarHBondContact O-N 3.45Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 PolarHBondContact O-N 3.42Å |
| 324 | V | 96.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 96 Ų | 96 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | Y320 M321 F322 V326 L327 V328 | Y320-V324 HydrophobicContact CD1-CG2 4.27Å; Y320-V324 HydrophobicContact CE1-CG2 3.82Å; Y320-V324 HydrophobicContact CE2-CG2 4.17Å; Y320-V324 WeakPolarHBondContact O-CG2 3.22Å; Y320-V324 PolarHBondContact O-N 3.22Å; M321-V324 PolarHBondContact O-N 3.45Å; F322-V324 PolarHBondContact O-N 2.85Å; V324-V326 PolarHBondContact O-N 3.3Å; V324-L327 PolarHBondContact O-N 2.82Å; V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.41Å; V324-V328 PolarHBondContact O-N 3.34Å |
| 325 | C | 96.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 92.8 Ų | 92.8 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.2 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | M321 F322 L327 V328 L329 | M321-C325 WeakPolarHBondContact O-CB 3.39Å; M321-C325 PolarHBondContact O-N 2.99Å; M321-C325 PolarHBondContact O-SG 2.88Å; F322-C325 PolarHBondContact O-N 3.37Å; C325-L327 VanDerWaalsContact C-N 3.33Å; C325-L327 PolarHBondContact O-N 2.88Å; C325-V328 PolarHBondContact O-N 3.27Å; C325-L329 WeakPolarHBondContact O-CB 3.33Å; C325-L329 VanDerWaalsContact O-CG 3.24Å; C325-L329 WeakPolarHBondContact O-CG 3.32Å; C325-L329 PolarHBondContact O-N 2.99Å |
| 326 | V | 96.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 96.6 Ų | 96.6 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | F322 L323 V324 S330 | F322-V326 HydrophobicContact CD1-CG2 4.23Å; F322-V326 HydrophobicContact CE1-CG2 3.8Å; F322-V326 HydrophobicContact CE2-CG2 4.27Å; F322-V326 HydrophobicContact CZ-CG2 3.82Å; F322-V326 WeakPolarHBondContact O-CG2 3.41Å; F322-V326 PolarHBondContact O-N 3.38Å; L323-V326 PolarHBondContact O-N 3.45Å; V324-V326 PolarHBondContact O-N 3.3Å; V326-S330 WeakPolarHBondContact O-CB 3.48Å; V326-S330 PolarHBondContact O-N 3.33Å; V326-S330 PolarHBondContact O-OG 2.9Å |
| 327 | L | 95.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.3 | -39.1 | 177.1 | -172.2 | 151.3 | 0 | 0 | 0 | 112.5 | L323 V324 C325 S330 S331 | L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 PolarHBondContact O-N 3.42Å; V324-L327 PolarHBondContact O-N 2.82Å; C325-L327 VanDerWaalsContact C-N 3.33Å; C325-L327 PolarHBondContact O-N 2.88Å; L327-S330 PolarHBondContact O-OG 3.27Å; L327-S330 VanDerWaalsContact O-OG 3.09Å; L327-S331 VanDerWaalsContact O-CB 3.32Å; L327-S331 WeakPolarHBondContact O-CB 3.47Å; L327-S331 PolarHBondContact O-N 2.86Å |
| 328 | V | 96.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 96.9 Ų | 96.9 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V324 C325 S330 S331 C332 | V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.41Å; V324-V328 PolarHBondContact O-N 3.34Å; C325-V328 PolarHBondContact O-N 3.27Å; V328-S330 PolarHBondContact O-N 3.09Å; V328-S331 WeakPolarHBondContact O-CB 3.24Å; V328-S331 PolarHBondContact O-N 3.06Å; V328-C332 PolarHBondContact O-N 3.37Å; V328-C332 PolarHBondContact O-SG 3.11Å |
| 329 | L | 95.7 | Very high | 94.8 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -37.4 | 178.2 | -72 | 170.4 | 0 | 0 | 0 | 112.6 | C325 Y333 | C325-L329 WeakPolarHBondContact O-CB 3.33Å; C325-L329 VanDerWaalsContact O-CG 3.24Å; C325-L329 WeakPolarHBondContact O-CG 3.32Å; C325-L329 PolarHBondContact O-N 2.99Å; L329-Y333 WeakPolarHBondContact O-CB 3.44Å; L329-Y333 PolarHBondContact O-N 3.43Å |
| 330 | S | 95.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71 | -36.6 | 175.1 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | V326 L327 V328 Y333 L334 | V326-S330 WeakPolarHBondContact O-CB 3.48Å; V326-S330 PolarHBondContact O-N 3.33Å; V326-S330 PolarHBondContact O-OG 2.9Å; L327-S330 PolarHBondContact O-OG 3.27Å; L327-S330 VanDerWaalsContact O-OG 3.09Å; V328-S330 PolarHBondContact O-N 3.09Å; S330-Y333 PolarHBondContact O-N 3.04Å; S330-L334 WeakPolarHBondContact O-CB 3.44Å; S330-L334 VanDerWaalsContact O-CG 3.3Å; S330-L334 WeakPolarHBondContact O-CG 3.3Å; S330-L334 PolarHBondContact O-N 3.45Å |
| 331 | S | 96.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 90 Ų | 90 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 170.5 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | L327 V328 Y333 L334 A335 | L327-S331 VanDerWaalsContact O-CB 3.32Å; L327-S331 WeakPolarHBondContact O-CB 3.47Å; L327-S331 PolarHBondContact O-N 2.86Å; V328-S331 WeakPolarHBondContact O-CB 3.24Å; V328-S331 PolarHBondContact O-N 3.06Å; S331-Y333 PolarHBondContact O-N 3.43Å; S331-L334 PolarHBondContact O-N 2.93Å; S331-A335 PolarHBondContact O-N 3.25Å |
| 332 | C | 95.6 | Very high | 93.9 | Very high | 75 Ų | 75 | 90.1 Ų | 90.1 | 51% | 0.507 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 174.4 | -67 | 0 | 0 | 0 | 0 | 112.6 | V328 A335 F336 | V328-C332 PolarHBondContact O-N 3.37Å; V328-C332 PolarHBondContact O-SG 3.11Å; C332-A335 PolarHBondContact O-N 2.73Å; C332-F336 WeakPolarHBondContact O-CB 3.33Å; C332-F336 PolarHBondContact O-N 2.63Å |
| 333 | Y | 95.5 | Very high | 93.4 | Very high | 124 Ų | 124 | 89.9 Ų | 89.9 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 175.1 | 173.9 | -102.4 | 0 | 0 | 0 | 112.3 | L329 S330 S331 R337 | L329-Y333 WeakPolarHBondContact O-CB 3.44Å; L329-Y333 PolarHBondContact O-N 3.43Å; S330-Y333 PolarHBondContact O-N 3.04Å; S331-Y333 PolarHBondContact O-N 3.43Å; Y333-R337 HydrophobicContact CD1-CG 4.31Å; Y333-R337 HydrophobicContact CD2-CG 4.42Å; Y333-R337 HydrophobicContact CE1-CG 3.88Å; Y333-R337 HydrophobicContact CE2-CG 3.99Å; Y333-R337 VanDerWaalsContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CG 3.32Å; Y333-R337 PolarHBondContact O-N 3.25Å; Y333-R337 PolarHBondContact OH-NE 3.24Å; Y333-R337 PolarHBondContact OH-NH2 3.45Å |
| 334 | L | 93.3 | Very high | 92.6 | Very high | 107 Ų | 107 | 90.8 Ų | 90.8 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 173.7 | -73.9 | 169.5 | 0 | 0 | 0 | 111.3 | S330 S331 R337 I338 | S330-L334 WeakPolarHBondContact O-CB 3.44Å; S330-L334 VanDerWaalsContact O-CG 3.3Å; S330-L334 WeakPolarHBondContact O-CG 3.3Å; S330-L334 PolarHBondContact O-N 3.45Å; S331-L334 PolarHBondContact O-N 2.93Å; L334-R337 WeakPolarHBondContact O-CB 3.32Å; L334-R337 PolarHBondContact O-N 3.12Å; L334-I338 VanDerWaalsContact O-CG1 3.32Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 2.93Å |
| 335 | A | 92.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 94.1 Ų | 94.1 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | S331 C332 R337 I338 V339 | S331-A335 PolarHBondContact O-N 3.25Å; C332-A335 PolarHBondContact O-N 2.73Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 3.2Å; A335-I338 PolarHBondContact O-N 2.83Å; A335-V339 PolarHBondContact O-N 2.89Å |
| 336 | F | 94.3 | Very high | 90.8 | Very high | 141 Ų | 141 | 95.7 Ų | 95.7 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -36.9 | 174.2 | 179.4 | -97.5 | 0 | 0 | 0 | 112.4 | C332 V339 S340 | C332-F336 WeakPolarHBondContact O-CB 3.33Å; C332-F336 PolarHBondContact O-N 2.63Å; F336-V339 PolarHBondContact O-N 3.5Å; F336-S340 VanDerWaalsContact O-CB 3.24Å; F336-S340 WeakPolarHBondContact O-CB 3.19Å; F336-S340 PolarHBondContact O-N 2.86Å |
| 337 | R | 93 | Very high | 89.7 | Confident | 115 Ų | 115 | 98.2 Ų | 98.2 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 174.3 | -86.1 | -70.6 | -173.2 | 168 | 1.5 | 112.5 | Y333 L334 A335 L341 | Y333-R337 HydrophobicContact CD1-CG 4.31Å; Y333-R337 HydrophobicContact CD2-CG 4.42Å; Y333-R337 HydrophobicContact CE1-CG 3.88Å; Y333-R337 HydrophobicContact CE2-CG 3.99Å; Y333-R337 VanDerWaalsContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CB 3.26Å; Y333-R337 WeakPolarHBondContact O-CG 3.32Å; Y333-R337 PolarHBondContact O-N 3.25Å; Y333-R337 PolarHBondContact OH-NE 3.24Å; Y333-R337 PolarHBondContact OH-NH2 3.45Å; L334-R337 WeakPolarHBondContact O-CB 3.32Å; L334-R337 PolarHBondContact O-N 3.12Å; A335-R337 VanDerWaalsContact C-N 3.31Å; A335-R337 PolarHBondContact O-N 3.2Å; R337-L341 VanDerWaalsContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 WeakPolarHBondContact O-CD1 3.47Å; R337-L341 WeakPolarHBondContact O-CG 3.32Å; R337-L341 PolarHBondContact O-N 2.99Å |
| 338 | I | 91.7 | Very high | 88.4 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -54.8 | 173.7 | -69.8 | 162.1 | 0 | 0 | 0 | 109.2 | L334 A335 S340 L341 E342 | L334-I338 VanDerWaalsContact O-CG1 3.32Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 2.93Å; A335-I338 PolarHBondContact O-N 2.83Å; I338-S340 VanDerWaalsContact C-N 3.3Å; I338-S340 PolarHBondContact O-N 3.49Å; I338-L341 CarbonylContact O-C 3.57Å; I338-L341 WeakPolarHBondContact O-CA 3.44Å; I338-L341 WeakPolarHBondContact O-CB 3.47Å; I338-L341 PolarHBondContact O-N 2.9Å; I338-E342 HydrophobicContact CG2-CG 4.24Å; I338-E342 WeakPolarHBondContact CG2-OE1 3.47Å; I338-E342 WeakPolarHBondContact O-CG 3.38Å; I338-E342 PolarHBondContact O-N 2.93Å |
| 339 | V | 91.9 | Very high | 87 | Confident | 69 Ų | 69 | 95.1 Ų | 95.1 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 178.8 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | A335 F336 L341 E342 Q343 | A335-V339 PolarHBondContact O-N 2.89Å; F336-V339 PolarHBondContact O-N 3.5Å; V339-L341 VanDerWaalsContact C-N 3.34Å; V339-L341 PolarHBondContact O-N 3.26Å; V339-E342 PolarHBondContact O-N 3.06Å; V339-Q343 WeakPolarHBondContact O-CB 3.42Å; V339-Q343 WeakPolarHBondContact O-CG 3.41Å; V339-Q343 PolarHBondContact O-N 2.78Å |
| 340 | S | 87.1 | Confident | 85.3 | Confident | 30 Ų | 30 | 92 Ų | 92 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -71.1 | -26 | 176.7 | -174.3 | 0 | 0 | 0 | 0 | 113.5 | F336 I338 K344 | F336-S340 VanDerWaalsContact O-CB 3.24Å; F336-S340 WeakPolarHBondContact O-CB 3.19Å; F336-S340 PolarHBondContact O-N 2.86Å; I338-S340 VanDerWaalsContact C-N 3.3Å; I338-S340 PolarHBondContact O-N 3.49Å; S340-K344 WeakPolarHBondContact O-CG 3.3Å |
| 341 | L | 88.2 | Confident | 83.5 | Confident | 100 Ų | 100 | 93.7 Ų | 93.7 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -78.7 | -43.4 | 171.2 | -76.5 | 166.1 | 0 | 0 | 0 | 110.9 | R337 I338 V339 Q343 K344 L345 | R337-L341 VanDerWaalsContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 WeakPolarHBondContact O-CD1 3.47Å; R337-L341 WeakPolarHBondContact O-CG 3.32Å; R337-L341 PolarHBondContact O-N 2.99Å; I338-L341 CarbonylContact O-C 3.57Å; I338-L341 WeakPolarHBondContact O-CA 3.44Å; I338-L341 WeakPolarHBondContact O-CB 3.47Å; I338-L341 PolarHBondContact O-N 2.9Å; V339-L341 VanDerWaalsContact C-N 3.34Å; V339-L341 PolarHBondContact O-N 3.26Å; L341-Q343 PolarHBondContact O-N 3.03Å; L341-K344 CarbonylContact O-C 3.59Å; L341-K344 WeakPolarHBondContact O-CB 3.46Å; L341-K344 PolarHBondContact O-N 2.99Å; L341-K344 VanDerWaalsContact O-N 3.12Å; L341-L345 WeakPolarHBondContact O-CB 3.36Å; L341-L345 PolarHBondContact O-N 3.37Å |
| 342 | E | 88.6 | Confident | 81.6 | Confident | 107 Ų | 107 | 93.1 Ų | 93.1 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 174.4 | -73.3 | 171.9 | 162.7 | 0 | 0 | 110.9 | I338 V339 K344 L345 T346 | I338-E342 HydrophobicContact CG2-CG 4.24Å; I338-E342 WeakPolarHBondContact CG2-OE1 3.47Å; I338-E342 WeakPolarHBondContact O-CG 3.38Å; I338-E342 PolarHBondContact O-N 2.93Å; V339-E342 PolarHBondContact O-N 3.06Å; E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 PolarHBondContact O-N 2.9Å; E342-L345 CarbonylContact O-C 3.5Å; E342-L345 WeakPolarHBondContact O-CA 3.47Å; E342-L345 WeakPolarHBondContact O-CB 3.42Å; E342-L345 PolarHBondContact O-N 2.77Å; E342-T346 PolarHBondContact O-N 2.82Å; E342-T346 PolarHBondContact O-OG1 3.33Å; E342-T346 VanDerWaalsContact O-OG1 3.06Å |
| 343 | Q | 85.1 | Confident | 79.4 | Confident | 132 Ų | 132 | 95.1 Ų | 95.1 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.7 | -36.8 | 175.6 | -75.3 | 176.1 | -16.7 | 0 | 0 | 113 | V339 L341 M347 | V339-Q343 WeakPolarHBondContact O-CB 3.42Å; V339-Q343 WeakPolarHBondContact O-CG 3.41Å; V339-Q343 PolarHBondContact O-N 2.78Å; L341-Q343 PolarHBondContact O-N 3.03Å; Q343-M347 PolarHBondContact O-N 3.5Å |
| 344 | K | 79.6 | Confident | 77.2 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.5 | -34.6 | 174.1 | -71.9 | 175.7 | -178.8 | -171.8 | 0 | 112.1 | S340 L341 E342 M347 L348 | S340-K344 WeakPolarHBondContact O-CG 3.3Å; L341-K344 CarbonylContact O-C 3.59Å; L341-K344 WeakPolarHBondContact O-CB 3.46Å; L341-K344 PolarHBondContact O-N 2.99Å; L341-K344 VanDerWaalsContact O-N 3.12Å; E342-K344 VanDerWaalsContact C-N 3.26Å; E342-K344 PolarHBondContact O-N 2.9Å; K344-M347 PolarHBondContact O-N 3.2Å; K344-L348 WeakPolarHBondContact O-CD1 3.49Å; K344-L348 PolarHBondContact O-N 3.11Å |
| 345 | L | 76.6 | Confident | 75.3 | Confident | 126 Ų | 126 | 95.2 Ų | 95.2 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.8 | -35.4 | 174.7 | -117 | 156 | 0 | 0 | 0 | 111.7 | L341 E342 G349 | L341-L345 WeakPolarHBondContact O-CB 3.36Å; L341-L345 PolarHBondContact O-N 3.37Å; E342-L345 CarbonylContact O-C 3.5Å; E342-L345 WeakPolarHBondContact O-CA 3.47Å; E342-L345 WeakPolarHBondContact O-CB 3.42Å; E342-L345 PolarHBondContact O-N 2.77Å; L345-G349 WeakPolarHBondContact O-CA 3.46Å; L345-G349 PolarHBondContact O-N 3.46Å |
| 346 | T | 77.8 | Confident | 73.1 | Confident | 101 Ų | 101 | 100.1 Ų | 100.1 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -40.3 | 170.1 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | E342 G349 S350 | E342-T346 PolarHBondContact O-N 2.82Å; E342-T346 PolarHBondContact O-OG1 3.33Å; E342-T346 VanDerWaalsContact O-OG1 3.06Å; T346-G349 PolarHBondContact O-N 2.93Å; T346-S350 PolarHBondContact O-N 2.89Å |
| 347 | M | 73.1 | Confident | 70.6 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -48.4 | 173.8 | -177.9 | -178.1 | 173.1 | 0 | 0 | 111.6 | Q343 K344 G349 S350 I351 | Q343-M347 PolarHBondContact O-N 3.5Å; K344-M347 PolarHBondContact O-N 3.2Å; M347-G349 VanDerWaalsContact C-N 3.33Å; M347-G349 PolarHBondContact O-N 3.29Å; M347-S350 PolarHBondContact O-N 3.5Å; M347-S350 PolarHBondContact O-OG 2.97Å; M347-I351 PolarHBondContact O-N 2.9Å |
| 348 | L | 69.1 | Low | 68.1 | Low | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -35.3 | 174.9 | -93.4 | 63 | 0 | 0 | 0 | 112.2 | K344 I351 S352 | K344-L348 WeakPolarHBondContact O-CD1 3.49Å; K344-L348 PolarHBondContact O-N 3.11Å; L348-I351 WeakPolarHBondContact O-CA 3.44Å; L348-I351 WeakPolarHBondContact O-CB 3.47Å; L348-I351 PolarHBondContact O-N 3.4Å; L348-I351 VanDerWaalsContact O-N 3.11Å; L348-S352 PolarHBondContact O-N 2.73Å; L348-S352 PolarHBondContact O-OG 2.97Å |
| 349 | G | 67.6 | Low | 65.7 | Low | 23 Ų | 23 | 102.5 Ų | 102.5 | 24% | 0.237 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L345 T346 M347 I351 S352 D353 | L345-G349 WeakPolarHBondContact O-CA 3.46Å; L345-G349 PolarHBondContact O-N 3.46Å; T346-G349 PolarHBondContact O-N 2.93Å; M347-G349 VanDerWaalsContact C-N 3.33Å; M347-G349 PolarHBondContact O-N 3.29Å; G349-I351 PolarHBondContact O-N 3.42Å; G349-S352 WeakPolarHBondContact CA-OG 3.36Å; G349-S352 PolarHBondContact O-N 3.07Å; G349-S352 PolarHBondContact O-OG 3.37Å; G349-D353 PolarHBondContact O-N 3.41Å |
| 350 | S | 59.5 | Low | 63.5 | Low | 55 Ų | 55 | 103.4 Ų | 103.4 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -31.6 | 174.4 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | T346 M347 D353 F354 | T346-S350 PolarHBondContact O-N 2.89Å; M347-S350 PolarHBondContact O-N 3.5Å; M347-S350 PolarHBondContact O-OG 2.97Å; S350-D353 PolarHBondContact O-N 2.76Å; S350-F354 WeakPolarHBondContact O-CB 3.41Å; S350-F354 WeakPolarHBondContact O-CD2 3.3Å; S350-F354 PolarHBondContact O-N 3.38Å |
| 351 | I | 57.9 | Low | 61.3 | Low | 93 Ų | 93 | 110.3 Ų | 110.3 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.2 | -38.4 | 173.3 | -69.9 | 168 | 0 | 0 | 0 | 111.2 | M347 L348 G349 F354 T355 | M347-I351 PolarHBondContact O-N 2.9Å; L348-I351 WeakPolarHBondContact O-CA 3.44Å; L348-I351 WeakPolarHBondContact O-CB 3.47Å; L348-I351 PolarHBondContact O-N 3.4Å; L348-I351 VanDerWaalsContact O-N 3.11Å; G349-I351 PolarHBondContact O-N 3.42Å; I351-F354 PolarHBondContact O-N 3.21Å; I351-T355 PolarHBondContact O-N 3.04Å; I351-T355 PolarHBondContact O-OG1 3.49Å |
| 352 | S | 55.4 | Low | 59 | Low | 61 Ų | 61 | 113.5 Ų | 113.5 | 43% | 0.427 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.9 | -33.3 | 173 | 45 | 0 | 0 | 0 | 0 | 113.8 | L348 G349 T355 H356 | L348-S352 PolarHBondContact O-N 2.73Å; L348-S352 PolarHBondContact O-OG 2.97Å; G349-S352 WeakPolarHBondContact CA-OG 3.36Å; G349-S352 PolarHBondContact O-N 3.07Å; G349-S352 PolarHBondContact O-OG 3.37Å; S352-T355 WeakPolarHBondContact CA-OG1 3.46Å; S352-T355 PolarHBondContact O-OG1 3.21Å; S352-H356 PolarHBondContact O-N 3.46Å; S352-H356 VanDerWaalsContact O-N 3.11Å |
| 353 | D | 49.5 | Very low | 57 | Low | 116 Ų | 116 | 114.6 Ų | 114.6 | 62% | 0.62 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.6 | -37.4 | 172.8 | -67.4 | -35.5 | 0 | 0 | 0 | 111 | G349 S350 H356 H357 | G349-D353 PolarHBondContact O-N 3.41Å; S350-D353 PolarHBondContact O-N 2.76Å; D353-H356 PolarHBondContact O-N 3.16Å; D353-H357 PolarHBondContact O-N 3.01Å |
| 354 | F | 50.2 | Low | 54.9 | Low | 145 Ų | 145 | 111.9 Ų | 111.9 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.3 | -44.5 | 173.4 | -98.7 | -83.5 | 0 | 0 | 0 | 112.8 | S350 I351 H356 H357 E358 | S350-F354 WeakPolarHBondContact O-CB 3.41Å; S350-F354 WeakPolarHBondContact O-CD2 3.3Å; S350-F354 PolarHBondContact O-N 3.38Å; I351-F354 PolarHBondContact O-N 3.21Å; F354-H356 PolarHBondContact O-N 3.32Å; F354-H357 CarbonylContact O-C 3.56Å; F354-H357 PolarHBondContact O-N 3.45Å; F354-E358 PolarHBondContact O-N 3.07Å |
| 355 | T | 52 | Low | 53.4 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 54% | 0.54 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.4 | -25.5 | 175.5 | 46.4 | 0 | 0 | 0 | 0 | 113 | I351 S352 H357 S359 | I351-T355 PolarHBondContact O-N 3.04Å; I351-T355 PolarHBondContact O-OG1 3.49Å; S352-T355 WeakPolarHBondContact CA-OG1 3.46Å; S352-T355 PolarHBondContact O-OG1 3.21Å; T355-H357 VanDerWaalsContact C-N 3.26Å; T355-H357 PolarHBondContact O-N 3.1Å; T355-S359 PolarHBondContact O-N 3Å |
| 356 | H | 46.4 | Very low | 52.2 | Low | 157 Ų | 157 | 109.4 Ų | 109.4 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -31.6 | 170.2 | -123.5 | -62.3 | 0 | 0 | 0 | 112.6 | S352 D353 F354 S359 | S352-H356 PolarHBondContact O-N 3.46Å; S352-H356 VanDerWaalsContact O-N 3.11Å; D353-H356 PolarHBondContact O-N 3.16Å; F354-H356 PolarHBondContact O-N 3.32Å; H356-S359 PolarHBondContact O-OG 3.13Å |
| 357 | H | 42 | Very low | 51 | Low | 161 Ų | 161 | 109.9 Ų | 109.9 | 75% | 0.745 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -98.1 | -22 | -178.1 | -151.1 | -50.9 | 0 | 0 | 0 | 114.7 | D353 F354 T355 S359 | D353-H357 PolarHBondContact O-N 3.01Å; F354-H357 CarbonylContact O-C 3.56Å; F354-H357 PolarHBondContact O-N 3.45Å; T355-H357 VanDerWaalsContact C-N 3.26Å; T355-H357 PolarHBondContact O-N 3.1Å; H357-S359 VanDerWaalsContact C-N 3.34Å |
| 358 | E | 41.7 | Very low | 50.3 | Low | 144 Ų | 144 | 109.5 Ų | 109.5 | 67% | 0.673 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.8 | -7 | 170.3 | -77.9 | -143.2 | 111.2 | 0 | 0 | 113.9 | F354 S360 F361 | F354-E358 PolarHBondContact O-N 3.07Å; E358-S360 PolarHBondContact O-N 3.06Å; E358-F361 PolarHBondContact O-N 3.27Å |
| 359 | S | 40.7 | Very low | 49.7 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 66% | 0.657 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -0.6 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 116.6 | T355 H356 H357 | T355-S359 PolarHBondContact O-N 3Å; H356-S359 PolarHBondContact O-OG 3.13Å; H357-S359 VanDerWaalsContact C-N 3.34Å |
| 360 | S | 45.1 | Very low | 49.4 | Very low | 89 Ų | 89 | 114 Ų | 114 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -18 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 115.5 | E358 | E358-S360 PolarHBondContact O-N 3.06Š|
| 361 | F | 41.8 | Very low | 49.7 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 77% | 0.768 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -143 | 121.2 | -173.8 | -72.8 | -76.6 | 0 | 0 | 0 | 115.6 | E358 | E358-F361 PolarHBondContact O-N 3.27Š|
| 362 | L | 39.6 | Very low | 50.3 | Low | 167 Ų | 167 | 119 Ų | 119 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | trans | 78.5 | 136.4 | 169.4 | -58.1 | 173.7 | 0 | 0 | 0 | 117.9 | ||||
| 363 | P | 46.5 | Very low | 50.8 | Low | 130 Ų | 130 | 123.3 Ų | 123.3 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | trans | -93.2 | 138 | -178.9 | 35.7 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 364 | G | 41.6 | Very low | 51.9 | Low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 68% | 0.677 | S | S | * | * | trans | -174.4 | 53.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 365 | S | 48.2 | Very low | 53.2 | Low | 94 Ų | 94 | 120.6 Ų | 120.6 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | trans | 38.5 | 112.8 | 159.1 | -170.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 366 | P | 51.2 | Low | 54.5 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | -137.8 | 10.9 | 129.8 | 39.4 | -28.7 | 0 | 0 | 0 | 115.4 | V368 | P366-V368 VanDerWaalsContact C-N 3.26Å; P366-V368 PolarHBondContact O-N 3.35Å | |||
| 367 | D | 53.1 | Low | 56 | Low | 111 Ų | 111 | 118 Ų | 118 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -52.5 | -34.1 | -163.4 | -61.6 | -67.6 | 0 | 0 | 0 | 116.1 | N369 T370 E371 | D367-N369 VanDerWaalsContact C-N 3.29Å; D367-N369 PolarHBondContact O-N 3.09Å; D367-N369 VanDerWaalsContact O-N 3.16Å; D367-T370 PolarHBondContact O-N 3.38Å; D367-T370 VanDerWaalsContact O-N 3.07Å; D367-T370 PolarHBondContact O-OG1 3.13Å; D367-E371 PolarHBondContact O-N 3.21Å; D367-E371 VanDerWaalsContact O-N 3.11Å |
| 368 | V | 56.6 | Low | 58 | Low | 110 Ų | 110 | 112.6 Ų | 112.6 | 67% | 0.667 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.4 | -32.7 | -167.6 | -153.7 | 0 | 0 | 0 | 0 | 113.8 | P366 L372 | P366-V368 VanDerWaalsContact C-N 3.26Å; P366-V368 PolarHBondContact O-N 3.35Å; V368-L372 WeakPolarHBondContact O-CB 3.29Å; V368-L372 PolarHBondContact O-N 3.29Å |
| 369 | N | 56.9 | Low | 60.1 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.2 | -36.1 | 178.5 | -86.8 | -46.4 | 0 | 0 | 0 | 112.6 | D367 F373 | D367-N369 VanDerWaalsContact C-N 3.29Å; D367-N369 PolarHBondContact O-N 3.09Å; D367-N369 VanDerWaalsContact O-N 3.16Å; N369-F373 PolarHBondContact O-N 3.04Å |
| 370 | T | 60.8 | Low | 62 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69 | -41.8 | 179.2 | 14.2 | 0 | 0 | 0 | 0 | 111.9 | D367 F373 S374 | D367-T370 PolarHBondContact O-N 3.38Å; D367-T370 VanDerWaalsContact O-N 3.07Å; D367-T370 PolarHBondContact O-OG1 3.13Å; T370-F373 PolarHBondContact O-N 3.37Å; T370-S374 PolarHBondContact O-N 3.16Å; T370-S374 VanDerWaalsContact O-N 3.1Å |
| 371 | E | 67.1 | Low | 64.1 | Low | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.2 | -46.5 | 178.9 | -168.3 | 163.9 | -147.8 | 0 | 0 | 111.5 | D367 F373 S374 E375 | D367-E371 PolarHBondContact O-N 3.21Å; D367-E371 VanDerWaalsContact O-N 3.11Å; E371-F373 VanDerWaalsContact C-N 3.31Å; E371-F373 PolarHBondContact O-N 3.36Å; E371-S374 WeakPolarHBondContact O-CB 3.3Å; E371-S374 PolarHBondContact O-N 3.09Å; E371-S374 VanDerWaalsContact O-N 3.13Å; E371-E375 PolarHBondContact O-N 3.34Å |
| 372 | L | 69.7 | Low | 66.2 | Low | 110 Ų | 110 | 106.1 Ų | 106.1 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.4 | -37.3 | 177 | -169.1 | 73.1 | 0 | 0 | 0 | 112.8 | V368 L376 | V368-L372 WeakPolarHBondContact O-CB 3.29Å; V368-L372 PolarHBondContact O-N 3.29Å; L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 PolarHBondContact O-N 3Å |
| 373 | F | 66.1 | Low | 68.6 | Low | 153 Ų | 153 | 104.2 Ų | 104.2 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.6 | -36.5 | 176.7 | -129.3 | -84.8 | 0 | 0 | 0 | 112.2 | N369 T370 E371 L377 | N369-F373 PolarHBondContact O-N 3.04Å; T370-F373 PolarHBondContact O-N 3.37Å; E371-F373 VanDerWaalsContact C-N 3.31Å; E371-F373 PolarHBondContact O-N 3.36Å; F373-L377 VanDerWaalsContact O-CB 3.3Å; F373-L377 WeakPolarHBondContact O-CB 3.39Å; F373-L377 PolarHBondContact O-N 2.88Å |
| 374 | S | 73.4 | Confident | 70.5 | Confident | 84 Ų | 84 | 103.7 Ų | 103.7 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.9 | -48.9 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | T370 E371 L376 L377 A378 | T370-S374 PolarHBondContact O-N 3.16Å; T370-S374 VanDerWaalsContact O-N 3.1Å; E371-S374 WeakPolarHBondContact O-CB 3.3Å; E371-S374 PolarHBondContact O-N 3.09Å; E371-S374 VanDerWaalsContact O-N 3.13Å; S374-L376 PolarHBondContact O-N 3.39Å; S374-L377 PolarHBondContact O-N 3.18Å; S374-A378 PolarHBondContact O-N 3.35Å |
| 375 | E | 76.3 | Confident | 72.7 | Confident | 120 Ų | 120 | 104.3 Ų | 104.3 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.6 | -45.8 | 178.3 | -170.8 | -179.3 | -155.8 | 0 | 0 | 111.7 | E371 L377 A378 I379 | E371-E375 PolarHBondContact O-N 3.34Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 2.97Å; E375-A378 PolarHBondContact O-N 2.94Å; E375-I379 HydrophobicContact CG-CD1 4.05Å; E375-I379 VanDerWaalsContact O-CG1 3.32Å; E375-I379 WeakPolarHBondContact O-CG1 3.4Å; E375-I379 PolarHBondContact O-N 3.5Å |
| 376 | L | 80.4 | Confident | 74.7 | Confident | 89 Ų | 89 | 107.7 Ų | 107.7 | 47% | 0.466 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.4 | -36.5 | 176.4 | -177.9 | 60.3 | 0 | 0 | 0 | 112.3 | L372 S374 N380 | L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.42Å; L372-L376 PolarHBondContact O-N 3Å; S374-L376 PolarHBondContact O-N 3.39Å; L376-N380 PolarHBondContact O-N 3.49Å; L376-N380 VanDerWaalsContact O-N 3.09Å; L376-N380 PolarHBondContact O-ND2 3.23Å |
| 377 | L | 77.6 | Confident | 76.6 | Confident | 100 Ų | 100 | 107.1 Ų | 107.1 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.6 | -40.6 | 177.8 | -164.4 | 148.2 | 0 | 0 | 0 | 111.3 | F373 S374 E375 N380 L381 | F373-L377 VanDerWaalsContact O-CB 3.3Å; F373-L377 WeakPolarHBondContact O-CB 3.39Å; F373-L377 PolarHBondContact O-N 2.88Å; S374-L377 PolarHBondContact O-N 3.18Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 2.97Å; L377-N380 PolarHBondContact O-N 3.19Å; L377-L381 HydrophobicContact CD2-CD1 3.76Å; L377-L381 HydrophobicContact CD2-CG 4.28Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.18Å |
| 378 | A | 83.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 108 Ų | 108 | 40% | 0.397 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -43.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S374 E375 N380 L381 L382 | S374-A378 PolarHBondContact O-N 3.35Å; E375-A378 PolarHBondContact O-N 2.94Å; A378-N380 VanDerWaalsContact C-N 3.29Å; A378-N380 PolarHBondContact O-N 3.45Å; A378-L381 PolarHBondContact O-N 2.67Å; A378-L382 PolarHBondContact O-N 3.39Å |
| 379 | I | 86.1 | Confident | 79.7 | Confident | 73 Ų | 73 | 109.1 Ų | 109.1 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.6 | -39.4 | 175.3 | -71.2 | 166 | 0 | 0 | 0 | 111.4 | E375 K383 | E375-I379 HydrophobicContact CG-CD1 4.05Å; E375-I379 VanDerWaalsContact O-CG1 3.32Å; E375-I379 WeakPolarHBondContact O-CG1 3.4Å; E375-I379 PolarHBondContact O-N 3.5Å; I379-K383 WeakPolarHBondContact O-CG 3.46Å; I379-K383 PolarHBondContact O-N 3.4Å; I379-K383 VanDerWaalsContact O-N 3.13Å |
| 380 | N | 80.6 | Confident | 81.1 | Confident | 75 Ų | 75 | 107.4 Ų | 107.4 | 40% | 0.401 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.6 | -35.2 | 179.2 | -73.9 | -42.1 | 0 | 0 | 0 | 112.9 | L376 L377 A378 K383 L384 | L376-N380 PolarHBondContact O-N 3.49Å; L376-N380 VanDerWaalsContact O-N 3.09Å; L376-N380 PolarHBondContact O-ND2 3.23Å; L377-N380 PolarHBondContact O-N 3.19Å; A378-N380 VanDerWaalsContact C-N 3.29Å; A378-N380 PolarHBondContact O-N 3.45Å; N380-K383 PolarHBondContact O-N 2.91Å; N380-L384 PolarHBondContact O-N 2.85Å |
| 381 | L | 89.1 | Confident | 82.2 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 55% | 0.55 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 171.7 | -73.3 | 171.9 | 0 | 0 | 0 | 111.9 | L377 A378 K383 L384 E385 | L377-L381 HydrophobicContact CD2-CD1 3.76Å; L377-L381 HydrophobicContact CD2-CG 4.28Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.18Å; A378-L381 PolarHBondContact O-N 2.67Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 3.11Å; L381-L384 WeakPolarHBondContact O-CB 3.31Å; L381-L384 PolarHBondContact O-N 2.73Å; L381-L384 VanDerWaalsContact O-N 3.09Å; L381-E385 PolarHBondContact O-N 3.38Å |
| 382 | L | 86.6 | Confident | 82.9 | Confident | 114 Ų | 114 | 105.8 Ų | 105.8 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.8 | -35.3 | 176.1 | -76 | 166.7 | 0 | 0 | 0 | 112.7 | A378 K386 | A378-L382 PolarHBondContact O-N 3.39Å; L382-K386 WeakPolarHBondContact O-CB 3.32Å; L382-K386 PolarHBondContact O-N 2.95Å; L382-K386 VanDerWaalsContact O-N 3.15Å |
| 383 | K | 88.9 | Confident | 83.7 | Confident | 126 Ų | 126 | 108.1 Ų | 108.1 | 55% | 0.548 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 171.8 | -77.4 | 174.7 | -179.8 | 173 | 0 | 111.9 | I379 N380 L381 K386 V387 | I379-K383 WeakPolarHBondContact O-CG 3.46Å; I379-K383 PolarHBondContact O-N 3.4Å; I379-K383 VanDerWaalsContact O-N 3.13Å; N380-K383 PolarHBondContact O-N 2.91Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 3.11Å; K383-K386 PolarHBondContact O-N 3.21Å; K383-V387 WeakPolarHBondContact O-CG2 3.26Å; K383-V387 PolarHBondContact O-N 3.06Å |
| 384 | L | 86.3 | Confident | 84.5 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -47.6 | 177.2 | -110.9 | 68.8 | 0 | 0 | 0 | 111.8 | N380 L381 K386 V387 Q388 | N380-L384 PolarHBondContact O-N 2.85Å; L381-L384 WeakPolarHBondContact O-CB 3.31Å; L381-L384 PolarHBondContact O-N 2.73Å; L381-L384 VanDerWaalsContact O-N 3.09Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 2.86Å; L384-V387 PolarHBondContact O-N 3Å; L384-V387 VanDerWaalsContact O-N 3.16Å; L384-Q388 PolarHBondContact O-N 3.32Å |
| 385 | E | 89.3 | Confident | 84.6 | Confident | 87 Ų | 87 | 107.2 Ų | 107.2 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 178.6 | -163.7 | -158.2 | 144.9 | 0 | 0 | 111.7 | L381 Q388 K389 | L381-E385 PolarHBondContact O-N 3.38Å; E385-Q388 PolarHBondContact O-N 3.2Å; E385-K389 HydrophobicContact CG-CD 4.47Å; E385-K389 WeakPolarHBondContact O-CB 3.41Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 3.11Å; E385-K389 VanDerWaalsContact OE1-CE 3.27Å; E385-K389 WeakPolarHBondContact OE1-CE 3.47Å; E385-K389 IonicContact OE1-NZ 2.61Å; E385-K389 PolarHBondContact OE1-NZ 3.22Å |
| 386 | K | 88.6 | Confident | 84.8 | Confident | 164 Ų | 164 | 107.5 Ų | 107.5 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.3 | -35 | 177 | -167.3 | 170.8 | -174.9 | 174.4 | 0 | 112.8 | L382 K383 L384 N390 | L382-K386 WeakPolarHBondContact O-CB 3.32Å; L382-K386 PolarHBondContact O-N 2.95Å; L382-K386 VanDerWaalsContact O-N 3.15Å; K383-K386 PolarHBondContact O-N 3.21Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 2.86Å; K386-N390 WeakPolarHBondContact O-CB 3.48Å; K386-N390 PolarHBondContact O-N 3.25Å |
| 387 | V | 91.3 | Very high | 84.7 | Confident | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 172.4 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | K383 L384 K389 N390 L391 | K383-V387 WeakPolarHBondContact O-CG2 3.26Å; K383-V387 PolarHBondContact O-N 3.06Å; L384-V387 PolarHBondContact O-N 3Å; L384-V387 VanDerWaalsContact O-N 3.16Å; V387-K389 PolarHBondContact O-N 3.35Å; V387-N390 PolarHBondContact O-N 3.33Å; V387-L391 HydrophobicContact CG1-CD1 4.02Å; V387-L391 PolarHBondContact O-N 3.07Å |
| 388 | Q | 87.6 | Confident | 84.2 | Confident | 131 Ų | 131 | 108.8 Ų | 108.8 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 176.8 | -177.6 | -179.9 | -15.8 | 0 | 0 | 111.7 | L384 E385 N390 L391 Q392 | L384-Q388 PolarHBondContact O-N 3.32Å; E385-Q388 PolarHBondContact O-N 3.2Å; Q388-N390 VanDerWaalsContact C-N 3.27Å; Q388-N390 PolarHBondContact O-N 3.5Å; Q388-L391 PolarHBondContact O-N 2.78Å; Q388-Q392 WeakPolarHBondContact O-CB 3.46Å; Q388-Q392 PolarHBondContact O-N 3.03Å |
| 389 | K | 87.9 | Confident | 82.8 | Confident | 132 Ų | 132 | 113.5 Ų | 113.5 | 57% | 0.574 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -28.8 | 176.4 | -77.2 | 174.5 | 169.4 | 173.2 | 0 | 113.6 | E385 V387 R393 | E385-K389 HydrophobicContact CG-CD 4.47Å; E385-K389 WeakPolarHBondContact O-CB 3.41Å; E385-K389 WeakPolarHBondContact O-CG 3.37Å; E385-K389 PolarHBondContact O-N 3.11Å; E385-K389 VanDerWaalsContact OE1-CE 3.27Å; E385-K389 WeakPolarHBondContact OE1-CE 3.47Å; E385-K389 IonicContact OE1-NZ 2.61Å; E385-K389 PolarHBondContact OE1-NZ 3.22Å; V387-K389 PolarHBondContact O-N 3.35Å; K389-R393 PolarHBondContact O-N 3.25Å |
| 390 | N | 86.1 | Confident | 82.7 | Confident | 95 Ų | 95 | 115.6 Ų | 115.6 | 51% | 0.508 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75.3 | -45.3 | 175.2 | -160.9 | -18.7 | 0 | 0 | 0 | 111.2 | K386 V387 Q388 Q392 R393 L394 | K386-N390 WeakPolarHBondContact O-CB 3.48Å; K386-N390 PolarHBondContact O-N 3.25Å; V387-N390 PolarHBondContact O-N 3.33Å; Q388-N390 VanDerWaalsContact C-N 3.27Å; Q388-N390 PolarHBondContact O-N 3.5Å; N390-Q392 VanDerWaalsContact C-N 3.32Å; N390-Q392 PolarHBondContact O-N 2.95Å; N390-R393 PolarHBondContact O-N 2.94Å; N390-L394 WeakPolarHBondContact O-CG 3.39Å; N390-L394 PolarHBondContact O-N 2.97Å |
| 391 | L | 85.1 | Confident | 82.8 | Confident | 103 Ų | 103 | 117.7 Ų | 117.7 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.1 | -41.2 | 172.1 | -87.7 | 157 | 0 | 0 | 0 | 112.9 | V387 Q388 L394 L395 | V387-L391 HydrophobicContact CG1-CD1 4.02Å; V387-L391 PolarHBondContact O-N 3.07Å; Q388-L391 PolarHBondContact O-N 2.78Å; L391-L394 PolarHBondContact O-N 2.93Å; L391-L395 PolarHBondContact O-N 3.26Å |
| 392 | Q | 80.8 | Confident | 82.4 | Confident | 103 Ų | 103 | 118.4 Ų | 118.4 | 48% | 0.481 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -57.3 | -49.1 | 174 | -171.9 | 75.5 | 31.3 | 0 | 0 | 111.1 | Q388 N390 L394 L395 E396 | Q388-Q392 WeakPolarHBondContact O-CB 3.46Å; Q388-Q392 PolarHBondContact O-N 3.03Å; N390-Q392 VanDerWaalsContact C-N 3.32Å; N390-Q392 PolarHBondContact O-N 2.95Å; Q392-L394 PolarHBondContact O-N 3.15Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.33Å; Q392-E396 PolarHBondContact NE2-OE1 2.93Å; Q392-E396 PolarHBondContact O-N 3.23Å; Q392-E396 VanDerWaalsContact O-N 3.07Å |
| 393 | R | 85.8 | Confident | 82.2 | Confident | 158 Ų | 158 | 118.6 Ų | 118.6 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -38.1 | -179.9 | -171.1 | 177.7 | -176.8 | 139.4 | 4.1 | 113 | K389 N390 L395 E396 E397 | K389-R393 PolarHBondContact O-N 3.25Å; N390-R393 PolarHBondContact O-N 2.94Å; R393-L395 VanDerWaalsContact C-N 3.28Å; R393-L395 PolarHBondContact O-N 3.41Å; R393-E396 PolarHBondContact O-N 2.76Å; R393-E397 IonicContact NE-OE1 3.54Å; R393-E397 PolarHBondContact O-N 2.88Å |
| 394 | L | 83.5 | Confident | 81.8 | Confident | 98 Ų | 98 | 118.2 Ų | 118.2 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69 | -25.1 | 175.4 | -70.7 | 169.5 | 0 | 0 | 0 | 113 | N390 L391 Q392 A398 | N390-L394 WeakPolarHBondContact O-CG 3.39Å; N390-L394 PolarHBondContact O-N 2.97Å; L391-L394 PolarHBondContact O-N 2.93Å; Q392-L394 PolarHBondContact O-N 3.15Å; L394-A398 VanDerWaalsContact O-CB 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.27Å |
| 395 | L | 74.9 | Confident | 81.5 | Confident | 121 Ų | 121 | 118.1 Ų | 118.1 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.4 | -35.2 | 169.2 | -80.5 | 163.6 | 0 | 0 | 0 | 112 | L391 Q392 R393 A398 | L391-L395 PolarHBondContact O-N 3.26Å; Q392-L395 WeakPolarHBondContact O-CB 3.47Å; Q392-L395 PolarHBondContact O-N 3.33Å; R393-L395 VanDerWaalsContact C-N 3.28Å; R393-L395 PolarHBondContact O-N 3.41Å; L395-A398 PolarHBondContact O-N 2.85Å |
| 396 | E | 82.1 | Confident | 80.9 | Confident | 125 Ų | 125 | 120.3 Ų | 120.3 | 58% | 0.584 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.7 | -29.6 | 176.5 | -71.6 | 166.3 | -168.1 | 0 | 0 | 112.9 | Q392 R393 A398 | Q392-E396 PolarHBondContact NE2-OE1 2.93Å; Q392-E396 PolarHBondContact O-N 3.23Å; Q392-E396 VanDerWaalsContact O-N 3.07Å; R393-E396 PolarHBondContact O-N 2.76Å; E396-A398 VanDerWaalsContact C-N 3.28Å; E396-A398 PolarHBondContact O-N 2.61Å |
| 397 | E | 77.4 | Confident | 80.3 | Confident | 134 Ų | 134 | 116.9 Ų | 116.9 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.2 | 171.8 | -74.1 | 176.1 | 176.9 | 0 | 0 | 113.6 | R393 | R393-E397 IonicContact NE-OE1 3.54Å; R393-E397 PolarHBondContact O-N 2.88Å |
| 398 | A | 67.7 | Low | 79.4 | Confident | 83 Ų | 83 | 119.2 Ų | 119.2 | 69% | 0.686 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 10.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L394 L395 E396 | L394-A398 VanDerWaalsContact O-CB 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.27Å; L395-A398 PolarHBondContact O-N 2.85Å; E396-A398 VanDerWaalsContact C-N 3.28Å; E396-A398 PolarHBondContact O-N 2.61Å |
| 399 | A | 54.2 | Low | 78.7 | Confident | 147 Ų | 147 | 118.1 Ų | 118.1 | 100% | 1.215 | 63% | 0.632 | S | S | * | * | trans | -119 | 0 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 399 of 399 residues in 251.3 ms
(Link to these results)