| 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 | 34.9 | Very low | 40.4 | Very low | 250 Ų | 250 | 172.1 Ų | 172.1 | 100% | 1.232 | 83% | 0.828 | S | S | * | * | 0 | 134.2 | 0 | -68.7 | 166.2 | 174 | 0 | 0 | 107.2 | |||||
| 2 | S | 39.3 | Very low | 40.1 | Very low | 117 Ų | 117 | 167 Ų | 167 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -134.8 | 159 | -2.4 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 3 | Y | 37.2 | Very low | 39.8 | Very low | 196 Ų | 196 | 167.3 Ų | 167.3 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 157.2 | 161.3 | -86 | -113.3 | 0 | 0 | 0 | 110.4 | ||||
| 4 | D | 35 | Very low | 39.6 | Very low | 137 Ų | 137 | 166.4 Ų | 166.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | 163.6 | 118.9 | 119.2 | -81.2 | -17.9 | 0 | 0 | 0 | 109.2 | |||||
| 5 | Q | 45.2 | Very low | 39.8 | Very low | 165 Ų | 165 | 164.1 Ų | 164.1 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | 55.7 | 104.9 | 69.5 | -71.7 | -155.6 | -6.7 | 0 | 0 | 114.7 | |||||
| 6 | R | 33.8 | Very low | 39.6 | Very low | 244 Ų | 244 | 163.1 Ų | 163.1 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -145.8 | 111.4 | 157.6 | -64.6 | -170.4 | -173.6 | 176.1 | 3.7 | 111.3 | ||||
| 7 | Y | 38.3 | Very low | 39.1 | Very low | 213 Ų | 213 | 164.7 Ų | 164.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -86.9 | 154.6 | 149.2 | -82.2 | -82.7 | 0 | 0 | 0 | 107.8 | ||||
| 8 | P | 50.7 | Low | 38.6 | Very low | 125 Ų | 125 | 159.9 Ų | 159.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | -148.8 | 159.3 | 86.1 | 38.5 | -20 | 0 | 0 | 0 | 117.1 | |||||
| 9 | F | 38.8 | Very low | 38.2 | Very low | 185 Ų | 185 | 155.9 Ų | 155.9 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -93.4 | 173.2 | 154.4 | -93.9 | -79.9 | 0 | 0 | 0 | 108.6 | ||||
| 10 | P | 51.4 | Low | 38.2 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | cis | -126.9 | -133.9 | 27.3 | 25.7 | 2.9 | 0 | 0 | 0 | 112.7 | ||||
| 11 | Q | 39.9 | Very low | 38 | Very low | 157 Ų | 157 | 157.2 Ų | 157.2 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | cis | -166.2 | 101 | 10.2 | -162 | 162.5 | -1.6 | 0 | 0 | 115.5 | ||||
| 12 | V | 36.3 | Very low | 37.7 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 67% | 0.673 | 80% | 0.801 | S | S | * | * | trans | 56.2 | 174 | 160.3 | -98.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 13 | F | 36.2 | Very low | 37.3 | Very low | 171 Ų | 171 | 152 Ų | 152 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | cis | -153 | 154.5 | 6.9 | -117.4 | -49.9 | 0 | 0 | 0 | 111.3 | ||||
| 14 | L | 37.3 | Very low | 37 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | 64.1 | 158.2 | 157.5 | -64.7 | 163.9 | 0 | 0 | 0 | 117 | ||||
| 15 | V | 42.6 | Very low | 36.7 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | cis | -122.5 | 155.3 | 11 | 173.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 16 | D | 36.8 | Very low | 36 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -105.8 | 134.3 | 172.6 | 171.6 | 33.6 | 0 | 0 | 0 | 110.7 | ||||
| 17 | E | 30.9 | Very low | 35.9 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -157.8 | 134 | 160.6 | -163.4 | 173.1 | -166.7 | 0 | 0 | 113.4 | ||||
| 18 | G | 29.9 | Very low | 36.5 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 101.3 | 90.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 19 | G | 31.1 | Very low | 35.6 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -160.2 | 5.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 20 | G | 37.8 | Very low | 35.7 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 39.1 | 100.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 21 | R | 33.7 | Very low | 35.4 | Very low | 260 Ų | 260 | 135.7 Ų | 135.7 | 98% | 0.981 | 79% | 0.785 | S | S | * | * | -156.2 | 84 | 118.6 | -162.5 | 172.3 | -174.3 | -173 | 1.2 | 110.8 | |||||
| 22 | G | 29.9 | Very low | 36.1 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -121.8 | -171.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 23 | E | 29.5 | Very low | 36.7 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -71.7 | 157.7 | -167.5 | -56.3 | 173.9 | 114.6 | 0 | 0 | 115.4 | ||||
| 24 | S | 31.4 | Very low | 37.2 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 69 | 165.7 | 160.7 | 84 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 25 | A | 29.5 | Very low | 37.7 | Very low | 76 Ų | 76 | 132 Ų | 132 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | cis | -146.2 | 166.8 | 6.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 26 | T | 30.2 | Very low | 37.4 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 127.7 | 149.9 | -52.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 27 | Q | 31.1 | Very low | 38.2 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -100 | -155.8 | 176.6 | -138.3 | -156.1 | 13.7 | 0 | 0 | 110.1 | ||||
| 28 | P | 51.4 | Low | 38.8 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | trans | -93 | 178.1 | -148.1 | 43.4 | -37.9 | 0 | 0 | 0 | 114.1 | ||||
| 29 | N | 30.9 | Very low | 39.2 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -96.9 | 125.4 | 151.7 | -82.1 | -39.8 | 0 | 0 | 0 | 109.6 | ||||
| 30 | L | 42.1 | Very low | 39.7 | Very low | 137 Ų | 137 | 141 Ų | 141 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | 66.7 | 134.1 | 103.9 | -53.6 | 176.2 | 0 | 0 | 0 | 114.7 | |||||
| 31 | I | 45.3 | Very low | 39.7 | Very low | 135 Ų | 135 | 145 Ų | 145 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -158.5 | 158 | -8.6 | -122.3 | 172.8 | 0 | 0 | 0 | 108.5 | ||||
| 32 | P | 53.9 | Low | 39.9 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | trans | -95.9 | 164.2 | -179.5 | 37.8 | -33.7 | 0 | 0 | 0 | 114.5 | ||||
| 33 | C | 48.5 | Very low | 40.3 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -132.4 | 120.5 | 176.9 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 34 | W | 47.9 | Very low | 40.6 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | 76.1 | 126.9 | 80.8 | -73.6 | 114.7 | 0 | 0 | 0 | 111.9 | F36 | W34-F36 HydrophobicContact CZ3-CE1 4.21Å; W34-F36 HydrophobicContact CZ3-CE2 4.44Å; W34-F36 AromaticContact CZ3-CZ 3.91Å; W34-F36 HydrophobicContact CZ3-CZ 3.91Å | |||
| 35 | S | 46.9 | Very low | 40.8 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | -156.7 | -167.5 | 6.8 | -40.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 36 | F | 37.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | cis | -164 | 132.4 | -10.3 | -121.1 | -39.5 | 0 | 0 | 0 | 109.2 | W34 | W34-F36 HydrophobicContact CZ3-CE1 4.21Å; W34-F36 HydrophobicContact CZ3-CE2 4.44Å; W34-F36 AromaticContact CZ3-CZ 3.91Å; W34-F36 HydrophobicContact CZ3-CZ 3.91Å | ||
| 37 | P | 52.7 | Low | 41.2 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -132 | -175.1 | 168 | 29.8 | -9.7 | 0 | 0 | 0 | 116.1 | ||||
| 38 | Q | 42.8 | Very low | 41.7 | Very low | 201 Ų | 201 | 148.6 Ų | 148.6 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -76.6 | 162.2 | -163.9 | -61.8 | 176.6 | -11.6 | 0 | 0 | 117.5 | ||||
| 39 | A | 40 | Very low | 41.1 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -162.2 | 171 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 40 | R | 40.3 | Very low | 41.9 | Very low | 226 Ų | 226 | 155.3 Ų | 155.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 85.7 | 146.7 | 172.3 | -59.7 | -169 | 175.7 | -159.4 | -0.1 | 116.6 | ||||
| 41 | E | 37.5 | Very low | 41.8 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -120.7 | 143 | 4.2 | -66.8 | -174.9 | 144.3 | 0 | 0 | 110.1 | ||||
| 42 | T | 38.9 | Very low | 42 | Very low | 116 Ų | 116 | 152 Ų | 152 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | 52 | 128.8 | 63.5 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 43 | V | 37.3 | Very low | 41.8 | Very low | 114 Ų | 114 | 156 Ų | 156 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | cis | -163.8 | 160.8 | 0.3 | 97.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 44 | R | 37.1 | Very low | 42.3 | Very low | 230 Ų | 230 | 154.2 Ų | 154.2 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | cis | -139.6 | -147 | 18.9 | -121.6 | 160.1 | -162.6 | 155.3 | 3.8 | 107.4 | ||||
| 45 | S | 35.9 | Very low | 42.8 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | cis | -157.6 | 153.1 | 4.5 | 102.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 46 | R | 35.5 | Very low | 43.9 | Very low | 244 Ų | 244 | 147.5 Ų | 147.5 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 54.6 | 88.3 | 139.5 | -152.9 | 179.9 | -154.3 | 174.2 | 5.9 | 121.3 | ||||
| 47 | S | 32.5 | Very low | 45.5 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | -145.5 | 149.5 | 127.7 | -162.3 | 0 | 0 | 0 | 0 | 112.8 | S49 | S47-S49 PolarHBondContact O-N 3.49Š| |||
| 48 | K | 41.1 | Very low | 46.5 | Very low | 191 Ų | 191 | 142 Ų | 142 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -48.5 | 115.3 | -168.6 | -65.3 | 161.9 | -179 | 176.9 | 0 | 113.2 | ||||
| 49 | S | 39.6 | Very low | 48.4 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 54.4 | 92.9 | 85.1 | 74.1 | 0 | 0 | 0 | 0 | 114.4 | S47 | S47-S49 PolarHBondContact O-N 3.49Š| |||
| 50 | R | 47.1 | Very low | 50.6 | Low | 264 Ų | 264 | 136 Ų | 136 | 100% | 0.996 | 74% | 0.737 | S | S | * | * | trans | -92.1 | 124.9 | 171.2 | -171.7 | 179.2 | -173.6 | 179.1 | 1.8 | 108.4 | ||||
| 51 | G | 40.6 | Very low | 52.8 | Low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | -163 | 106.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 52 | C | 48.4 | Very low | 55.2 | Low | 128 Ų | 128 | 126.6 Ų | 126.6 | 87% | 0.865 | 71% | 0.706 | S | S | * | * | trans | 47.6 | 106.8 | 164.2 | -153.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 53 | M | 49.7 | Very low | 57.7 | Low | 194 Ų | 194 | 124.5 Ų | 124.5 | 96% | 0.956 | 69% | 0.693 | S | S | * | * | -142 | 124.3 | 112.8 | -145.6 | 171.8 | -170.7 | 0 | 0 | 108.7 | V55 | M53-V55 PolarHBondContact O-N 3.07Š| |||
| 54 | G | 58.7 | Low | 60.4 | Low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | trans | -95.9 | 94.3 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 55 | V | 58.5 | Low | 63 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | trans | -131.8 | 132.6 | 151.8 | -171.9 | 0 | 0 | 0 | 0 | 106.6 | M53 L59 V60 | M53-V55 PolarHBondContact O-N 3.07Å; V55-L59 HydrophobicContact CG1-CB 3.85Å; V55-L59 HydrophobicContact CG1-CD1 4.49Å; V55-V60 HydrophobicContact CB-CG2 4.19Å; V55-V60 HydrophobicContact CG1-CG2 3.68Å | ||
| 56 | S | 70.4 | Confident | 65.8 | Low | 59 Ų | 59 | 117.8 Ų | 117.8 | 41% | 0.413 | 66% | 0.659 | S | S | . | * | trans | -69.2 | 141.4 | 176.6 | 72.9 | 0 | 0 | 0 | 0 | 109.5 | S58 L59 V60 | S56-S58 PolarHBondContact O-N 3.12Å; S56-S58 VanDerWaalsContact O-N 3.09Å; S56-L59 PolarHBondContact O-N 2.8Å; S56-L59 WeakPolarHBondContact OG-CG 3.42Å; S56-L59 PolarHBondContact OG-N 3.37Å; S56-L59 VanDerWaalsContact OG-N 3.13Å; S56-V60 PolarHBondContact O-N 2.79Å; S56-V60 VanDerWaalsContact O-N 3.1Å | ||
| 57 | C | 70.6 | Confident | 68.6 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 72% | 0.723 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57.3 | -29.4 | 176.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | V60 M61 | C57-V60 PolarHBondContact O-N 3.12Å; C57-M61 WeakPolarHBondContact O-CB 3.42Å; C57-M61 VanDerWaalsContact O-CG 3.28Å; C57-M61 WeakPolarHBondContact O-CG 3.37Å; C57-M61 PolarHBondContact O-N 2.82Å |
| 58 | S | 74.8 | Confident | 71.6 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -58.3 | -51 | 170.4 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | S56 V60 M61 I62 | S56-S58 PolarHBondContact O-N 3.12Å; S56-S58 VanDerWaalsContact O-N 3.09Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.47Å; S58-M61 PolarHBondContact O-N 2.75Å; S58-I62 VanDerWaalsContact O-CG1 3.28Å; S58-I62 WeakPolarHBondContact O-CG1 3.35Å; S58-I62 PolarHBondContact O-N 2.77Å |
| 59 | L | 81.4 | Confident | 74.1 | Confident | 98 Ų | 98 | 108.3 Ų | 108.3 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.1 | -39.8 | 176.3 | -76.3 | 169.2 | 0 | 0 | 0 | 112.3 | V55 S56 I62 V63 | V55-L59 HydrophobicContact CG1-CB 3.85Å; V55-L59 HydrophobicContact CG1-CD1 4.49Å; S56-L59 PolarHBondContact O-N 2.8Å; S56-L59 WeakPolarHBondContact OG-CG 3.42Å; S56-L59 PolarHBondContact OG-N 3.37Å; S56-L59 VanDerWaalsContact OG-N 3.13Å; L59-I62 PolarHBondContact O-N 2.79Å; L59-V63 WeakPolarHBondContact O-CB 3.38Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.04Å |
| 60 | V | 85.9 | Confident | 76.7 | Confident | 70 Ų | 70 | 106.6 Ų | 106.6 | 42% | 0.424 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.1 | -44.9 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 111 | V55 S56 C57 S58 V63 L64 | V55-V60 HydrophobicContact CB-CG2 4.19Å; V55-V60 HydrophobicContact CG1-CG2 3.68Å; S56-V60 PolarHBondContact O-N 2.79Å; S56-V60 VanDerWaalsContact O-N 3.1Å; C57-V60 PolarHBondContact O-N 3.12Å; S58-V60 VanDerWaalsContact C-N 3.33Å; S58-V60 PolarHBondContact O-N 3.47Å; V60-V63 PolarHBondContact O-N 2.95Å; V60-L64 HydrophobicContact CG1-CD1 4.16Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.95Å |
| 61 | M | 86.8 | Confident | 79 | Confident | 109 Ų | 109 | 100.5 Ų | 100.5 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.6 | -36.6 | 177.4 | -69.2 | -59.1 | -63.4 | 0 | 0 | 112.7 | C57 S58 L64 M65 | C57-M61 WeakPolarHBondContact O-CB 3.42Å; C57-M61 VanDerWaalsContact O-CG 3.28Å; C57-M61 WeakPolarHBondContact O-CG 3.37Å; C57-M61 PolarHBondContact O-N 2.82Å; S58-M61 PolarHBondContact O-N 2.75Å; M61-L64 PolarHBondContact O-N 2.87Å; M61-L64 HydrophobicContact SD-CD1 4.15Å; M61-M65 WeakPolarHBondContact O-CG 3.27Å; M61-M65 PolarHBondContact O-N 2.85Å |
| 62 | I | 89.6 | Confident | 81.5 | Confident | 84 Ų | 84 | 100 Ų | 100 | 43% | 0.431 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -46.4 | 174.1 | -69.1 | 164.6 | 0 | 0 | 0 | 110.2 | S58 L59 L64 M65 L66 | S58-I62 VanDerWaalsContact O-CG1 3.28Å; S58-I62 WeakPolarHBondContact O-CG1 3.35Å; S58-I62 PolarHBondContact O-N 2.77Å; L59-I62 PolarHBondContact O-N 2.79Å; I62-L64 PolarHBondContact O-N 3.3Å; I62-M65 PolarHBondContact O-N 3.46Å; I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 WeakPolarHBondContact O-CG 3.48Å; I62-L66 PolarHBondContact O-N 2.87Å |
| 63 | V | 91.4 | Very high | 83.6 | Confident | 73 Ų | 73 | 96.2 Ų | 96.2 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -42.5 | 176.7 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | L59 V60 M65 L66 F67 | L59-V63 WeakPolarHBondContact O-CB 3.38Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.04Å; V60-V63 PolarHBondContact O-N 2.95Å; V63-M65 PolarHBondContact O-N 2.82Å; V63-L66 PolarHBondContact O-N 2.91Å; V63-F67 HydrophobicContact CG1-CD2 3.76Å; V63-F67 HydrophobicContact CG1-CE2 3.61Å; V63-F67 VanDerWaalsContact O-CD2 3.26Å; V63-F67 WeakPolarHBondContact O-CD2 3.42Å; V63-F67 PolarHBondContact O-N 3.16Å |
| 64 | L | 92.7 | Very high | 85.7 | Confident | 89 Ų | 89 | 91.4 Ų | 91.4 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 174.2 | -73.9 | 169.8 | 0 | 0 | 0 | 112.5 | V60 M61 I62 F67 L68 | V60-L64 HydrophobicContact CG1-CD1 4.16Å; V60-L64 WeakPolarHBondContact O-CG 3.34Å; V60-L64 PolarHBondContact O-N 2.95Å; M61-L64 PolarHBondContact O-N 2.87Å; M61-L64 HydrophobicContact SD-CD1 4.15Å; I62-L64 PolarHBondContact O-N 3.3Å; L64-F67 PolarHBondContact O-N 2.9Å; L64-L68 WeakPolarHBondContact O-CG 3.11Å; L64-L68 PolarHBondContact O-N 3.15Å |
| 65 | M | 92.6 | Very high | 87.2 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 56% | 0.562 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 175.1 | -75.1 | -66.2 | -158.5 | 0 | 0 | 112.4 | M61 I62 V63 L68 L69 | M61-M65 WeakPolarHBondContact O-CG 3.27Å; M61-M65 PolarHBondContact O-N 2.85Å; I62-M65 PolarHBondContact O-N 3.46Å; V63-M65 PolarHBondContact O-N 2.82Å; M65-L68 PolarHBondContact O-N 2.89Å; M65-L68 HydrophobicContact SD-CD1 4.26Å; M65-L69 WeakPolarHBondContact O-CG 3.22Å; M65-L69 PolarHBondContact O-N 2.79Å |
| 66 | L | 93.7 | Very high | 88.8 | Confident | 100 Ų | 100 | 90.9 Ų | 90.9 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175 | -69.4 | 165.9 | 0 | 0 | 0 | 111.6 | I62 V63 L69 V70 | I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 WeakPolarHBondContact O-CG 3.48Å; I62-L66 PolarHBondContact O-N 2.87Å; V63-L66 PolarHBondContact O-N 2.91Å; L66-L69 PolarHBondContact O-N 2.81Å; L66-V70 WeakPolarHBondContact O-CG2 3.15Å; L66-V70 PolarHBondContact O-N 3.34Å |
| 67 | F | 94.5 | Very high | 89.5 | Confident | 117 Ų | 117 | 93.3 Ų | 93.3 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 172.2 | -83.6 | -66.1 | 0 | 0 | 0 | 112.2 | V63 L64 L69 V70 F71 | V63-F67 HydrophobicContact CG1-CD2 3.76Å; V63-F67 HydrophobicContact CG1-CE2 3.61Å; V63-F67 VanDerWaalsContact O-CD2 3.26Å; V63-F67 WeakPolarHBondContact O-CD2 3.42Å; V63-F67 PolarHBondContact O-N 3.16Å; L64-F67 PolarHBondContact O-N 2.9Å; F67-L69 VanDerWaalsContact C-N 3.32Å; F67-L69 PolarHBondContact O-N 2.79Å; F67-V70 PolarHBondContact O-N 3.49Å; F67-F71 HydrophobicContact CB-CD2 4.36Å; F67-F71 HydrophobicContact CB-CE2 4.26Å; F67-F71 HydrophobicContact CD1-CE2 4.15Å; F67-F71 WeakPolarHBondContact O-CD2 3.2Å; F67-F71 PolarHBondContact O-N 2.56Å |
| 68 | L | 95.3 | Very high | 90.4 | Very high | 114 Ų | 114 | 90.4 Ų | 90.4 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | 176.5 | -73 | 170.9 | 0 | 0 | 0 | 112.3 | L64 M65 F71 A72 | L64-L68 WeakPolarHBondContact O-CG 3.11Å; L64-L68 PolarHBondContact O-N 3.15Å; M65-L68 PolarHBondContact O-N 2.89Å; M65-L68 HydrophobicContact SD-CD1 4.26Å; L68-F71 PolarHBondContact O-N 3.31Å; L68-A72 VanDerWaalsContact O-CB 3.25Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 3.27Å |
| 69 | L | 94.1 | Very high | 91.2 | Very high | 120 Ų | 120 | 93.1 Ų | 93.1 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -42 | 174.5 | -72.3 | 169.6 | 0 | 0 | 0 | 112.2 | M65 L66 F67 A72 A73 | M65-L69 WeakPolarHBondContact O-CG 3.22Å; M65-L69 PolarHBondContact O-N 2.79Å; L66-L69 PolarHBondContact O-N 2.81Å; F67-L69 VanDerWaalsContact C-N 3.32Å; F67-L69 PolarHBondContact O-N 2.79Å; L69-A72 PolarHBondContact O-N 3.03Å; L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.49Å |
| 70 | V | 94.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 93 Ų | 93 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L66 F67 A72 A73 L74 | L66-V70 WeakPolarHBondContact O-CG2 3.15Å; L66-V70 PolarHBondContact O-N 3.34Å; F67-V70 PolarHBondContact O-N 3.49Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.32Å; V70-A73 PolarHBondContact O-N 2.82Å; V70-L74 HydrophobicContact CG1-CD1 3.79Å; V70-L74 HydrophobicContact CG1-CG 4.37Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 2.8Å |
| 71 | F | 93.6 | Very high | 91.4 | Very high | 135 Ų | 135 | 94.3 Ų | 94.3 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.1 | -32.3 | 177.1 | -72.3 | -59.9 | 0 | 0 | 0 | 113 | F67 L68 G75 | F67-F71 HydrophobicContact CB-CD2 4.36Å; F67-F71 HydrophobicContact CB-CE2 4.26Å; F67-F71 HydrophobicContact CD1-CE2 4.15Å; F67-F71 WeakPolarHBondContact O-CD2 3.2Å; F67-F71 PolarHBondContact O-N 2.56Å; L68-F71 PolarHBondContact O-N 3.31Å; F71-G75 PolarHBondContact O-N 2.81Å |
| 72 | A | 93.6 | Very high | 91.3 | Very high | 63 Ų | 63 | 94.5 Ų | 94.5 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L68 L69 V70 F76 | L68-A72 VanDerWaalsContact O-CB 3.25Å; L68-A72 WeakPolarHBondContact O-CB 3.32Å; L68-A72 PolarHBondContact O-N 3.27Å; L69-A72 PolarHBondContact O-N 3.03Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.32Å; A72-F76 VanDerWaalsContact O-CB 3.3Å; A72-F76 WeakPolarHBondContact O-CB 3.36Å; A72-F76 PolarHBondContact O-N 3.22Å |
| 73 | A | 92.4 | Very high | 91.1 | Very high | 49 Ų | 49 | 96.2 Ų | 96.2 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -52.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L69 V70 G75 F76 E77 | L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.49Å; V70-A73 PolarHBondContact O-N 2.82Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 3.31Å; A73-F76 PolarHBondContact O-N 2.99Å; A73-F76 VanDerWaalsContact O-N 3.13Å; A73-E77 WeakPolarHBondContact O-CG 3.24Å; A73-E77 PolarHBondContact O-N 2.78Å |
| 74 | L | 93.5 | Very high | 90.5 | Very high | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 177.5 | -67.7 | 172.3 | 0 | 0 | 0 | 112.3 | V70 A78 | V70-L74 HydrophobicContact CG1-CD1 3.79Å; V70-L74 HydrophobicContact CG1-CG 4.37Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 WeakPolarHBondContact O-CG 3.46Å; V70-L74 PolarHBondContact O-N 2.8Å; L74-A78 VanDerWaalsContact O-CB 3.23Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.78Å |
| 75 | G | 92.1 | Very high | 89.9 | Confident | 38 Ų | 38 | 98.4 Ų | 98.4 | 39% | 0.392 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | F71 A73 W79 | F71-G75 PolarHBondContact O-N 2.81Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 3.31Å; G75-W79 VanDerWaalsContact O-CB 3.28Å; G75-W79 WeakPolarHBondContact O-CB 3.33Å; G75-W79 PolarHBondContact O-N 3.04Å |
| 76 | F | 91.8 | Very high | 89.3 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 53% | 0.531 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 174.8 | -177.2 | -93.1 | 0 | 0 | 0 | 111.9 | A72 A73 W79 Q80 | A72-F76 VanDerWaalsContact O-CB 3.3Å; A72-F76 WeakPolarHBondContact O-CB 3.36Å; A72-F76 PolarHBondContact O-N 3.22Å; A73-F76 PolarHBondContact O-N 2.99Å; A73-F76 VanDerWaalsContact O-N 3.13Å; F76-W79 HydrophobicContact CE2-CE3 4.39Å; F76-W79 HydrophobicContact CE2-CZ3 4.31Å; F76-W79 PolarHBondContact O-N 3Å; F76-Q80 WeakPolarHBondContact O-CB 3.03Å; F76-Q80 PolarHBondContact O-N 2.89Å |
| 77 | E | 84.4 | Confident | 88.4 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.4 | -72.6 | 176.7 | 177.6 | 0 | 0 | 111.5 | A73 W79 Q80 I81 | A73-E77 WeakPolarHBondContact O-CG 3.24Å; A73-E77 PolarHBondContact O-N 2.78Å; E77-W79 VanDerWaalsContact C-N 3.35Å; E77-W79 PolarHBondContact O-N 3.15Å; E77-Q80 PolarHBondContact O-N 2.54Å; E77-I81 VanDerWaalsContact O-CG1 3.28Å; E77-I81 WeakPolarHBondContact O-CG1 3.32Å; E77-I81 PolarHBondContact O-N 3.15Å |
| 78 | A | 90.5 | Very high | 87.2 | Confident | 47 Ų | 47 | 98.5 Ų | 98.5 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L74 I81 L82 | L74-A78 VanDerWaalsContact O-CB 3.23Å; L74-A78 WeakPolarHBondContact O-CB 3.46Å; L74-A78 PolarHBondContact O-N 2.78Å; A78-I81 PolarHBondContact O-N 2.96Å; A78-L82 WeakPolarHBondContact O-CB 3.38Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 2.77Å |
| 79 | W | 91.4 | Very high | 86.1 | Confident | 133 Ų | 133 | 100.7 Ų | 100.7 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.2 | 178.6 | 79.7 | 0 | 0 | 0 | 112.3 | G75 F76 E77 L82 R83 | G75-W79 VanDerWaalsContact O-CB 3.28Å; G75-W79 WeakPolarHBondContact O-CB 3.33Å; G75-W79 PolarHBondContact O-N 3.04Å; F76-W79 HydrophobicContact CE2-CE3 4.39Å; F76-W79 HydrophobicContact CE2-CZ3 4.31Å; F76-W79 PolarHBondContact O-N 3Å; E77-W79 VanDerWaalsContact C-N 3.35Å; E77-W79 PolarHBondContact O-N 3.15Å; W79-L82 PolarHBondContact O-N 2.86Å; W79-R83 VanDerWaalsContact CH2-NH1 3.31Å; W79-R83 WeakPolarHBondContact O-CB 3.35Å; W79-R83 PolarHBondContact O-N 3.34Å |
| 80 | Q | 85.2 | Confident | 84.9 | Confident | 97 Ų | 97 | 100.9 Ų | 100.9 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 175.4 | -179.7 | 171.9 | -32.7 | 0 | 0 | 111.4 | F76 E77 R83 L84 | F76-Q80 WeakPolarHBondContact O-CB 3.03Å; F76-Q80 PolarHBondContact O-N 2.89Å; E77-Q80 PolarHBondContact O-N 2.54Å; Q80-R83 PolarHBondContact O-N 2.66Å; Q80-L84 HydrophobicContact CG-CD1 4.15Å; Q80-L84 WeakPolarHBondContact O-CB 3.46Å; Q80-L84 WeakPolarHBondContact O-CD1 3.5Å; Q80-L84 VanDerWaalsContact O-CG 3.24Å; Q80-L84 WeakPolarHBondContact O-CG 3.23Å; Q80-L84 PolarHBondContact O-N 3.04Å |
| 81 | I | 86.3 | Confident | 83.2 | Confident | 97 Ų | 97 | 106.8 Ų | 106.8 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 174.9 | -68.9 | 163.6 | 0 | 0 | 0 | 110.8 | E77 A78 R83 L84 Q85 | E77-I81 VanDerWaalsContact O-CG1 3.28Å; E77-I81 WeakPolarHBondContact O-CG1 3.32Å; E77-I81 PolarHBondContact O-N 3.15Å; A78-I81 PolarHBondContact O-N 2.96Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 3.49Å; I81-L84 WeakPolarHBondContact O-CB 3.23Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-L84 VanDerWaalsContact O-N 3.15Å; I81-Q85 PolarHBondContact O-N 2.91Å |
| 82 | L | 84.6 | Confident | 81.5 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 176.8 | -73.2 | 170 | 0 | 0 | 0 | 111.7 | A78 W79 L84 Q85 E86 | A78-L82 WeakPolarHBondContact O-CB 3.38Å; A78-L82 VanDerWaalsContact O-CG 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 2.77Å; W79-L82 PolarHBondContact O-N 2.86Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 PolarHBondContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 2.68Å; L82-E86 WeakPolarHBondContact O-CB 3.4Å; L82-E86 PolarHBondContact O-N 2.74Å |
| 83 | R | 85.6 | Confident | 79.1 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.5 | -23.7 | 176.9 | -166.7 | 177.5 | -174.7 | -153 | 3.2 | 113.1 | W79 Q80 I81 K87 | W79-R83 VanDerWaalsContact CH2-NH1 3.31Å; W79-R83 WeakPolarHBondContact O-CB 3.35Å; W79-R83 PolarHBondContact O-N 3.34Å; Q80-R83 PolarHBondContact O-N 2.66Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 3.49Å; R83-K87 WeakPolarHBondContact O-CB 3.09Å; R83-K87 WeakPolarHBondContact O-CD 3.38Å; R83-K87 VanDerWaalsContact O-CG 3.26Å; R83-K87 WeakPolarHBondContact O-CG 3.33Å; R83-K87 PolarHBondContact O-N 2.99Å |
| 84 | L | 78.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 113 Ų | 113 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.5 | -44 | 168.7 | -76.8 | 164.9 | 0 | 0 | 0 | 110.9 | Q80 I81 L82 E86 K87 L88 | Q80-L84 HydrophobicContact CG-CD1 4.15Å; Q80-L84 WeakPolarHBondContact O-CB 3.46Å; Q80-L84 WeakPolarHBondContact O-CD1 3.5Å; Q80-L84 VanDerWaalsContact O-CG 3.24Å; Q80-L84 WeakPolarHBondContact O-CG 3.23Å; Q80-L84 PolarHBondContact O-N 3.04Å; I81-L84 WeakPolarHBondContact O-CB 3.23Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-L84 VanDerWaalsContact O-N 3.15Å; L82-L84 VanDerWaalsContact C-N 3.28Å; L82-L84 PolarHBondContact O-N 3.12Å; L84-E86 PolarHBondContact O-N 3.37Å; L84-K87 CarbonylContact O-C 3.56Å; L84-K87 PolarHBondContact O-N 2.93Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 2.76Å |
| 85 | Q | 78.6 | Confident | 73.9 | Confident | 118 Ų | 118 | 115 Ų | 115 | 55% | 0.551 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.9 | -36.8 | 175.7 | -75.2 | -170.1 | -22.3 | 0 | 0 | 112.7 | I81 L82 L88 K89 | I81-Q85 PolarHBondContact O-N 2.91Å; L82-Q85 PolarHBondContact O-N 2.68Å; Q85-L88 PolarHBondContact O-N 2.87Å; Q85-K89 WeakPolarHBondContact O-CB 3.22Å; Q85-K89 PolarHBondContact O-N 3.1Å |
| 86 | E | 80.4 | Confident | 71.9 | Confident | 119 Ų | 119 | 118.1 Ų | 118.1 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -44.4 | 172.1 | -175.7 | 178.1 | -138.2 | 0 | 0 | 111.4 | L82 L84 L88 K89 N90 | L82-E86 WeakPolarHBondContact O-CB 3.4Å; L82-E86 PolarHBondContact O-N 2.74Å; L84-E86 PolarHBondContact O-N 3.37Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-N90 WeakPolarHBondContact O-CB 3.23Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.93Å; E86-N90 PolarHBondContact O-OD1 3.08Å |
| 87 | K | 75.8 | Confident | 69.2 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 50% | 0.5 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.6 | -22.2 | 174 | -76.8 | 175.7 | 178.4 | -177 | 0 | 114.3 | R83 L84 R91 | R83-K87 WeakPolarHBondContact O-CB 3.09Å; R83-K87 WeakPolarHBondContact O-CD 3.38Å; R83-K87 VanDerWaalsContact O-CG 3.26Å; R83-K87 WeakPolarHBondContact O-CG 3.33Å; R83-K87 PolarHBondContact O-N 2.99Å; L84-K87 CarbonylContact O-C 3.56Å; L84-K87 PolarHBondContact O-N 2.93Å; K87-R91 VanDerWaalsContact O-CD 3.28Å; K87-R91 WeakPolarHBondContact O-CD 3.46Å; K87-R91 VanDerWaalsContact O-CG 3.26Å; K87-R91 WeakPolarHBondContact O-CG 3.35Å |
| 88 | L | 68.8 | Low | 66.9 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -84.6 | -47.4 | 172.9 | -72.9 | 168.1 | 0 | 0 | 0 | 110.6 | L84 Q85 E86 N90 R91 V92 | L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 2.76Å; Q85-L88 PolarHBondContact O-N 2.87Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; L88-N90 VanDerWaalsContact C-N 3.26Å; L88-N90 PolarHBondContact O-N 3.46Å; L88-R91 CarbonylContact O-C 3.49Å; L88-R91 WeakPolarHBondContact O-CA 3.25Å; L88-R91 WeakPolarHBondContact O-CB 3.24Å; L88-R91 PolarHBondContact O-N 2.83Å; L88-V92 HydrophobicContact CB-CG2 4.49Å; L88-V92 WeakPolarHBondContact O-CB 3.48Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.41Å |
| 89 | K | 73.1 | Confident | 64.6 | Low | 160 Ų | 160 | 125 Ų | 125 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.1 | -42.2 | 176.3 | -171.1 | 179.4 | 179.5 | -175.3 | 0 | 111.5 | Q85 E86 R91 | Q85-K89 WeakPolarHBondContact O-CB 3.22Å; Q85-K89 PolarHBondContact O-N 3.1Å; E86-K89 PolarHBondContact O-N 2.86Å; K89-R91 PolarHBondContact O-N 2.96Å; K89-R91 VanDerWaalsContact O-N 3.08Å |
| 90 | N | 68.3 | Low | 62.1 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 66% | 0.663 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.8 | 14 | 175.6 | -58.8 | -6.1 | 0 | 0 | 0 | 113.8 | E86 L88 | E86-N90 WeakPolarHBondContact O-CB 3.23Å; E86-N90 PolarHBondContact O-N 3.28Å; E86-N90 PolarHBondContact O-ND2 2.93Å; E86-N90 PolarHBondContact O-OD1 3.08Å; L88-N90 VanDerWaalsContact C-N 3.26Å; L88-N90 PolarHBondContact O-N 3.46Å |
| 91 | R | 59.6 | Low | 60.1 | Low | 202 Ų | 202 | 127.1 Ų | 127.1 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -137.1 | -18.8 | 176.2 | -73.7 | -178.3 | -174.2 | -96.1 | 3.7 | 114.6 | K87 L88 K89 | K87-R91 VanDerWaalsContact O-CD 3.28Å; K87-R91 WeakPolarHBondContact O-CD 3.46Å; K87-R91 VanDerWaalsContact O-CG 3.26Å; K87-R91 WeakPolarHBondContact O-CG 3.35Å; L88-R91 CarbonylContact O-C 3.49Å; L88-R91 WeakPolarHBondContact O-CA 3.25Å; L88-R91 WeakPolarHBondContact O-CB 3.24Å; L88-R91 PolarHBondContact O-N 2.83Å; K89-R91 PolarHBondContact O-N 2.96Å; K89-R91 VanDerWaalsContact O-N 3.08Å |
| 92 | V | 56.8 | Low | 57.8 | Low | 81 Ų | 81 | 125.7 Ų | 125.7 | 49% | 0.491 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -90.2 | -10.3 | -171.4 | 163.5 | 0 | 0 | 0 | 0 | 112.5 | L88 P94 | L88-V92 HydrophobicContact CB-CG2 4.49Å; L88-V92 WeakPolarHBondContact O-CB 3.48Å; L88-V92 WeakPolarHBondContact O-CG2 3.3Å; L88-V92 PolarHBondContact O-N 3.41Å; V92-P94 CarbonylContact O-C 3.6Å |
| 93 | E | 44.3 | Very low | 55.7 | Low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -101.1 | 103.9 | 168.8 | -160 | 162.2 | -173.6 | 0 | 0 | 107.6 | ||
| 94 | P | 40 | Very low | 53.7 | Low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | S | Bend | cis | -105.1 | 158.7 | 11.5 | 39.6 | -33.4 | 0 | 0 | 0 | 117.1 | V92 | V92-P94 CarbonylContact O-C 3.6Š|
| 95 | D | 36.9 | Very low | 52.1 | Low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | -76.4 | 172.9 | 175 | -94.9 | -45.1 | 0 | 0 | 0 | 115.1 | ||||
| 96 | P | 50.2 | Low | 50.5 | Low | 104 Ų | 104 | 138.6 Ų | 138.6 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | cis | -136.3 | 165.2 | -25.9 | 36.1 | -20.2 | 0 | 0 | 0 | 114.4 | ||||
| 97 | V | 33.8 | Very low | 48.5 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | -175.3 | 134.9 | 127.6 | 144.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 98 | T | 36.9 | Very low | 46.6 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -98.5 | 120 | -169.2 | -57.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 99 | E | 41.7 | Very low | 45 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | 54.6 | 161.9 | 144.8 | -62.7 | -175.2 | 175.7 | 0 | 0 | 120 | ||||
| 100 | S | 39.9 | Very low | 43.1 | Very low | 100 Ų | 100 | 143 Ų | 143 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -146.5 | 179 | 17.6 | -152.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 101 | H | 42.3 | Very low | 41.8 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | trans | -76 | 165.2 | -176.3 | -47.5 | -89.5 | 0 | 0 | 0 | 112.1 | ||||
| 102 | G | 37.9 | Very low | 41.4 | Very low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -170.8 | -146.3 | 4.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | P | 41.2 | Very low | 40.6 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | cis | -109.9 | -171.5 | -1.6 | 41.7 | -32 | 0 | 0 | 0 | 112.7 | ||||
| 104 | Q | 43.3 | Very low | 40.6 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -108.4 | 160.5 | -167.7 | -158.9 | -175.6 | 15.5 | 0 | 0 | 113.8 | ||||
| 105 | K | 45.4 | Very low | 40.5 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | 94.1 | 82.5 | 143 | -160.2 | -174.1 | -175.5 | -179.9 | 0 | 119.1 | ||||
| 106 | Q | 44.2 | Very low | 40.8 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -154.1 | 108.6 | 132 | -157.7 | 167.5 | -23.4 | 0 | 0 | 112.3 | ||||
| 107 | I | 38.7 | Very low | 40.2 | Very low | 172 Ų | 172 | 141 Ų | 141 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -169.5 | 156.2 | 157.9 | -102 | 155 | 0 | 0 | 0 | 107.1 | ||||
| 108 | G | 35.4 | Very low | 40.8 | Very low | 65 Ų | 65 | 142.2 Ų | 142.2 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | -75.1 | 175.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y110 | G108-Y110 PolarHBondContact O-N 3.34Š| ||
| 109 | L | 36.4 | Very low | 41.2 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -48.6 | 125.7 | 177.2 | -175.1 | 70.5 | 0 | 0 | 0 | 112.8 | N111 | L109-N111 WeakPolarHBondContact CD1-OD1 3.2Å; L109-N111 WeakPolarHBondContact CG-OD1 3.41Å | ||
| 110 | Y | 32.9 | Very low | 41.1 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -118.4 | 109.9 | 167.8 | 179.7 | -101.7 | 0 | 0 | 0 | 108.8 | G108 P112 | G108-Y110 PolarHBondContact O-N 3.34Å; Y110-P112 HydrophobicContact CE1-CB 3.95Å; Y110-P112 HydrophobicContact CE1-CG 4.34Å; Y110-P112 WeakPolarHBondContact O-CD 3.43Å | ||
| 111 | N | 39.7 | Very low | 41.5 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 58% | 0.583 | 78% | 0.784 | S | S | * | * | trans | -97.9 | 115.9 | 173.1 | -70 | -2.4 | 0 | 0 | 0 | 108.5 | L109 D113 | L109-N111 WeakPolarHBondContact CD1-OD1 3.2Å; L109-N111 WeakPolarHBondContact CG-OD1 3.41Å; N111-D113 PolarHBondContact O-N 3.49Å | ||
| 112 | P | 51.8 | Low | 41.8 | Very low | 90 Ų | 90 | 146.6 Ų | 146.6 | 58% | 0.584 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 95 | 169 | 32.9 | -28.9 | 0 | 0 | 0 | 110 | Y110 S114 | Y110-P112 HydrophobicContact CE1-CB 3.95Å; Y110-P112 HydrophobicContact CE1-CG 4.34Å; Y110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-S114 PolarHBondContact O-N 3.35Å | ||
| 113 | D | 39.4 | Very low | 41.9 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -64.1 | 118.5 | 156.8 | -61 | -43.6 | 0 | 0 | 0 | 106.2 | N111 | N111-D113 PolarHBondContact O-N 3.49Š| ||
| 114 | S | 45.7 | Very low | 41.9 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | 124.3 | -19.9 | 34.7 | 168.2 | 0 | 0 | 0 | 0 | 108.8 | P112 | P112-S114 PolarHBondContact O-N 3.35Š| ||
| 115 | N | 36.8 | Very low | 42.2 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -113.1 | 104.2 | -173 | -60.9 | 21.3 | 0 | 0 | 0 | 109.6 | ||||
| 116 | G | 42.6 | Very low | 42.4 | Very low | 81 Ų | 81 | 145 Ų | 145 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -85.9 | 135.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 117 | E | 37.5 | Very low | 42.7 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -137.8 | 103.5 | 159.1 | -130.7 | 177.7 | -169.5 | 0 | 0 | 109.6 | K119 | E117-K119 PolarHBondContact O-N 3.19Š| ||
| 118 | E | 47.9 | Very low | 44.1 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -81.8 | 101.9 | -176.6 | 175.4 | -166.2 | -142.2 | 0 | 0 | 110.5 | ||||
| 119 | K | 43.7 | Very low | 46.5 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | trans | -176.1 | 152.2 | 151.3 | -97.8 | 130.4 | -144.2 | 148 | 0 | 113.1 | E117 | E117-K119 PolarHBondContact O-N 3.19Š| ||
| 120 | T | 39.5 | Very low | 49.2 | Very low | 91 Ų | 91 | 146 Ų | 146 | 56% | 0.558 | 73% | 0.732 | S | S | * | * | trans | 78.6 | 62.5 | 174.5 | -29.6 | 0 | 0 | 0 | 0 | 115.6 | E122 K123 T124 | T120-E122 PolarHBondContact O-N 2.91Å; T120-K123 HydrophobicContact CG2-CB 4.01Å; T120-K123 HydrophobicContact CG2-CG 4.48Å; T120-T124 PolarHBondContact O-OG1 3.47Å | ||
| 121 | E | 50.4 | Low | 52.3 | Low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -64.2 | -39.8 | 178.7 | -61.2 | -177.4 | 123.3 | 0 | 0 | 112.5 | K123 T124 | E121-K123 PolarHBondContact O-N 3.45Å; E121-K123 VanDerWaalsContact O-N 3.12Å; E121-T124 PolarHBondContact O-N 3.29Å; E121-T124 VanDerWaalsContact O-N 3.07Å |
| 122 | E | 47.6 | Very low | 55.1 | Low | 197 Ų | 197 | 133.2 Ų | 133.2 | 92% | 0.921 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -68.6 | -12.3 | -175.1 | -153.9 | 178.9 | -149.6 | 0 | 0 | 115.1 | T120 | T120-E122 PolarHBondContact O-N 2.91Š|
| 123 | K | 39.6 | Very low | 57.3 | Low | 171 Ų | 171 | 129 Ų | 129 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -111.6 | 1.6 | 172.9 | -77.4 | -175.1 | 172.4 | 176.7 | 0 | 114.2 | T120 E121 | T120-K123 HydrophobicContact CG2-CB 4.01Å; T120-K123 HydrophobicContact CG2-CG 4.48Å; E121-K123 PolarHBondContact O-N 3.45Å; E121-K123 VanDerWaalsContact O-N 3.12Å |
| 124 | T | 41.4 | Very low | 60.1 | Low | 68 Ų | 68 | 123.4 Ų | 123.4 | 42% | 0.417 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | -28.2 | -174.5 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | T120 E121 E126 K127 | T120-T124 PolarHBondContact O-OG1 3.47Å; E121-T124 PolarHBondContact O-N 3.29Å; E121-T124 VanDerWaalsContact O-N 3.07Å; T124-E126 PolarHBondContact O-N 2.82Å; T124-E126 VanDerWaalsContact O-N 3.12Å; T124-K127 CarbonylContact O-C 3.59Å; T124-K127 WeakPolarHBondContact O-CA 3.42Å; T124-K127 WeakPolarHBondContact O-CB 3.45Å; T124-K127 PolarHBondContact O-N 2.94Å; T124-K127 VanDerWaalsContact O-O 3.06Å |
| 125 | E | 48.9 | Very low | 62.5 | Low | 133 Ų | 133 | 118 Ų | 118 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -23.2 | 178.2 | -85 | -137 | 178.8 | 0 | 0 | 116.4 | K127 K129 | E125-K127 PolarHBondContact O-N 2.8Å; E125-K129 WeakPolarHBondContact O-CE 2.98Å; E125-K129 IonicContact OE2-NZ 2.75Å; E125-K129 PolarHBondContact OE2-NZ 2.99Å |
| 126 | E | 50.3 | Low | 65.3 | Low | 180 Ų | 180 | 111 Ų | 111 | 84% | 0.841 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.6 | 175.7 | -160.9 | 173.6 | -175.7 | 0 | 0 | 111.4 | T124 | T124-E126 PolarHBondContact O-N 2.82Å; T124-E126 VanDerWaalsContact O-N 3.12Å |
| 127 | K | 51 | Low | 67.5 | Low | 157 Ų | 157 | 108 Ų | 108 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 102.1 | 166.2 | -56.8 | 173.2 | -176.2 | 171.8 | 0 | 108.6 | T124 E125 | T124-K127 CarbonylContact O-C 3.59Å; T124-K127 WeakPolarHBondContact O-CA 3.42Å; T124-K127 WeakPolarHBondContact O-CB 3.45Å; T124-K127 PolarHBondContact O-N 2.94Å; T124-K127 VanDerWaalsContact O-O 3.06Å; E125-K127 PolarHBondContact O-N 2.8Å |
| 128 | T | 66.8 | Low | 69.7 | Low | 125 Ų | 125 | 102.7 Ų | 102.7 | 77% | 0.767 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -155.7 | 74.9 | 17.3 | 40.8 | 0 | 0 | 0 | 0 | 109.7 | R130 | T128-R130 PolarHBondContact O-N 3.26Å; T128-R130 VanDerWaalsContact O-N 3.15Å |
| 129 | K | 87.4 | Confident | 70.5 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 49% | 0.491 | 47% | 0.472 | S | S | . | . | trans | -59.2 | 121.8 | -179.3 | -69.1 | 177 | -176.9 | 172.2 | 0 | 109.6 | E125 G161 | E125-K129 WeakPolarHBondContact O-CE 2.98Å; E125-K129 IonicContact OE2-NZ 2.75Å; E125-K129 PolarHBondContact OE2-NZ 2.99Å; K129-G161 WeakPolarHBondContact O-CA 3.29Å | ||
| 130 | R | 93 | Very high | 71.6 | Confident | 213 Ų | 213 | 95.3 Ų | 95.3 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | trans | -62.5 | 137.1 | -171.8 | -73.7 | -173.3 | 178.7 | -176.5 | -0.9 | 110.8 | T128 A132 S160 | T128-R130 PolarHBondContact O-N 3.26Å; T128-R130 VanDerWaalsContact O-N 3.15Å; R130-A132 PolarHBondContact O-N 3.3Å; R130-S160 CarbonylContact O-C 3.56Å | ||
| 131 | P | 97.1 | Very high | 72.6 | Confident | 18 Ų | 18 | 96.6 Ų | 96.6 | 12% | 0.117 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -65.2 | 105.4 | -180 | -19.9 | 32.8 | 0 | 0 | 0 | 111 | S162 V163 E176 Y180 Y273 K274 | P131-S162 WeakPolarHBondContact CB-OG 3.37Å; P131-S162 VanDerWaalsContact CG-OG 3.23Å; P131-S162 WeakPolarHBondContact CG-OG 3.46Å; P131-V163 HydrophobicContact CB-CG2 3.82Å; P131-E176 HydrophobicContact CG-CG 4.49Å; P131-E176 WeakPolarHBondContact CG-OE2 3.34Å; P131-Y180 HydrophobicContact CB-CE1 4.14Å; P131-Y273 CarbonylContact O-C 3.5Å; P131-Y273 WeakPolarHBondContact O-CA 3.28Å; P131-K274 HydrophobicContact CB-CB 4.01Å; P131-K274 HydrophobicContact CG-CB 4.16Å; P131-K274 HydrophobicContact CG-CD 4.23Å; P131-K274 PolarHBondContact O-N 3.13Å |
| 132 | A | 98.1 | Very high | 73.4 | Confident | 16 Ų | 16 | 92.6 Ų | 92.6 | 13% | 0.132 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 149.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | R130 F158 S160 L272 | R130-A132 PolarHBondContact O-N 3.3Å; A132-F158 HydrophobicContact CB-CE2 3.94Å; A132-F158 HydrophobicContact CB-CZ 4.46Å; A132-S160 PolarHBondContact N-O 3.27Å; A132-S160 PolarHBondContact O-N 3.23Å; A132-L272 CarbonylContact C-O 3.54Å; A132-L272 VanDerWaalsContact CA-O 3.29Å; A132-L272 WeakPolarHBondContact CA-O 3.33Å |
| 133 | A | 98.4 | Very high | 74.1 | Confident | 1 Ų | 1 | 87.2 Ų | 87.2 | 1% | 0.008 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 149.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F158 T159 V163 L172 G271 L272 | A133-F158 VanDerWaalsContact CA-O 3.24Å; A133-F158 WeakPolarHBondContact CA-O 3.32Å; A133-F158 WeakPolarHBondContact CB-O 3.41Å; A133-T159 HydrophobicContact CB-CG2 4.04Å; A133-V163 HydrophobicContact CB-CB 4.41Å; A133-V163 HydrophobicContact CB-CG1 3.69Å; A133-L172 HydrophobicContact CB-CD1 4Å; A133-L172 HydrophobicContact CB-CD2 3.65Å; A133-L172 HydrophobicContact CB-CG 4.49Å; A133-G271 CarbonylContact O-C 3.33Å; A133-G271 WeakPolarHBondContact O-CA 3.2Å; A133-L272 PolarHBondContact N-O 3.26Å; A133-L272 PolarHBondContact O-N 2.9Å |
| 134 | H | 97.9 | Very high | 75.2 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 125.1 | 168.1 | -176.4 | 84.3 | 0 | 0 | 0 | 107 | L136 A157 F158 Y183 F269 | H134-L136 WeakPolarHBondContact NE2-CD2 3.48Å; H134-A157 CarbonylContact O-C 3.55Å; H134-A157 WeakPolarHBondContact O-CA 3.34Å; H134-F158 HydrophobicContact CB-CD1 3.9Å; H134-F158 HydrophobicContact CB-CE1 3.55Å; H134-F158 HydrophobicContact CB-CZ 4.15Å; H134-F158 PolarHBondContact N-O 3.36Å; H134-F158 PolarHBondContact O-N 3.22Å; H134-F158 VanDerWaalsContact O-O 3.12Å; H134-Y183 AromaticContact ND1-CE2 3.75Å; H134-Y183 AromaticContact ND1-CZ 3.77Å; H134-Y183 PolarHBondContact ND1-OH 3.28Å; H134-F269 AromaticContact CE1-CD2 3.84Å; H134-F269 AromaticContact CE1-CG 3.74Å |
| 135 | V | 96.8 | Very high | 77.1 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.5 | -176.3 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | W150 E151 P152 Y165 L172 F269 F270 | V135-W150 HydrophobicContact CB-CB 3.67Å; V135-W150 HydrophobicContact CB-CG 4.32Å; V135-W150 HydrophobicContact CG2-CB 3.39Å; V135-W150 HydrophobicContact CG2-CD2 4.01Å; V135-W150 HydrophobicContact CG2-CE3 4.48Å; V135-W150 HydrophobicContact CG2-CG 3.5Å; V135-E151 WeakPolarHBondContact CA-O 3.22Å; V135-P152 HydrophobicContact CG1-CB 4.19Å; V135-Y165 HydrophobicContact CG1-CD2 4.48Å; V135-L172 HydrophobicContact CG1-CD2 4.04Å; V135-L172 HydrophobicContact CG2-CD1 4.42Å; V135-F269 WeakPolarHBondContact O-CA 3.33Å; V135-F270 HydrophobicContact CG2-CB 3.98Å; V135-F270 HydrophobicContact CG2-CD1 3.89Å; V135-F270 HydrophobicContact CG2-CG 4.3Å; V135-F270 VanDerWaalsContact CG2-O 3.32Å; V135-F270 WeakPolarHBondContact CG2-O 3.4Å; V135-F270 PolarHBondContact N-O 2.94Å; V135-F270 PolarHBondContact O-N 2.9Å |
| 136 | L | 95.1 | Very high | 78.9 | Confident | 10 Ų | 10 | 83.3 Ų | 83.3 | 5% | 0.052 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 158.3 | -169.3 | -66.3 | 175 | 0 | 0 | 0 | 111.5 | H134 R138 W150 E151 A157 Y266 F269 | H134-L136 WeakPolarHBondContact NE2-CD2 3.48Å; L136-R138 PolarHBondContact O-N 3.41Å; L136-W150 CarbonylContact O-C 3.55Å; L136-W150 WeakPolarHBondContact O-CA 3.4Å; L136-E151 PolarHBondContact N-O 2.77Å; L136-E151 PolarHBondContact O-N 3.26Å; L136-A157 HydrophobicContact CD1-CB 4.25Å; L136-A157 HydrophobicContact CG-CB 4.11Å; L136-Y266 HydrophobicContact CD1-CD1 4.49Å; L136-Y266 HydrophobicContact CD1-CE1 4.28Å; L136-Y266 HydrophobicContact CD2-CD1 4.37Å; L136-F269 HydrophobicContact CD2-CB 4.18Å |
| 137 | G | 89.8 | Confident | 81 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 19% | 0.186 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 124.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | N268 | G137-N268 PolarHBondContact N-O 3.14Å |
| 138 | R | 83.9 | Confident | 83 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 134 | 177.1 | -167.4 | 177.1 | 175.2 | 178.6 | -3.6 | 110.2 | L136 E140 | L136-R138 PolarHBondContact O-N 3.41Å; R138-E140 HydrophobicContact CG-CB 4.2Å; R138-E140 IonicContact CZ-OE1 3.89Å; R138-E140 IonicContact CZ-OE2 2.77Å; R138-E140 VanDerWaalsContact NE-CD 3.3Å; R138-E140 IonicContact NE-OE1 2.74Å; R138-E140 PolarHBondContact NE-OE1 2.89Å; R138-E140 IonicContact NE-OE2 3.49Å; R138-E140 IonicContact NH2-OE1 2.66Å; R138-E140 PolarHBondContact NH2-OE1 3.2Å; R138-E140 IonicContact NH2-OE2 2.79Å; R138-E140 PolarHBondContact NH2-OE2 2.98Å; R138-E140 PolarHBondContact O-N 2.77Å |
| 139 | T | 64.9 | Low | 84.2 | Confident | 80 Ų | 80 | 66.1 Ų | 66.1 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -72.2 | -7.4 | -178.7 | -30.3 | 0 | 0 | 0 | 0 | 114 | H263 | T139-H263 HydrophobicContact CG2-CB 4.49Å; T139-H263 VanDerWaalsContact CG2-ND1 3.34Å; T139-H263 WeakPolarHBondContact CG2-ND1 3.34Å |
| 140 | E | 66.1 | Low | 84.5 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | trans | -86.6 | 114.1 | 179.6 | -75.9 | 167.8 | -105.2 | 0 | 0 | 111.7 | R138 | R138-E140 HydrophobicContact CG-CB 4.2Å; R138-E140 IonicContact CZ-OE1 3.89Å; R138-E140 IonicContact CZ-OE2 2.77Å; R138-E140 VanDerWaalsContact NE-CD 3.3Å; R138-E140 IonicContact NE-OE1 2.74Å; R138-E140 PolarHBondContact NE-OE1 2.89Å; R138-E140 IonicContact NE-OE2 3.49Å; R138-E140 IonicContact NH2-OE1 2.66Å; R138-E140 PolarHBondContact NH2-OE1 3.2Å; R138-E140 IonicContact NH2-OE2 2.79Å; R138-E140 PolarHBondContact NH2-OE2 2.98Å; R138-E140 PolarHBondContact O-N 2.77Å | ||
| 141 | Y | 60.1 | Low | 84.5 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | trans | -96.7 | 122.7 | -173.3 | 164.5 | -117.8 | 0 | 0 | 0 | 112.1 | P143 T259 | Y141-P143 HydrophobicContact CD1-CG 4.2Å; Y141-P143 HydrophobicContact CE1-CB 4.17Å; Y141-P143 HydrophobicContact CE1-CG 3.57Å; Y141-P143 HydrophobicContact CE2-CB 4.42Å; Y141-P143 HydrophobicContact CE2-CG 4.48Å; Y141-T259 HydrophobicContact CE2-CG2 3.96Å; Y141-T259 WeakPolarHBondContact OH-CG2 3.28Å | ||
| 142 | H | 67.5 | Low | 84.5 | Confident | 93 Ų | 93 | 53.2 Ų | 53.2 | 43% | 0.431 | 28% | 0.276 | S | S | . | . | trans | -108.2 | 104.9 | 168 | -81.5 | -63.5 | 0 | 0 | 0 | 110.3 | S144 Q145 | H142-S144 PolarHBondContact O-N 3.04Å; H142-Q145 HydrophobicContact CB-CB 4.25Å; H142-Q145 HydrophobicContact CB-CG 4.2Å; H142-Q145 PolarHBondContact O-N 3.47Å; H142-Q145 VanDerWaalsContact O-N 3.15Å | ||
| 143 | P | 61.7 | Low | 84.3 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31.1 | -174.1 | -23.9 | 26.6 | 0 | 0 | 0 | 115.8 | Y141 | Y141-P143 HydrophobicContact CD1-CG 4.2Å; Y141-P143 HydrophobicContact CE1-CB 4.17Å; Y141-P143 HydrophobicContact CE1-CG 3.57Å; Y141-P143 HydrophobicContact CE2-CB 4.42Å; Y141-P143 HydrophobicContact CE2-CG 4.48Å |
| 144 | S | 63.1 | Low | 84 | Confident | 110 Ų | 110 | 63.2 Ų | 63.2 | 77% | 0.769 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.2 | -173.3 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | H142 | H142-S144 PolarHBondContact O-N 3.04Š|
| 145 | Q | 81.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | trans | -113.5 | 105.6 | -174.7 | -63.8 | -178.6 | 28.2 | 0 | 0 | 110.8 | H142 T147 R149 | H142-Q145 HydrophobicContact CB-CB 4.25Å; H142-Q145 HydrophobicContact CB-CG 4.2Å; H142-Q145 PolarHBondContact O-N 3.47Å; H142-Q145 VanDerWaalsContact O-N 3.15Å; Q145-T147 PolarHBondContact O-N 2.86Å; Q145-R149 VanDerWaalsContact OE1-CZ 3.31Å | ||
| 146 | M | 87.5 | Confident | 83.5 | Confident | 115 Ų | 115 | 71.4 Ų | 71.4 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | trans | -68.1 | -25.3 | 169.8 | -66.3 | 175.5 | 178.7 | 0 | 0 | 112.2 | N254 V255 | M146-N254 VanDerWaalsContact O-CA 3.3Å; M146-N254 WeakPolarHBondContact O-CA 3.26Å; M146-N254 PolarHBondContact O-OD1 2.85Å; M146-V255 PolarHBondContact O-N 3.05Å | ||
| 147 | T | 93.1 | Very high | 83.5 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 124.2 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | Q145 F204 Y252 V253 N254 | Q145-T147 PolarHBondContact O-N 2.86Å; T147-F204 HydrophobicContact CG2-CZ 4.22Å; T147-Y252 HydrophobicContact CG2-CD1 3.74Å; T147-Y252 HydrophobicContact CG2-CG 4.34Å; T147-V253 WeakPolarHBondContact CA-O 3.34Å; T147-N254 WeakPolarHBondContact CA-OD1 3.31Å; T147-N254 WeakPolarHBondContact CB-OD1 3.13Å; T147-N254 PolarHBondContact N-OD1 2.93Å; T147-N254 PolarHBondContact OG1-OD1 3.35Å |
| 148 | L | 93.1 | Very high | 83.9 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 140.5 | -171.8 | -55.1 | -167.8 | 0 | 0 | 0 | 111.8 | W150 V186 V253 V255 P258 L261 | L148-W150 HydrophobicContact CB-CH2 4.45Å; L148-W150 HydrophobicContact CB-CZ2 3.66Å; L148-W150 HydrophobicContact CD1-CH2 3.94Å; L148-W150 HydrophobicContact CD1-CZ2 3.79Å; L148-W150 HydrophobicContact CG-CZ2 4.31Å; L148-W150 PolarHBondContact O-NE1 2.82Å; L148-V186 HydrophobicContact CD1-CG1 3.98Å; L148-V253 HydrophobicContact CD1-CG1 4.16Å; L148-V253 PolarHBondContact N-O 3.1Å; L148-V255 HydrophobicContact CD1-CB 4.32Å; L148-V255 HydrophobicContact CD1-CG2 3.87Å; L148-V255 HydrophobicContact CD2-CB 4.29Å; L148-P258 HydrophobicContact CD2-CB 4.13Å; L148-L261 HydrophobicContact CD1-CD1 3.89Å; L148-L261 HydrophobicContact CD1-CD2 4.48Å; L148-L261 HydrophobicContact CD2-CD1 3.55Å; L148-L261 HydrophobicContact CG-CD1 4.37Å |
| 149 | R | 92.6 | Very high | 84.5 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 142.5 | 170.6 | -65.8 | 179.3 | -176.5 | -97.8 | -10.5 | 109.1 | Q145 I167 E168 | Q145-R149 VanDerWaalsContact OE1-CZ 3.31Å; R149-I167 PolarHBondContact NH1-O 3.48Å; R149-E168 VanDerWaalsContact CZ-O 3.31Å; R149-E168 PolarHBondContact NH1-O 3.04Å; R149-E168 PolarHBondContact NH2-O 3.14Å |
| 150 | W | 93.6 | Very high | 86 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 160.5 | -172.1 | -51.7 | 92.5 | 0 | 0 | 0 | 111.2 | V135 L136 L148 Y165 V186 V253 N268 F269 F270 | V135-W150 HydrophobicContact CB-CB 3.67Å; V135-W150 HydrophobicContact CB-CG 4.32Å; V135-W150 HydrophobicContact CG2-CB 3.39Å; V135-W150 HydrophobicContact CG2-CD2 4.01Å; V135-W150 HydrophobicContact CG2-CE3 4.48Å; V135-W150 HydrophobicContact CG2-CG 3.5Å; L136-W150 CarbonylContact O-C 3.55Å; L136-W150 WeakPolarHBondContact O-CA 3.4Å; L148-W150 HydrophobicContact CB-CH2 4.45Å; L148-W150 HydrophobicContact CB-CZ2 3.66Å; L148-W150 HydrophobicContact CD1-CH2 3.94Å; L148-W150 HydrophobicContact CD1-CZ2 3.79Å; L148-W150 HydrophobicContact CG-CZ2 4.31Å; L148-W150 PolarHBondContact O-NE1 2.82Å; W150-Y165 HydrophobicContact CB-CE2 4.09Å; W150-Y165 PolarHBondContact N-OH 3.47Å; W150-Y165 PolarHBondContact O-OH 3.47Å; W150-V186 HydrophobicContact CH2-CG1 4.48Å; W150-V253 HydrophobicContact CZ2-CB 3.83Å; W150-V253 HydrophobicContact CZ2-CG1 4.14Å; W150-V253 HydrophobicContact CZ2-CG2 3.87Å; W150-N268 HydrophobicContact CZ3-CB 4.17Å; W150-F269 VanDerWaalsContact CZ3-C 3.5Å; W150-F269 VanDerWaalsContact CZ3-CA 3.48Å; W150-F270 AromaticContact CD1-CD1 3.9Å; W150-F270 HydrophobicContact CD2-CB 3.87Å; W150-F270 HydrophobicContact CE3-CB 4.14Å; W150-F270 HydrophobicContact CG-CD1 4.47Å; W150-F270 HydrophobicContact CH2-CB 3.89Å; W150-F270 HydrophobicContact CZ2-CB 3.57Å; W150-F270 HydrophobicContact CZ2-CG 4.36Å; W150-F270 HydrophobicContact CZ3-CB 4.17Å; W150-F270 AromaticContact NE1-CD1 3.59Å |
| 151 | E | 94.1 | Very high | 87.4 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 115.9 | 169 | 174.9 | 40.4 | -119.6 | 0 | 0 | 108.6 | V135 L136 K153 A154 A157 | V135-E151 WeakPolarHBondContact CA-O 3.22Å; L136-E151 PolarHBondContact N-O 2.77Å; L136-E151 PolarHBondContact O-N 3.26Å; E151-K153 WeakPolarHBondContact OE1-CA 3.47Å; E151-K153 PolarHBondContact OE1-N 2.83Å; E151-A154 HydrophobicContact CG-CB 3.64Å; E151-A154 PolarHBondContact OE1-N 3.22Å; E151-A157 WeakPolarHBondContact O-CB 3.13Å |
| 152 | P | 95.1 | Very high | 89 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 10% | 0.104 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -96.4 | -5.8 | -171.2 | 37.7 | -39 | 0 | 0 | 0 | 116.2 | V135 Y165 | V135-P152 HydrophobicContact CG1-CB 4.19Å; P152-Y165 HydrophobicContact CB-CD1 3.44Å; P152-Y165 VanDerWaalsContact CB-CD1 3.44Å; P152-Y165 HydrophobicContact CB-CE1 3.99Å; P152-Y165 HydrophobicContact CB-CG 3.74Å; P152-Y165 HydrophobicContact CG-CD1 3.52Å; P152-Y165 HydrophobicContact CG-CE1 3.78Å; P152-Y165 HydrophobicContact CG-CG 4.33Å |
| 153 | K | 94.3 | Very high | 90.4 | Very high | 174 Ų | 174 | 59.7 Ų | 59.7 | 76% | 0.757 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -139.2 | -23.9 | -170.3 | -69.5 | -179 | 179.4 | -174.5 | 0 | 115.6 | E151 | E151-K153 WeakPolarHBondContact OE1-CA 3.47Å; E151-K153 PolarHBondContact OE1-N 2.83Å |
| 154 | A | 91.8 | Very high | 92.1 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 44% | 0.438 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -85.6 | 149.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E151 Q156 A157 | E151-A154 HydrophobicContact CG-CB 3.64Å; E151-A154 PolarHBondContact OE1-N 3.22Å; A154-Q156 PolarHBondContact O-N 2.9Å; A154-A157 VanDerWaalsContact O-CB 3.31Å; A154-A157 WeakPolarHBondContact O-CB 3.14Å; A154-A157 PolarHBondContact O-N 3.4Å |
| 155 | G | 91.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 68% | 0.68 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -122.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 156 | Q | 93.1 | Very high | 94.5 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 11.8 | 177.4 | -64.3 | -67.9 | -11.8 | 0 | 0 | 113 | A154 | A154-Q156 PolarHBondContact O-N 2.9Š|
| 157 | A | 95.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 52 Ų | 52 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | trans | -78.3 | 137.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | H134 L136 E151 A154 | H134-A157 CarbonylContact O-C 3.55Å; H134-A157 WeakPolarHBondContact O-CA 3.34Å; L136-A157 HydrophobicContact CD1-CB 4.25Å; L136-A157 HydrophobicContact CG-CB 4.11Å; E151-A157 WeakPolarHBondContact O-CB 3.13Å; A154-A157 VanDerWaalsContact O-CB 3.31Å; A154-A157 WeakPolarHBondContact O-CB 3.14Å; A154-A157 PolarHBondContact O-N 3.4Å | ||
| 158 | F | 96.9 | Very high | 94.5 | Very high | 96 Ų | 96 | 55.6 Ų | 55.6 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.5 | 177.2 | 72 | -90.8 | 0 | 0 | 0 | 113 | A132 A133 H134 | A132-F158 HydrophobicContact CB-CE2 3.94Å; A132-F158 HydrophobicContact CB-CZ 4.46Å; A133-F158 VanDerWaalsContact CA-O 3.24Å; A133-F158 WeakPolarHBondContact CA-O 3.32Å; A133-F158 WeakPolarHBondContact CB-O 3.41Å; H134-F158 HydrophobicContact CB-CD1 3.9Å; H134-F158 HydrophobicContact CB-CE1 3.55Å; H134-F158 HydrophobicContact CB-CZ 4.15Å; H134-F158 PolarHBondContact N-O 3.36Å; H134-F158 PolarHBondContact O-N 3.22Å; H134-F158 VanDerWaalsContact O-O 3.12Å |
| 159 | T | 97.6 | Very high | 94.3 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.8 | 164.8 | 56.1 | 0 | 0 | 0 | 0 | 109 | A133 | A133-T159 HydrophobicContact CB-CG2 4.04Å |
| 160 | S | 96.1 | Very high | 94.2 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.4 | -172.2 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | R130 A132 | R130-S160 CarbonylContact O-C 3.56Å; A132-S160 PolarHBondContact N-O 3.27Å; A132-S160 PolarHBondContact O-N 3.23Å |
| 161 | G | 95.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -139.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K129 V163 | K129-G161 WeakPolarHBondContact O-CA 3.29Å; G161-V163 PolarHBondContact O-N 3.33Å; G161-V163 VanDerWaalsContact O-N 3.16Å |
| 162 | S | 94.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 20.8 | -177.9 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | P131 N175 E176 | P131-S162 WeakPolarHBondContact CB-OG 3.37Å; P131-S162 VanDerWaalsContact CG-OG 3.23Å; P131-S162 WeakPolarHBondContact CG-OG 3.46Å; S162-N175 WeakPolarHBondContact O-CB 3.14Å; S162-N175 PolarHBondContact O-N 2.96Å; S162-E176 VanDerWaalsContact CB-OE2 3.27Å; S162-E176 WeakPolarHBondContact CB-OE2 3.49Å; S162-E176 WeakPolarHBondContact OG-CG 3.47Å; S162-E176 PolarHBondContact OG-OE2 3.02Å |
| 163 | V | 97.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.5 | 175.2 | -173.2 | 0 | 0 | 0 | 0 | 110.2 | P131 A133 G161 L172 Q173 V174 Y180 L272 | P131-V163 HydrophobicContact CB-CG2 3.82Å; A133-V163 HydrophobicContact CB-CB 4.41Å; A133-V163 HydrophobicContact CB-CG1 3.69Å; G161-V163 PolarHBondContact O-N 3.33Å; G161-V163 VanDerWaalsContact O-N 3.16Å; V163-L172 HydrophobicContact CG1-CD2 4.29Å; V163-Q173 WeakPolarHBondContact CA-O 3.3Å; V163-V174 HydrophobicContact CG2-CG1 4.38Å; V163-Y180 HydrophobicContact CG2-CE1 4.44Å; V163-L272 HydrophobicContact CB-CD1 4.5Å; V163-L272 HydrophobicContact CG1-CD1 3.9Å; V163-L272 HydrophobicContact CG2-CD1 3.72Å |
| 164 | A | 97.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q173 | A164-Q173 PolarHBondContact N-O 2.84Å; A164-Q173 PolarHBondContact O-N 2.82Å |
| 165 | Y | 97.7 | Very high | 95.1 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 145.8 | 171.8 | -179.7 | -111.2 | 0 | 0 | 0 | 111.9 | V135 W150 P152 I167 G170 A171 L172 | V135-Y165 HydrophobicContact CG1-CD2 4.48Å; W150-Y165 HydrophobicContact CB-CE2 4.09Å; W150-Y165 PolarHBondContact N-OH 3.47Å; W150-Y165 PolarHBondContact O-OH 3.47Å; P152-Y165 HydrophobicContact CB-CD1 3.44Å; P152-Y165 VanDerWaalsContact CB-CD1 3.44Å; P152-Y165 HydrophobicContact CB-CE1 3.99Å; P152-Y165 HydrophobicContact CB-CG 3.74Å; P152-Y165 HydrophobicContact CG-CD1 3.52Å; P152-Y165 HydrophobicContact CG-CE1 3.78Å; P152-Y165 HydrophobicContact CG-CG 4.33Å; Y165-I167 HydrophobicContact CD1-CG1 3.82Å; Y165-I167 HydrophobicContact CE1-CB 4.42Å; Y165-I167 HydrophobicContact CE1-CG1 3.88Å; Y165-G170 WeakPolarHBondContact CE2-O 3.34Å; Y165-A171 CarbonylContact C-O 3.51Å; Y165-A171 WeakPolarHBondContact CA-O 3.4Å; Y165-A171 VanDerWaalsContact CD2-O 3.23Å; Y165-A171 WeakPolarHBondContact CD2-O 3.41Å; Y165-L172 HydrophobicContact CD2-CD2 4.08Å |
| 166 | K | 95.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 20% | 0.204 | 23% | 0.231 | C | C | . | . | trans | -113.2 | 101.1 | -179.6 | -63.3 | -53.9 | -175.5 | -175.3 | 0 | 110 | E168 D169 G170 A171 Q173 | K166-E168 WeakPolarHBondContact CA-OE2 3.34Å; K166-E168 WeakPolarHBondContact CB-OE2 3.3Å; K166-E168 PolarHBondContact O-N 2.77Å; K166-D169 WeakPolarHBondContact CB-OD1 3.43Å; K166-D169 PolarHBondContact O-N 2.96Å; K166-G170 WeakPolarHBondContact O-CA 3.41Å; K166-G170 PolarHBondContact O-N 2.91Å; K166-A171 HydrophobicContact CB-CB 3.93Å; K166-A171 HydrophobicContact CG-CB 4.07Å; K166-A171 PolarHBondContact N-O 3.44Å; K166-Q173 HydrophobicContact CG-CB 4.23Å | ||
| 167 | I | 91 | Very high | 95.5 | Very high | 110 Ų | 110 | 39 Ų | 39 | 56% | 0.564 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.2 | -176.6 | -57.5 | 173.7 | 0 | 0 | 0 | 110.6 | R149 Y165 | R149-I167 PolarHBondContact NH1-O 3.48Å; Y165-I167 HydrophobicContact CD1-CG1 3.82Å; Y165-I167 HydrophobicContact CE1-CB 4.42Å; Y165-I167 HydrophobicContact CE1-CG1 3.88Å |
| 168 | E | 89.1 | Confident | 95.6 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -38.9 | -178.6 | 70.3 | -84.2 | -161.1 | 0 | 0 | 113.4 | R149 K166 R250 | R149-E168 VanDerWaalsContact CZ-O 3.31Å; R149-E168 PolarHBondContact NH1-O 3.04Å; R149-E168 PolarHBondContact NH2-O 3.14Å; K166-E168 WeakPolarHBondContact CA-OE2 3.34Å; K166-E168 WeakPolarHBondContact CB-OE2 3.3Å; K166-E168 PolarHBondContact O-N 2.77Å; E168-R250 IonicContact OE1-CZ 3.66Å; E168-R250 IonicContact OE1-NH1 2.82Å; E168-R250 PolarHBondContact OE1-NH1 2.86Å; E168-R250 IonicContact OE1-NH2 3.15Å; E168-R250 PolarHBondContact OE1-NH2 2.87Å |
| 169 | D | 88.7 | Confident | 95.7 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -0.6 | -168.9 | 69.7 | -3.1 | 0 | 0 | 0 | 115.3 | K166 A171 R250 Y252 | K166-D169 WeakPolarHBondContact CB-OD1 3.43Å; K166-D169 PolarHBondContact O-N 2.96Å; D169-A171 WeakPolarHBondContact OD1-CB 3.35Å; D169-A171 PolarHBondContact OD1-N 2.81Å; D169-A171 VanDerWaalsContact OD1-N 3.15Å; D169-R250 IonicContact OD1-NH1 3.38Å; D169-R250 PolarHBondContact OD1-NH1 3.32Å; D169-R250 IonicContact OD2-CZ 3.48Å; D169-R250 IonicContact OD2-NH1 2.79Å; D169-R250 PolarHBondContact OD2-NH1 2.97Å; D169-Y252 HydrophobicContact CB-CE1 4.06Å; D169-Y252 WeakPolarHBondContact OD2-CE1 3.5Å; D169-Y252 PolarHBondContact OD2-OH 2.9Å |
| 170 | G | 92.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 84.5 | 6.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y165 K166 | Y165-G170 WeakPolarHBondContact CE2-O 3.34Å; K166-G170 WeakPolarHBondContact O-CA 3.41Å; K166-G170 PolarHBondContact O-N 2.91Å | ||
| 171 | A | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -74.2 | 149.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y165 K166 D169 R250 V251 Y252 | Y165-A171 CarbonylContact C-O 3.51Å; Y165-A171 WeakPolarHBondContact CA-O 3.4Å; Y165-A171 VanDerWaalsContact CD2-O 3.23Å; Y165-A171 WeakPolarHBondContact CD2-O 3.41Å; K166-A171 HydrophobicContact CB-CB 3.93Å; K166-A171 HydrophobicContact CG-CB 4.07Å; K166-A171 PolarHBondContact N-O 3.44Å; D169-A171 WeakPolarHBondContact OD1-CB 3.35Å; D169-A171 PolarHBondContact OD1-N 2.81Å; D169-A171 VanDerWaalsContact OD1-N 3.15Å; A171-R250 HydrophobicContact CB-CB 3.87Å; A171-R250 HydrophobicContact CB-CG 4.16Å; A171-V251 WeakPolarHBondContact CA-O 3.48Å; A171-Y252 HydrophobicContact CB-CD1 3.94Å; A171-Y252 HydrophobicContact CB-CE1 3.54Å; A171-Y252 HydrophobicContact CB-CE2 4.19Å; A171-Y252 HydrophobicContact CB-CG 4.45Å | ||
| 172 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.5 | 150.8 | -71.5 | 176.3 | 0 | 0 | 0 | 108.4 | A133 V135 V163 Y165 V251 F270 L272 | A133-L172 HydrophobicContact CB-CD1 4Å; A133-L172 HydrophobicContact CB-CD2 3.65Å; A133-L172 HydrophobicContact CB-CG 4.49Å; V135-L172 HydrophobicContact CG1-CD2 4.04Å; V135-L172 HydrophobicContact CG2-CD1 4.42Å; V163-L172 HydrophobicContact CG1-CD2 4.29Å; Y165-L172 HydrophobicContact CD2-CD2 4.08Å; L172-V251 PolarHBondContact N-O 3.46Å; L172-V251 PolarHBondContact O-N 2.85Å; L172-F270 HydrophobicContact CB-CE1 3.9Å; L172-F270 HydrophobicContact CB-CZ 4.03Å; L172-F270 HydrophobicContact CD1-CD1 3.83Å; L172-F270 HydrophobicContact CD1-CE1 3.56Å; L172-F270 HydrophobicContact CD1-CE2 4.24Å; L172-F270 HydrophobicContact CD1-CG 4.3Å; L172-F270 HydrophobicContact CD1-CZ 3.77Å; L172-F270 HydrophobicContact CG-CD1 4.07Å; L172-F270 HydrophobicContact CG-CE1 3.55Å; L172-F270 HydrophobicContact CG-CZ 4.04Å; L172-L272 HydrophobicContact CB-CD2 3.83Å; L172-L272 HydrophobicContact CD1-CD2 4.07Å; L172-L272 HydrophobicContact CD1-CG 4.13Å |
| 173 | Q | 98.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.1 | 176.4 | -169.2 | -174.2 | -72.7 | 0 | 0 | 110.3 | V163 A164 K166 N175 D249 R250 | V163-Q173 WeakPolarHBondContact CA-O 3.3Å; A164-Q173 PolarHBondContact N-O 2.84Å; A164-Q173 PolarHBondContact O-N 2.82Å; K166-Q173 HydrophobicContact CG-CB 4.23Å; Q173-N175 PolarHBondContact NE2-OD1 3.02Å; Q173-D249 WeakPolarHBondContact CA-O 3.26Å; Q173-R250 HydrophobicContact CB-CG 4.12Å; Q173-R250 HydrophobicContact CG-CG 3.94Å |
| 174 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | 170.5 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | V163 Y180 L245 M246 F248 D249 L272 | V163-V174 HydrophobicContact CG2-CG1 4.38Å; V174-Y180 HydrophobicContact CB-CE1 4.47Å; V174-Y180 HydrophobicContact CB-CE2 4.41Å; V174-Y180 HydrophobicContact CG1-CD1 4.28Å; V174-Y180 HydrophobicContact CG1-CE1 3.73Å; V174-Y180 HydrophobicContact CG1-CE2 4.2Å; V174-L245 HydrophobicContact CG1-CD1 3.92Å; V174-L245 HydrophobicContact CG2-CB 3.98Å; V174-L245 HydrophobicContact CG2-CD1 4.26Å; V174-M246 WeakPolarHBondContact CG2-O 2.99Å; V174-F248 WeakPolarHBondContact O-CA 3.25Å; V174-F248 PolarHBondContact O-N 2.9Å; V174-D249 HydrophobicContact CG2-CB 3.98Å; V174-D249 PolarHBondContact N-O 2.86Å; V174-D249 VanDerWaalsContact N-O 3.12Å; V174-L272 HydrophobicContact CG1-CD1 3.76Å; V174-L272 HydrophobicContact CG1-CD2 4.29Å |
| 175 | N | 96.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -105.3 | 7.1 | -179.5 | -62.4 | -37.6 | 0 | 0 | 0 | 113.4 | S162 Q173 K247 | S162-N175 WeakPolarHBondContact O-CB 3.14Å; S162-N175 PolarHBondContact O-N 2.96Å; Q173-N175 PolarHBondContact NE2-OD1 3.02Å; N175-K247 WeakPolarHBondContact O-CD 3.37Å; N175-K247 WeakPolarHBondContact O-CE 3.4Å; N175-K247 WeakPolarHBondContact O-CG 3.38Å |
| 176 | E | 95.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -137.8 | 157.8 | 169.2 | 69.6 | -171.3 | -108 | 0 | 0 | 110.7 | P131 S162 Y180 K274 | P131-E176 HydrophobicContact CG-CG 4.49Å; P131-E176 WeakPolarHBondContact CG-OE2 3.34Å; S162-E176 VanDerWaalsContact CB-OE2 3.27Å; S162-E176 WeakPolarHBondContact CB-OE2 3.49Å; S162-E176 WeakPolarHBondContact OG-CG 3.47Å; S162-E176 PolarHBondContact OG-OE2 3.02Å; E176-Y180 VanDerWaalsContact CG-OH 3.24Å; E176-Y180 WeakPolarHBondContact CG-OH 3.38Å; E176-Y180 PolarHBondContact O-OH 2.82Å; E176-K274 HydrophobicContact CG-CD 4.39Å; E176-K274 WeakPolarHBondContact OE1-CD 3.42Å; E176-K274 WeakPolarHBondContact OE1-CE 3.27Å; E176-K274 IonicContact OE1-NZ 3.04Å; E176-K274 PolarHBondContact OE1-NZ 3.09Å |
| 177 | S | 97.6 | Very high | 96.2 | Very high | 63 Ų | 63 | 34 Ų | 34 | 44% | 0.441 | 17% | 0.171 | S | C | . | . | trans | -82.6 | 150.6 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | L245 K247 K274 | S177-L245 WeakPolarHBondContact CA-O 3.44Å; S177-K247 PolarHBondContact OG-N 2.97Å; S177-K274 PolarHBondContact O-NZ 3.41Å | ||
| 178 | G | 97.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y180 Q244 L245 | G178-Y180 WeakPolarHBondContact O-CD2 3.24Å; G178-Q244 VanDerWaalsContact C-NE2 3.32Å; G178-Q244 PolarHBondContact O-NE2 2.89Å; G178-L245 PolarHBondContact N-O 3Å; G178-L245 PolarHBondContact O-N 3.4Å |
| 179 | L | 98.4 | Very high | 96.5 | Very high | 79 Ų | 79 | 27 Ų | 27 | 41% | 0.414 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.5 | 164.4 | -175.1 | 68.8 | 0 | 0 | 0 | 108.1 | I275 | L179-I275 HydrophobicContact CD2-CB 4.33Å; L179-I275 HydrophobicContact CD2-CD1 4.04Å; L179-I275 HydrophobicContact CD2-CG2 4.35Å; L179-I275 HydrophobicContact CG-CB 4.45Å; L179-I275 HydrophobicContact CG-CD1 4.06Å; L179-I275 PolarHBondContact O-N 3.46Å |
| 180 | Y | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138 | 177.6 | -72.9 | -100.3 | 0 | 0 | 0 | 109.7 | P131 V163 V174 E176 G178 G242 L243 L245 L272 Y273 K274 | P131-Y180 HydrophobicContact CB-CE1 4.14Å; V163-Y180 HydrophobicContact CG2-CE1 4.44Å; V174-Y180 HydrophobicContact CB-CE1 4.47Å; V174-Y180 HydrophobicContact CB-CE2 4.41Å; V174-Y180 HydrophobicContact CG1-CD1 4.28Å; V174-Y180 HydrophobicContact CG1-CE1 3.73Å; V174-Y180 HydrophobicContact CG1-CE2 4.2Å; E176-Y180 VanDerWaalsContact CG-OH 3.24Å; E176-Y180 WeakPolarHBondContact CG-OH 3.38Å; E176-Y180 PolarHBondContact O-OH 2.82Å; G178-Y180 WeakPolarHBondContact O-CD2 3.24Å; Y180-G242 CarbonylContact O-C 3.55Å; Y180-G242 WeakPolarHBondContact O-CA 3.22Å; Y180-L243 PolarHBondContact N-O 2.93Å; Y180-L243 PolarHBondContact O-N 2.95Å; Y180-L245 HydrophobicContact CD1-CD1 4.5Å; Y180-L245 HydrophobicContact CD2-CB 3.73Å; Y180-L245 HydrophobicContact CD2-CD1 3.79Å; Y180-L245 HydrophobicContact CD2-CG 3.9Å; Y180-L245 HydrophobicContact CE2-CB 4.05Å; Y180-L245 HydrophobicContact CE2-CD1 4.42Å; Y180-L245 HydrophobicContact CG-CD1 3.84Å; Y180-L245 HydrophobicContact CG-CG 4.33Å; Y180-L272 HydrophobicContact CD1-CD1 3.54Å; Y180-L272 HydrophobicContact CE1-CD1 3.8Å; Y180-Y273 CarbonylContact C-O 3.53Å; Y180-Y273 VanDerWaalsContact CA-O 3.25Å; Y180-Y273 WeakPolarHBondContact CA-O 3.36Å; Y180-Y273 VanDerWaalsContact CD1-C 3.49Å; Y180-K274 HydrophobicContact CD1-CB 3.91Å; Y180-K274 HydrophobicContact CE1-CB 3.63Å; Y180-K274 HydrophobicContact CE1-CG 4.38Å; Y180-K274 HydrophobicContact CE2-CD 4.45Å |
| 181 | H | 98.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.4 | 156.5 | -167.9 | 72.7 | 0 | 0 | 0 | 107.5 | Y183 G241 L272 Y273 I275 | H181-Y183 AromaticContact CD2-CD1 3.88Å; H181-G241 WeakPolarHBondContact CA-O 3.31Å; H181-L272 CarbonylContact O-C 3.49Å; H181-L272 WeakPolarHBondContact O-CA 3.36Å; H181-L272 WeakPolarHBondContact O-CB 3.34Å; H181-Y273 HydrophobicContact CB-CD1 4.2Å; H181-Y273 HydrophobicContact CB-CD2 4.31Å; H181-Y273 HydrophobicContact CB-CE1 3.68Å; H181-Y273 HydrophobicContact CB-CE2 3.79Å; H181-Y273 HydrophobicContact CB-CG 4.49Å; H181-Y273 VanDerWaalsContact CB-CZ 3.44Å; H181-Y273 AromaticContact CD2-CE1 3.73Å; H181-Y273 AromaticContact CG-CE1 3.99Å; H181-Y273 AromaticContact CG-CZ 3.91Å; H181-Y273 PolarHBondContact N-O 2.94Å; H181-Y273 PolarHBondContact O-N 3.4Å; H181-I275 HydrophobicContact CB-CD1 4.1Å; H181-I275 HydrophobicContact CB-CG1 4.38Å |
| 182 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.6 | 179.6 | -164.6 | 0 | 0 | 0 | 0 | 107.4 | M203 M217 G240 G241 L243 L245 V251 F270 L272 | V182-M203 HydrophobicContact CB-CE 4.27Å; V182-M203 HydrophobicContact CG1-CE 3.46Å; V182-M203 VanDerWaalsContact CG1-CE 3.46Å; V182-M217 WeakPolarHBondContact O-CE 3.38Å; V182-G240 WeakPolarHBondContact O-CA 3.45Å; V182-G241 PolarHBondContact N-O 2.87Å; V182-G241 PolarHBondContact O-N 2.87Å; V182-L243 HydrophobicContact CB-CD1 4.21Å; V182-L243 HydrophobicContact CG2-CB 4.25Å; V182-L243 HydrophobicContact CG2-CD1 4.1Å; V182-L245 HydrophobicContact CG2-CD1 4.18Å; V182-V251 HydrophobicContact CG1-CG1 4.02Å; V182-F270 HydrophobicContact CG1-CE2 4.19Å; V182-L272 HydrophobicContact CB-CB 4.27Å; V182-L272 HydrophobicContact CG1-CB 4.04Å; V182-L272 HydrophobicContact CG1-CD2 4.41Å; V182-L272 HydrophobicContact CG2-CB 4.17Å |
| 183 | Y | 98.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 12% | 0.122 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.4 | -173.4 | 64.9 | -83.6 | 0 | 0 | 0 | 113.4 | H134 H181 Y238 L239 F269 F270 G271 Y273 | H134-Y183 AromaticContact ND1-CE2 3.75Å; H134-Y183 AromaticContact ND1-CZ 3.77Å; H134-Y183 PolarHBondContact ND1-OH 3.28Å; H181-Y183 AromaticContact CD2-CD1 3.88Å; Y183-Y238 WeakPolarHBondContact CB-OH 3.25Å; Y183-L239 CarbonylContact C-O 3.58Å; Y183-L239 WeakPolarHBondContact CA-O 3.21Å; Y183-F269 HydrophobicContact CD2-CD2 4.13Å; Y183-F269 HydrophobicContact CD2-CE2 4.01Å; Y183-F269 AromaticContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CE2 4.08Å; Y183-F270 WeakPolarHBondContact O-CD2 3.5Å; Y183-G271 WeakPolarHBondContact CD1-O 3.28Å; Y183-G271 PolarHBondContact N-O 3.1Å; Y183-G271 PolarHBondContact O-N 3.39Å; Y183-G271 VanDerWaalsContact O-O 3.11Å; Y183-Y273 HydrophobicContact CE1-CD1 4.32Å |
| 184 | S | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 145.9 | 170.8 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | Y238 L239 F269 | S184-Y238 CarbonylContact O-C 3.5Å; S184-Y238 WeakPolarHBondContact O-CA 3.46Å; S184-L239 PolarHBondContact N-O 2.9Å; S184-L239 PolarHBondContact O-N 3.21Å; S184-F269 CarbonylContact C-O 3.54Å; S184-F269 VanDerWaalsContact CA-O 3.24Å; S184-F269 WeakPolarHBondContact CA-O 3.49Å; S184-F269 PolarHBondContact OG-O 2.94Å |
| 185 | R | 97.7 | Very high | 94.8 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 25% | 0.249 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.2 | 167.3 | -171.3 | -175.1 | -178 | -147.2 | 1.6 | 109.1 | E236 S237 Y238 N268 F269 | R185-E236 IonicContact CZ-OE2 2.79Å; R185-E236 VanDerWaalsContact CZ-OE2 3.25Å; R185-E236 IonicContact NE-OE2 3.49Å; R185-E236 PolarHBondContact NE-OE2 3.05Å; R185-E236 IonicContact NH2-OE2 2.7Å; R185-E236 PolarHBondContact NH2-OE2 2.88Å; R185-S237 WeakPolarHBondContact CA-O 3.28Å; R185-Y238 HydrophobicContact CB-CD2 4.07Å; R185-N268 WeakPolarHBondContact O-CA 3.26Å; R185-F269 HydrophobicContact CB-CD1 4.11Å; R185-F269 HydrophobicContact CB-CD2 3.98Å; R185-F269 HydrophobicContact CB-CE1 3.75Å; R185-F269 HydrophobicContact CB-CE2 3.59Å; R185-F269 HydrophobicContact CB-CG 4.23Å; R185-F269 HydrophobicContact CB-CZ 3.47Å; R185-F269 VanDerWaalsContact CB-CZ 3.47Å; R185-F269 HydrophobicContact CG-CE1 4.3Å; R185-F269 HydrophobicContact CG-CZ 4.24Å; R185-F269 PolarHBondContact N-O 3.36Å; R185-F269 PolarHBondContact O-N 2.86Å |
| 186 | V | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.6 | 168.4 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L148 W150 L188 F199 H201 E236 S237 V255 L261 N268 | L148-V186 HydrophobicContact CD1-CG1 3.98Å; W150-V186 HydrophobicContact CH2-CG1 4.48Å; V186-L188 HydrophobicContact CB-CD1 4.16Å; V186-L188 HydrophobicContact CG2-CD1 4Å; V186-F199 HydrophobicContact CG2-CE2 4.15Å; V186-H201 HydrophobicContact CG2-CB 3.91Å; V186-E236 CarbonylContact O-C 3.57Å; V186-E236 VanDerWaalsContact O-CA 3.24Å; V186-E236 WeakPolarHBondContact O-CA 3.39Å; V186-E236 WeakPolarHBondContact O-CB 3.49Å; V186-S237 PolarHBondContact N-O 2.83Å; V186-S237 PolarHBondContact O-N 2.7Å; V186-V255 HydrophobicContact CB-CG2 4.21Å; V186-V255 HydrophobicContact CG1-CG2 3.89Å; V186-V255 HydrophobicContact CG2-CG2 3.97Å; V186-L261 HydrophobicContact CB-CD2 4.15Å; V186-L261 HydrophobicContact CG1-CD2 4.46Å; V186-N268 WeakPolarHBondContact CA-OD1 3.34Å |
| 187 | E | 95.5 | Very high | 94.4 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.4 | 179.4 | -179.4 | -178.4 | 79.3 | 0 | 0 | 108.7 | T234 S262 N268 | E187-T234 HydrophobicContact CG-CG2 3.52Å; E187-S262 WeakPolarHBondContact O-CB 3.43Å; E187-S262 PolarHBondContact O-N 2.74Å; E187-S262 WeakPolarHBondContact OE1-CB 3.49Å; E187-S262 PolarHBondContact OE1-OG 2.93Å; E187-N268 PolarHBondContact N-OD1 2.94Å |
| 188 | L | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.1 | -178.7 | -75.8 | 76.3 | 0 | 0 | 0 | 111.1 | V186 F190 F199 T234 A235 V255 H257 Y260 L261 | V186-L188 HydrophobicContact CB-CD1 4.16Å; V186-L188 HydrophobicContact CG2-CD1 4Å; L188-F190 HydrophobicContact CB-CD2 4.2Å; L188-F190 HydrophobicContact CB-CE2 3.68Å; L188-F190 HydrophobicContact CB-CZ 4.47Å; L188-F190 HydrophobicContact CD2-CE2 4.06Å; L188-F190 HydrophobicContact CD2-CZ 4.05Å; L188-F199 HydrophobicContact CD1-CD2 3.99Å; L188-F199 HydrophobicContact CD1-CE2 3.81Å; L188-F199 HydrophobicContact CD1-CG 4.49Å; L188-F199 HydrophobicContact CD1-CZ 4.17Å; L188-F199 HydrophobicContact CD2-CB 3.91Å; L188-F199 HydrophobicContact CD2-CD1 4.16Å; L188-F199 HydrophobicContact CD2-CD2 4.01Å; L188-F199 HydrophobicContact CD2-CG 3.79Å; L188-T234 CarbonylContact O-C 3.47Å; L188-T234 WeakPolarHBondContact O-CA 3.28Å; L188-A235 PolarHBondContact N-O 2.89Å; L188-A235 PolarHBondContact O-N 2.81Å; L188-V255 HydrophobicContact CD1-CG1 4.22Å; L188-V255 HydrophobicContact CD2-CG1 3.95Å; L188-H257 HydrophobicContact CD2-CB 4.01Å; L188-Y260 CarbonylContact C-O 3.47Å; L188-Y260 VanDerWaalsContact CA-O 3.27Å; L188-Y260 WeakPolarHBondContact CA-O 3.14Å; L188-L261 HydrophobicContact CD1-CD2 3.78Å; L188-L261 HydrophobicContact CG-CD2 4.14Å |
| 189 | I | 92.8 | Very high | 94.3 | Very high | 67 Ų | 67 | 48 Ų | 48 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 96.6 | 179 | -54.5 | 176.3 | 0 | 0 | 0 | 109 | K191 Y260 | I189-K191 PolarHBondContact O-N 3.37Å; I189-Y260 PolarHBondContact N-O 2.96Å |
| 190 | F | 92.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 107.1 | 176 | -70.7 | -98.4 | 0 | 0 | 0 | 109.4 | L188 C193 F199 F224 P232 W233 A235 Y260 | L188-F190 HydrophobicContact CB-CD2 4.2Å; L188-F190 HydrophobicContact CB-CE2 3.68Å; L188-F190 HydrophobicContact CB-CZ 4.47Å; L188-F190 HydrophobicContact CD2-CE2 4.06Å; L188-F190 HydrophobicContact CD2-CZ 4.05Å; F190-C193 HydrophobicContact CB-CB 4.48Å; F190-F199 AromaticContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CE1 4.26Å; F190-F199 HydrophobicContact CZ-CB 4.26Å; F190-F199 AromaticContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CG 4.43Å; F190-F224 AromaticContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CZ 4.03Å; F190-F224 HydrophobicContact CE1-CZ 4.23Å; F190-F224 AromaticContact CE2-CE2 3.87Å; F190-F224 HydrophobicContact CE2-CE2 3.87Å; F190-F224 AromaticContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CG-CE2 4.2Å; F190-F224 HydrophobicContact CZ-CE2 4.3Å; F190-F224 AromaticContact CZ-CZ 3.71Å; F190-F224 HydrophobicContact CZ-CZ 3.71Å; F190-P232 CarbonylContact O-C 3.58Å; F190-P232 VanDerWaalsContact O-CA 3.31Å; F190-P232 WeakPolarHBondContact O-CA 3.26Å; F190-W233 PolarHBondContact N-O 3.19Å; F190-W233 PolarHBondContact O-N 2.89Å; F190-A235 HydrophobicContact CE2-CB 4.4Å; F190-Y260 AromaticContact CD1-CD2 3.66Å; F190-Y260 HydrophobicContact CD1-CD2 3.66Å; F190-Y260 AromaticContact CD1-CE2 3.77Å; F190-Y260 HydrophobicContact CD1-CE2 3.77Å; F190-Y260 AromaticContact CE1-CD2 3.57Å; F190-Y260 HydrophobicContact CE1-CD2 3.57Å; F190-Y260 AromaticContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CG-CD2 4.28Å; F190-Y260 HydrophobicContact CZ-CD2 4.13Å |
| 191 | K | 89.3 | Confident | 94.2 | Very high | 160 Ų | 160 | 46 Ų | 46 | 70% | 0.696 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -61.7 | -44.5 | 179.6 | -66 | -179 | -179.1 | 177.7 | 0 | 112.4 | I189 P232 | I189-K191 PolarHBondContact O-N 3.37Å; K191-P232 WeakPolarHBondContact O-CA 3.4Å |
| 192 | N | 87.1 | Confident | 94.2 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -115 | 93.3 | 173.6 | -64.4 | -2.5 | 0 | 0 | 0 | 108.3 | ||
| 193 | C | 89.5 | Confident | 94.2 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | trans | -78.5 | 129.2 | 176.3 | -142.2 | 0 | 0 | 0 | 0 | 110.1 | F190 C225 W233 | F190-C193 HydrophobicContact CB-CB 4.48Å; C193-C225 VanDerWaalsContact C-SG 3.59Å; C193-C225 VanDerWaalsContact CA-SG 3.52Å; C193-C225 HydrophobicContact CB-CB 3.75Å; C193-C225 WeakPolarHBondContact CB-SG 3.33Å; C193-C225 VanDerWaalsContact SG-CA 3.6Å; C193-C225 WeakPolarHBondContact SG-CB 3.45Å; C193-C225 CovalentContact SG-SG 2.02Å; C193-C225 PolarHBondContact SG-SG 2.95Å; C193-W233 HydrophobicContact CB-CB 3.74Å; C193-W233 WeakPolarHBondContact SG-CB 3.45Å; C193-W233 VanDerWaalsContact SG-CG 3.59Å | ||
| 194 | H | 88.9 | Confident | 94.1 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 37% | 0.366 | 22% | 0.219 | S | C | . | . | trans | -121.7 | 153.1 | 173.7 | -61.9 | -70.1 | 0 | 0 | 0 | 110.1 | T196 S197 C225 N230 | H194-T196 PolarHBondContact O-N 3.44Å; H194-S197 PolarHBondContact N-OG 3.43Å; H194-S197 VanDerWaalsContact O-CB 3.23Å; H194-S197 WeakPolarHBondContact O-CB 3.39Å; H194-S197 PolarHBondContact O-N 3.48Å; H194-S197 PolarHBondContact O-OG 2.85Å; H194-C225 PolarHBondContact N-SG 3.15Å; H194-C225 VanDerWaalsContact N-SG 3.35Å; H194-C225 WeakPolarHBondContact O-CB 3.23Å; H194-C225 PolarHBondContact O-SG 2.88Å; H194-N230 PolarHBondContact CE1-OD1 3.44Å | ||
| 195 | P | 89.2 | Confident | 94.1 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 60% | 0.597 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.5 | 177.4 | -27.8 | 36.4 | 0 | 0 | 0 | 114.7 | ||
| 196 | T | 90.9 | Very high | 94.1 | Very high | 119 Ų | 119 | 45.4 Ų | 45.4 | 73% | 0.73 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.8 | 174.9 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | H194 | H194-T196 PolarHBondContact O-N 3.44Š|
| 197 | S | 93 | Very high | 94.1 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | trans | -66.5 | 137.3 | 175.6 | -64 | 0 | 0 | 0 | 0 | 110.9 | H194 | H194-S197 PolarHBondContact N-OG 3.43Å; H194-S197 VanDerWaalsContact O-CB 3.23Å; H194-S197 WeakPolarHBondContact O-CB 3.39Å; H194-S197 PolarHBondContact O-N 3.48Å; H194-S197 PolarHBondContact O-OG 2.85Å | ||
| 198 | W | 95.4 | Very high | 93.8 | Very high | 110 Ų | 110 | 51.9 Ų | 51.9 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 164.6 | -178.5 | 65.4 | -85.1 | 0 | 0 | 0 | 110.9 | N200 H220 R221 H257 | W198-N200 HydrophobicContact CZ3-CB 4.29Å; W198-N200 VanDerWaalsContact CZ3-OD1 3.26Å; W198-N200 WeakPolarHBondContact CZ3-OD1 3.46Å; W198-H220 AromaticContact CE3-CE1 3.88Å; W198-H220 AromaticContact CE3-ND1 3.93Å; W198-R221 CarbonylContact C-O 3.42Å; W198-R221 WeakPolarHBondContact CA-O 3.32Å; W198-R221 WeakPolarHBondContact CB-O 3.44Å; W198-H257 PolarHBondContact O-CE1 3.31Å; W198-H257 PolarHBondContact O-ND1 2.92Å |
| 199 | F | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145.4 | 159.7 | 66.7 | -81.2 | 0 | 0 | 0 | 111.2 | V186 L188 F190 H201 R221 F224 A235 S256 | V186-F199 HydrophobicContact CG2-CE2 4.15Å; L188-F199 HydrophobicContact CD1-CD2 3.99Å; L188-F199 HydrophobicContact CD1-CE2 3.81Å; L188-F199 HydrophobicContact CD1-CG 4.49Å; L188-F199 HydrophobicContact CD1-CZ 4.17Å; L188-F199 HydrophobicContact CD2-CB 3.91Å; L188-F199 HydrophobicContact CD2-CD1 4.16Å; L188-F199 HydrophobicContact CD2-CD2 4.01Å; L188-F199 HydrophobicContact CD2-CG 3.79Å; F190-F199 AromaticContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CD1 3.85Å; F190-F199 HydrophobicContact CE2-CE1 4.26Å; F190-F199 HydrophobicContact CZ-CB 4.26Å; F190-F199 AromaticContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CD1 3.83Å; F190-F199 HydrophobicContact CZ-CG 4.43Å; F199-H201 HydrophobicContact CD2-CB 4.44Å; F199-H201 HydrophobicContact CE2-CB 4.35Å; F199-R221 HydrophobicContact CD1-CB 3.87Å; F199-R221 HydrophobicContact CE1-CB 3.56Å; F199-R221 HydrophobicContact CE1-CG 4.06Å; F199-R221 HydrophobicContact CE2-CB 4.31Å; F199-R221 HydrophobicContact CE2-CG 4.08Å; F199-R221 HydrophobicContact CG-CB 4.37Å; F199-R221 HydrophobicContact CZ-CB 3.81Å; F199-R221 HydrophobicContact CZ-CG 3.76Å; F199-R221 PolarHBondContact N-O 2.92Å; F199-R221 PolarHBondContact O-N 3.2Å; F199-F224 AromaticContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CZ 4.11Å; F199-F224 HydrophobicContact CE1-CE1 4.02Å; F199-F224 HydrophobicContact CE1-CZ 4.4Å; F199-A235 HydrophobicContact CE1-CB 3.81Å; F199-S256 VanDerWaalsContact CA-OG 3.23Å; F199-S256 WeakPolarHBondContact CA-OG 3.25Å; F199-S256 VanDerWaalsContact CB-OG 3.31Å; F199-S256 WeakPolarHBondContact CB-OG 3.32Å |
| 200 | N | 97.7 | Very high | 93.6 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.9 | 160.6 | -65.9 | 21.5 | 0 | 0 | 0 | 109.5 | W198 V202 E218 A219 H220 S256 | W198-N200 HydrophobicContact CZ3-CB 4.29Å; W198-N200 VanDerWaalsContact CZ3-OD1 3.26Å; W198-N200 WeakPolarHBondContact CZ3-OD1 3.46Å; N200-V202 HydrophobicContact CB-CG2 4.17Å; N200-E218 PolarHBondContact ND2-OE1 2.94Å; N200-A219 WeakPolarHBondContact CA-O 3.38Å; N200-H220 PolarHBondContact OD1-ND1 2.83Å; N200-S256 PolarHBondContact N-OG 2.88Å; N200-S256 PolarHBondContact O-N 3.22Å; N200-S256 PolarHBondContact O-OG 3.42Å |
| 201 | H | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.9 | 166.5 | 168 | -147.3 | 0 | 0 | 0 | 106.9 | V186 F199 E218 A219 S237 V255 | V186-H201 HydrophobicContact CG2-CB 3.91Å; F199-H201 HydrophobicContact CD2-CB 4.44Å; F199-H201 HydrophobicContact CE2-CB 4.35Å; H201-E218 WeakPolarHBondContact O-CA 3.45Å; H201-A219 PolarHBondContact N-O 3.13Å; H201-A219 PolarHBondContact O-N 3.43Å; H201-S237 PolarHBondContact ND1-OG 2.92Å; H201-V255 HydrophobicContact CB-CG2 4.45Å |
| 202 | V | 98.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130 | -168.8 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | N200 T215 E218 V253 N254 | N200-V202 HydrophobicContact CB-CG2 4.17Å; V202-T215 HydrophobicContact CG1-CG2 3.83Å; V202-E218 HydrophobicContact CG1-CB 4.36Å; V202-E218 HydrophobicContact CG2-CB 4.35Å; V202-E218 HydrophobicContact CG2-CG 3.91Å; V202-E218 VanDerWaalsContact CG2-OE1 3.32Å; V202-E218 WeakPolarHBondContact CG2-OE1 3.21Å; V202-V253 CarbonylContact O-C 3.56Å; V202-V253 WeakPolarHBondContact O-CA 3.47Å; V202-N254 HydrophobicContact CB-CB 4.18Å; V202-N254 PolarHBondContact N-O 3.28Å; V202-N254 PolarHBondContact O-N 3.22Å |
| 203 | M | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.5 | 171 | -62.6 | 175.6 | 68.6 | 0 | 0 | 109 | V182 L216 M217 L239 Y252 V253 F270 | V182-M203 HydrophobicContact CB-CE 4.27Å; V182-M203 HydrophobicContact CG1-CE 3.46Å; V182-M203 VanDerWaalsContact CG1-CE 3.46Å; M203-L216 WeakPolarHBondContact O-CB 3.48Å; M203-L216 PolarHBondContact O-N 2.58Å; M203-M217 HydrophobicContact CB-CB 4.43Å; M203-M217 HydrophobicContact CE-CE 3.88Å; M203-M217 PolarHBondContact N-O 2.86Å; M203-M217 PolarHBondContact O-N 2.94Å; M203-M217 HydrophobicContact SD-CE 3.53Å; M203-M217 VanDerWaalsContact SD-CE 3.53Å; M203-L239 HydrophobicContact CG-CB 4.4Å; M203-L239 HydrophobicContact CG-CD1 3.92Å; M203-L239 HydrophobicContact SD-CB 3.49Å; M203-L239 WeakPolarHBondContact SD-CB 3.24Å; M203-L239 HydrophobicContact SD-CD1 4.11Å; M203-L239 HydrophobicContact SD-CG 4.46Å; M203-Y252 WeakPolarHBondContact CA-O 3.09Å; M203-V253 HydrophobicContact CG-CG2 4.31Å; M203-F270 HydrophobicContact CE-CD2 4.08Å; M203-F270 HydrophobicContact CE-CE2 3.87Å |
| 204 | F | 98.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.2 | -174.4 | 68 | -86.7 | 0 | 0 | 0 | 112.3 | T147 R206 P213 L214 V251 Y252 N254 | T147-F204 HydrophobicContact CG2-CZ 4.22Å; F204-R206 HydrophobicContact CD2-CG 4.45Å; F204-R206 HydrophobicContact CE2-CG 4.23Å; F204-P213 HydrophobicContact CD2-CB 3.77Å; F204-P213 HydrophobicContact CE2-CB 4.3Å; F204-L214 CarbonylContact C-O 3.58Å; F204-L214 VanDerWaalsContact CA-O 3.3Å; F204-L214 WeakPolarHBondContact CA-O 3.4Å; F204-L214 WeakPolarHBondContact CB-O 3.49Å; F204-V251 WeakPolarHBondContact O-CA 3.34Å; F204-Y252 AromaticContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CG 4.38Å; F204-Y252 VanDerWaalsContact CE1-CB 3.49Å; F204-Y252 HydrophobicContact CE1-CG 4.39Å; F204-Y252 AromaticContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CE2 4.28Å; F204-Y252 AromaticContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CZ-CD1 4.37Å; F204-Y252 HydrophobicContact CZ-CD2 4.06Å; F204-Y252 AromaticContact CZ-CG 3.7Å; F204-Y252 HydrophobicContact CZ-CG 3.7Å; F204-Y252 PolarHBondContact N-O 2.87Å; F204-Y252 PolarHBondContact O-N 3.4Å; F204-N254 HydrophobicContact CD1-CB 4.35Å; F204-N254 HydrophobicContact CE1-CB 3.93Å; F204-N254 WeakPolarHBondContact CE1-OD1 3.3Å |
| 205 | V | 97.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 143.4 | 176.7 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | P213 L214 L216 D249 R250 V251 | V205-P213 WeakPolarHBondContact O-CA 3.24Å; V205-L214 HydrophobicContact CG1-CB 3.81Å; V205-L214 HydrophobicContact CG1-CD2 4.16Å; V205-L214 HydrophobicContact CG1-CG 4.26Å; V205-L214 PolarHBondContact N-O 3.32Å; V205-L214 PolarHBondContact O-N 2.84Å; V205-L216 HydrophobicContact CB-CD1 4.17Å; V205-L216 HydrophobicContact CB-CD2 4.3Å; V205-L216 HydrophobicContact CB-CG 4.31Å; V205-L216 HydrophobicContact CG1-CD2 3.84Å; V205-L216 HydrophobicContact CG1-CG 4.24Å; V205-D249 HydrophobicContact CG2-CB 3.58Å; V205-R250 CarbonylContact C-O 3.56Å; V205-R250 VanDerWaalsContact CA-O 3.3Å; V205-R250 WeakPolarHBondContact CA-O 3.23Å; V205-R250 WeakPolarHBondContact CG2-O 3.06Å; V205-V251 HydrophobicContact CG2-CG2 4.36Å |
| 206 | R | 97.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.1 | 162.6 | -60.6 | -178.3 | -179.2 | 141.8 | -1.4 | 109.6 | F204 P213 R250 Y252 | F204-R206 HydrophobicContact CD2-CG 4.45Å; F204-R206 HydrophobicContact CE2-CG 4.23Å; R206-P213 HydrophobicContact CG-CB 4.11Å; R206-P213 HydrophobicContact CG-CG 4.18Å; R206-R250 PolarHBondContact N-O 2.94Å; R206-R250 PolarHBondContact O-N 3.34Å; R206-R250 VanDerWaalsContact O-N 3.1Å; R206-Y252 HydrophobicContact CB-CE2 3.83Å; R206-Y252 HydrophobicContact CG-CD2 4.18Å; R206-Y252 HydrophobicContact CG-CE2 3.57Å; R206-Y252 PolarHBondContact NH1-OH 3.5Å |
| 207 | R | 95.5 | Very high | 95.6 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 15% | 0.151 | 33% | 0.328 | C | S | . | . | trans | -116.9 | 141 | 179.4 | -85.8 | 164.5 | -174.9 | 147.3 | 7.5 | 110.5 | G209 Q210 D249 | R207-G209 PolarHBondContact O-N 2.9Å; R207-Q210 HydrophobicContact CB-CB 3.97Å; R207-Q210 HydrophobicContact CB-CG 3.87Å; R207-Q210 PolarHBondContact O-N 2.86Å; R207-D249 WeakPolarHBondContact CD-OD1 3.29Å; R207-D249 WeakPolarHBondContact CG-OD1 3.1Å; R207-D249 IonicContact CZ-OD1 3.68Å; R207-D249 IonicContact CZ-OD2 3.65Å; R207-D249 IonicContact NE-OD1 3.25Å; R207-D249 PolarHBondContact NE-OD1 2.02Å; R207-D249 IonicContact NE-OD2 2.76Å; R207-D249 PolarHBondContact NE-OD2 2.91Å; R207-D249 IonicContact NH2-OD1 2.94Å; R207-D249 IonicContact NH2-OD2 3.37Å; R207-D249 PolarHBondContact NH2-OD2 3.38Å | ||
| 208 | V | 90.9 | Very high | 95.8 | Very high | 133 Ų | 133 | 63.3 Ų | 63.3 | 81% | 0.806 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.1 | 171.2 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | Q210 | V208-Q210 VanDerWaalsContact C-N 3.34Å; V208-Q210 PolarHBondContact O-N 2.93Å |
| 209 | G | 89.8 | Confident | 95.9 | Very high | 85 Ų | 85 | 59 Ų | 59 | 88% | 0.876 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -4.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R207 | R207-G209 PolarHBondContact O-N 2.9Š|
| 210 | Q | 92 | Very high | 96 | Very high | 106 Ų | 106 | 64 Ų | 64 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | trans | -106.6 | 118.1 | 174.6 | -62.9 | -170.5 | -11.7 | 0 | 0 | 110.9 | R207 V208 | R207-Q210 HydrophobicContact CB-CB 3.97Å; R207-Q210 HydrophobicContact CB-CG 3.87Å; R207-Q210 PolarHBondContact O-N 2.86Å; V208-Q210 VanDerWaalsContact C-N 3.34Å; V208-Q210 PolarHBondContact O-N 2.93Å | ||
| 211 | S | 89 | Confident | 95.9 | Very high | 124 Ų | 124 | 67.8 Ų | 67.8 | 87% | 0.867 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -76.7 | -23.4 | -177 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 212 | K | 93.4 | Very high | 95.7 | Very high | 169 Ų | 169 | 70.9 Ų | 70.9 | 74% | 0.735 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -103.3 | 128.8 | 175.8 | -66.9 | -175 | 178.5 | -178 | 0 | 109.8 | ||
| 213 | P | 95.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 72.9 Ų | 72.9 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | trans | -62.8 | 152.7 | 167.6 | -17 | 30.2 | 0 | 0 | 0 | 111.4 | F204 V205 R206 | F204-P213 HydrophobicContact CD2-CB 3.77Å; F204-P213 HydrophobicContact CE2-CB 4.3Å; V205-P213 WeakPolarHBondContact O-CA 3.24Å; R206-P213 HydrophobicContact CG-CB 4.11Å; R206-P213 HydrophobicContact CG-CG 4.18Å | ||
| 214 | L | 96.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.7 | 174.8 | 172 | 65.6 | 0 | 0 | 0 | 109.4 | F204 V205 L216 | F204-L214 CarbonylContact C-O 3.58Å; F204-L214 VanDerWaalsContact CA-O 3.3Å; F204-L214 WeakPolarHBondContact CA-O 3.4Å; F204-L214 WeakPolarHBondContact CB-O 3.49Å; V205-L214 HydrophobicContact CG1-CB 3.81Å; V205-L214 HydrophobicContact CG1-CD2 4.16Å; V205-L214 HydrophobicContact CG1-CG 4.26Å; V205-L214 PolarHBondContact N-O 3.32Å; V205-L214 PolarHBondContact O-N 2.84Å; L214-L216 PolarHBondContact O-N 2.91Å |
| 215 | T | 97.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 74.6 Ų | 74.6 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 131.7 | 170.2 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | V202 E218 | V202-T215 HydrophobicContact CG1-CG2 3.83Å; T215-E218 HydrophobicContact CG2-CB 4.28Å |
| 216 | L | 97.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 79 Ų | 79 | 18% | 0.183 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -45.7 | 175.5 | -63 | 175.5 | 0 | 0 | 0 | 111 | M203 V205 L214 L243 V251 | M203-L216 WeakPolarHBondContact O-CB 3.48Å; M203-L216 PolarHBondContact O-N 2.58Å; V205-L216 HydrophobicContact CB-CD1 4.17Å; V205-L216 HydrophobicContact CB-CD2 4.3Å; V205-L216 HydrophobicContact CB-CG 4.31Å; V205-L216 HydrophobicContact CG1-CD2 3.84Å; V205-L216 HydrophobicContact CG1-CG 4.24Å; L214-L216 PolarHBondContact O-N 2.91Å; L216-L243 HydrophobicContact CB-CD1 3.82Å; L216-L243 HydrophobicContact CD1-CD1 4.05Å; L216-L243 HydrophobicContact CD2-CD1 4.33Å; L216-L243 HydrophobicContact CG-CD1 4.29Å; L216-V251 HydrophobicContact CD1-CG1 3.8Å; L216-V251 HydrophobicContact CD1-CG2 4.45Å |
| 217 | M | 98.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 83.1 Ų | 83.1 | 16% | 0.158 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 147.4 | -180 | -66.3 | -176.1 | -80.9 | 0 | 0 | 109.7 | V182 M203 L239 G240 L243 | V182-M217 WeakPolarHBondContact O-CE 3.38Å; M203-M217 HydrophobicContact CB-CB 4.43Å; M203-M217 HydrophobicContact CE-CE 3.88Å; M203-M217 PolarHBondContact N-O 2.86Å; M203-M217 PolarHBondContact O-N 2.94Å; M203-M217 HydrophobicContact SD-CE 3.53Å; M203-M217 VanDerWaalsContact SD-CE 3.53Å; M217-L239 HydrophobicContact CB-CB 4.49Å; M217-L239 HydrophobicContact CB-CD1 4.02Å; M217-L239 HydrophobicContact CB-CD2 4.12Å; M217-L239 HydrophobicContact CB-CG 4.45Å; M217-L239 HydrophobicContact CE-CB 4.38Å; M217-L239 HydrophobicContact SD-CB 4.34Å; M217-G240 VanDerWaalsContact SD-C 3.59Å; M217-L243 HydrophobicContact CE-CD1 4.03Å |
| 218 | E | 98.2 | Very high | 90.5 | Very high | 103 Ų | 103 | 88.7 Ų | 88.7 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 139.4 | 175.6 | 172.7 | 155.9 | -145.4 | 0 | 0 | 110.3 | N200 H201 V202 T215 | N200-E218 PolarHBondContact ND2-OE1 2.94Å; H201-E218 WeakPolarHBondContact O-CA 3.45Å; V202-E218 HydrophobicContact CG1-CB 4.36Å; V202-E218 HydrophobicContact CG2-CB 4.35Å; V202-E218 HydrophobicContact CG2-CG 3.91Å; V202-E218 VanDerWaalsContact CG2-OE1 3.32Å; V202-E218 WeakPolarHBondContact CG2-OE1 3.21Å; T215-E218 HydrophobicContact CG2-CB 4.28Å |
| 219 | A | 98.2 | Very high | 89.3 | Confident | 20 Ų | 20 | 86.8 Ų | 86.8 | 17% | 0.165 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | N200 H201 S237 L239 | N200-A219 WeakPolarHBondContact CA-O 3.38Å; H201-A219 PolarHBondContact N-O 3.13Å; H201-A219 PolarHBondContact O-N 3.43Å; A219-S237 WeakPolarHBondContact CB-OG 3.33Å; A219-L239 HydrophobicContact CB-CD2 3.82Å; A219-L239 HydrophobicContact CB-CG 4.29Å |
| 220 | H | 97.8 | Very high | 88.3 | Confident | 103 Ų | 103 | 87.4 Ų | 87.4 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.5 | 163.5 | 179.1 | 77 | 0 | 0 | 0 | 109.4 | W198 N200 S222 | W198-H220 AromaticContact CE3-CE1 3.88Å; W198-H220 AromaticContact CE3-ND1 3.93Å; N200-H220 PolarHBondContact OD1-ND1 2.83Å; H220-S222 PolarHBondContact CD2-OG 2.79Å; H220-S222 WeakPolarHBondContact NE2-CB 3.31Å; H220-S222 PolarHBondContact NE2-OG 2.86Å |
| 221 | R | 96 | Very high | 87.6 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 44% | 0.442 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.4 | 177 | -61.1 | -72.6 | -89.8 | 163.7 | -5.9 | 108.3 | W198 F199 F224 E236 | W198-R221 CarbonylContact C-O 3.42Å; W198-R221 WeakPolarHBondContact CA-O 3.32Å; W198-R221 WeakPolarHBondContact CB-O 3.44Å; F199-R221 HydrophobicContact CD1-CB 3.87Å; F199-R221 HydrophobicContact CE1-CB 3.56Å; F199-R221 HydrophobicContact CE1-CG 4.06Å; F199-R221 HydrophobicContact CE2-CB 4.31Å; F199-R221 HydrophobicContact CE2-CG 4.08Å; F199-R221 HydrophobicContact CG-CB 4.37Å; F199-R221 HydrophobicContact CZ-CB 3.81Å; F199-R221 HydrophobicContact CZ-CG 3.76Å; F199-R221 PolarHBondContact N-O 2.92Å; F199-R221 PolarHBondContact O-N 3.2Å; R221-F224 HydrophobicContact CB-CD1 4.42Å; R221-F224 HydrophobicContact CB-CE1 4.31Å; R221-E236 VanDerWaalsContact CZ-O 3.31Å; R221-E236 PolarHBondContact NE-O 2.92Å; R221-E236 PolarHBondContact NH2-O 3.13Å |
| 222 | S | 94.1 | Very high | 87.4 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 172.1 | 179.7 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | H220 F224 | H220-S222 PolarHBondContact CD2-OG 2.79Å; H220-S222 WeakPolarHBondContact NE2-CB 3.31Å; H220-S222 PolarHBondContact NE2-OG 2.86Å; S222-F224 PolarHBondContact O-N 2.84Å; S222-F224 VanDerWaalsContact O-N 3.12Å |
| 223 | G | 89.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 62% | 0.619 | 43% | 0.43 | S | S | * | . | trans | 68.1 | 9.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 224 | F | 88.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | trans | -78 | -20.7 | -178.8 | 48.3 | -102.9 | 0 | 0 | 0 | 113.8 | F190 F199 R221 S222 V226 W233 A235 | F190-F224 AromaticContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CE2 3.81Å; F190-F224 HydrophobicContact CD2-CZ 4.03Å; F190-F224 HydrophobicContact CE1-CZ 4.23Å; F190-F224 AromaticContact CE2-CE2 3.87Å; F190-F224 HydrophobicContact CE2-CE2 3.87Å; F190-F224 AromaticContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CE2-CZ 3.59Å; F190-F224 HydrophobicContact CG-CE2 4.2Å; F190-F224 HydrophobicContact CZ-CE2 4.3Å; F190-F224 AromaticContact CZ-CZ 3.71Å; F190-F224 HydrophobicContact CZ-CZ 3.71Å; F199-F224 AromaticContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CE1 3.89Å; F199-F224 HydrophobicContact CD1-CZ 4.11Å; F199-F224 HydrophobicContact CE1-CE1 4.02Å; F199-F224 HydrophobicContact CE1-CZ 4.4Å; R221-F224 HydrophobicContact CB-CD1 4.42Å; R221-F224 HydrophobicContact CB-CE1 4.31Å; S222-F224 PolarHBondContact O-N 2.84Å; S222-F224 VanDerWaalsContact O-N 3.12Å; F224-V226 PolarHBondContact O-N 2.86Å; F224-W233 AromaticContact CD2-CD1 3.61Å; F224-W233 HydrophobicContact CD2-CG 4.46Å; F224-W233 AromaticContact CD2-NE1 3.83Å; F224-W233 WeakPolarHBondContact O-CZ2 3.23Å; F224-A235 HydrophobicContact CD1-CB 4.13Å; F224-A235 HydrophobicContact CD2-CB 3.81Å; F224-A235 HydrophobicContact CE1-CB 4.28Å; F224-A235 HydrophobicContact CE2-CB 3.97Å; F224-A235 HydrophobicContact CG-CB 3.9Å; F224-A235 HydrophobicContact CZ-CB 4.21Å | ||
| 225 | C | 86.7 | Confident | 87 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 8% | 0.081 | 41% | 0.414 | C | S | . | . | trans | -74.8 | 110.7 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | C193 H194 | C193-C225 VanDerWaalsContact C-SG 3.59Å; C193-C225 VanDerWaalsContact CA-SG 3.52Å; C193-C225 HydrophobicContact CB-CB 3.75Å; C193-C225 WeakPolarHBondContact CB-SG 3.33Å; C193-C225 VanDerWaalsContact SG-CA 3.6Å; C193-C225 WeakPolarHBondContact SG-CB 3.45Å; C193-C225 CovalentContact SG-SG 2.02Å; C193-C225 PolarHBondContact SG-SG 2.95Å; H194-C225 PolarHBondContact N-SG 3.15Å; H194-C225 VanDerWaalsContact N-SG 3.35Å; H194-C225 WeakPolarHBondContact O-CB 3.23Å; H194-C225 PolarHBondContact O-SG 2.88Å | ||
| 226 | V | 76.6 | Confident | 86.9 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 58% | 0.582 | 41% | 0.41 | S | S | * | . | trans | -63.4 | 155.6 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 110 | F224 K228 W233 | F224-V226 PolarHBondContact O-N 2.86Å; V226-K228 PolarHBondContact O-N 2.71Å; V226-W233 HydrophobicContact CB-CH2 4.5Å; V226-W233 HydrophobicContact CB-CZ3 4.16Å; V226-W233 HydrophobicContact CG2-CH2 3.64Å; V226-W233 HydrophobicContact CG2-CZ3 3.78Å | ||
| 227 | Q | 67.3 | Low | 86.9 | Confident | 184 Ų | 184 | 74.7 Ų | 74.7 | 86% | 0.86 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.3 | 25.2 | -172.9 | -59.5 | -173 | 1.7 | 0 | 0 | 116.8 | P229 | Q227-P229 WeakPolarHBondContact O-CD 3.5Š|
| 228 | K | 66.6 | Low | 86.9 | Confident | 157 Ų | 157 | 79.2 Ų | 79.2 | 68% | 0.683 | 42% | 0.419 | S | S | * | . | trans | -95.7 | 100.7 | 163.3 | -70.6 | -175.3 | 178 | -178.6 | 0 | 107.8 | V226 S231 | V226-K228 PolarHBondContact O-N 2.71Å; K228-S231 PolarHBondContact O-OG 2.92Å | ||
| 229 | P | 65.3 | Low | 86.9 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 149.6 | -178.7 | -16.6 | 31.5 | 0 | 0 | 0 | 110.4 | Q227 S231 | Q227-P229 WeakPolarHBondContact O-CD 3.5Å; P229-S231 PolarHBondContact O-N 3.37Å; P229-S231 VanDerWaalsContact O-N 3.1Å |
| 230 | N | 69.1 | Low | 86.9 | Confident | 98 Ų | 98 | 75.9 Ų | 75.9 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 13.2 | 170.3 | -44.2 | -28 | 0 | 0 | 0 | 115.5 | H194 | H194-N230 PolarHBondContact CE1-OD1 3.44Š|
| 231 | S | 77.6 | Confident | 86.9 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | trans | -79.8 | 143 | 162 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | K228 P229 | K228-S231 PolarHBondContact O-OG 2.92Å; P229-S231 PolarHBondContact O-N 3.37Å; P229-S231 VanDerWaalsContact O-N 3.1Å | ||
| 232 | P | 84.6 | Confident | 87 | Confident | 96 Ų | 96 | 68.7 Ų | 68.7 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | trans | -64.4 | 142.9 | 171.7 | 28.7 | -34.9 | 0 | 0 | 0 | 110.4 | F190 K191 | F190-P232 CarbonylContact O-C 3.58Å; F190-P232 VanDerWaalsContact O-CA 3.31Å; F190-P232 WeakPolarHBondContact O-CA 3.26Å; K191-P232 WeakPolarHBondContact O-CA 3.4Å | ||
| 233 | W | 90.6 | Very high | 87.2 | Confident | 85 Ų | 85 | 67.4 Ų | 67.4 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134 | -177.8 | -171.7 | -82.3 | 0 | 0 | 0 | 111.7 | F190 C193 F224 V226 | F190-W233 PolarHBondContact N-O 3.19Å; F190-W233 PolarHBondContact O-N 2.89Å; C193-W233 HydrophobicContact CB-CB 3.74Å; C193-W233 WeakPolarHBondContact SG-CB 3.45Å; C193-W233 VanDerWaalsContact SG-CG 3.59Å; F224-W233 AromaticContact CD2-CD1 3.61Å; F224-W233 HydrophobicContact CD2-CG 4.46Å; F224-W233 AromaticContact CD2-NE1 3.83Å; F224-W233 WeakPolarHBondContact O-CZ2 3.23Å; V226-W233 HydrophobicContact CB-CH2 4.5Å; V226-W233 HydrophobicContact CB-CZ3 4.16Å; V226-W233 HydrophobicContact CG2-CH2 3.64Å; V226-W233 HydrophobicContact CG2-CZ3 3.78Å |
| 234 | T | 92.7 | Very high | 87.6 | Confident | 77 Ų | 77 | 70 Ų | 70 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.6 | 174.3 | -53 | 0 | 0 | 0 | 0 | 109.8 | E187 L188 | E187-T234 HydrophobicContact CG-CG2 3.52Å; L188-T234 CarbonylContact O-C 3.47Å; L188-T234 WeakPolarHBondContact O-CA 3.28Å |
| 235 | A | 93.8 | Very high | 88 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L188 F190 F199 F224 | L188-A235 PolarHBondContact N-O 2.89Å; L188-A235 PolarHBondContact O-N 2.81Å; F190-A235 HydrophobicContact CE2-CB 4.4Å; F199-A235 HydrophobicContact CE1-CB 3.81Å; F224-A235 HydrophobicContact CD1-CB 4.13Å; F224-A235 HydrophobicContact CD2-CB 3.81Å; F224-A235 HydrophobicContact CE1-CB 4.28Å; F224-A235 HydrophobicContact CE2-CB 3.97Å; F224-A235 HydrophobicContact CG-CB 3.9Å; F224-A235 HydrophobicContact CZ-CB 4.21Å |
| 236 | E | 95.1 | Very high | 88.5 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 161.3 | -177.7 | 64.8 | 169.9 | 176.6 | 0 | 0 | 113.4 | R185 V186 R221 | R185-E236 IonicContact CZ-OE2 2.79Å; R185-E236 VanDerWaalsContact CZ-OE2 3.25Å; R185-E236 IonicContact NE-OE2 3.49Å; R185-E236 PolarHBondContact NE-OE2 3.05Å; R185-E236 IonicContact NH2-OE2 2.7Å; R185-E236 PolarHBondContact NH2-OE2 2.88Å; V186-E236 CarbonylContact O-C 3.57Å; V186-E236 VanDerWaalsContact O-CA 3.24Å; V186-E236 WeakPolarHBondContact O-CA 3.39Å; V186-E236 WeakPolarHBondContact O-CB 3.49Å; R221-E236 VanDerWaalsContact CZ-O 3.31Å; R221-E236 PolarHBondContact NE-O 2.92Å; R221-E236 PolarHBondContact NH2-O 3.13Å |
| 237 | S | 97.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 4% | 0.035 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.2 | 169.3 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | R185 V186 H201 A219 | R185-S237 WeakPolarHBondContact CA-O 3.28Å; V186-S237 PolarHBondContact N-O 2.83Å; V186-S237 PolarHBondContact O-N 2.7Å; H201-S237 PolarHBondContact ND1-OG 2.92Å; A219-S237 WeakPolarHBondContact CB-OG 3.33Å |
| 238 | Y | 98.1 | Very high | 90.9 | Very high | 127 Ų | 127 | 69.5 Ų | 69.5 | 50% | 0.498 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.7 | 166.5 | -174.8 | -88 | 0 | 0 | 0 | 109 | Y183 S184 R185 F269 | Y183-Y238 WeakPolarHBondContact CB-OH 3.25Å; S184-Y238 CarbonylContact O-C 3.5Å; S184-Y238 WeakPolarHBondContact O-CA 3.46Å; R185-Y238 HydrophobicContact CB-CD2 4.07Å; Y238-F269 HydrophobicContact CE2-CE2 4.15Å; Y238-F269 HydrophobicContact CE2-CZ 4.49Å |
| 239 | L | 98.6 | Very high | 92.4 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.3 | 169.4 | -73.9 | 177.7 | 0 | 0 | 0 | 108.2 | Y183 S184 M203 M217 A219 | Y183-L239 CarbonylContact C-O 3.58Å; Y183-L239 WeakPolarHBondContact CA-O 3.21Å; S184-L239 PolarHBondContact N-O 2.9Å; S184-L239 PolarHBondContact O-N 3.21Å; M203-L239 HydrophobicContact CG-CB 4.4Å; M203-L239 HydrophobicContact CG-CD1 3.92Å; M203-L239 HydrophobicContact SD-CB 3.49Å; M203-L239 WeakPolarHBondContact SD-CB 3.24Å; M203-L239 HydrophobicContact SD-CD1 4.11Å; M203-L239 HydrophobicContact SD-CG 4.46Å; M217-L239 HydrophobicContact CB-CB 4.49Å; M217-L239 HydrophobicContact CB-CD1 4.02Å; M217-L239 HydrophobicContact CB-CD2 4.12Å; M217-L239 HydrophobicContact CB-CG 4.45Å; M217-L239 HydrophobicContact CE-CB 4.38Å; M217-L239 HydrophobicContact SD-CB 4.34Å; A219-L239 HydrophobicContact CB-CD2 3.82Å; A219-L239 HydrophobicContact CB-CG 4.29Å |
| 240 | G | 98.3 | Very high | 94 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 133.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V182 M217 | V182-G240 WeakPolarHBondContact O-CA 3.45Å; M217-G240 VanDerWaalsContact SD-C 3.59Å |
| 241 | G | 97.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 154.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | H181 V182 | H181-G241 WeakPolarHBondContact CA-O 3.31Å; V182-G241 PolarHBondContact N-O 2.87Å; V182-G241 PolarHBondContact O-N 2.87Å |
| 242 | G | 98.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 54.1 Ų | 54.1 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y180 | Y180-G242 CarbonylContact O-C 3.55Å; Y180-G242 WeakPolarHBondContact O-CA 3.22Å |
| 243 | L | 97.4 | Very high | 96.9 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.3 | -171.5 | -65.9 | 171.3 | 0 | 0 | 0 | 111.2 | Y180 V182 L216 M217 L245 | Y180-L243 PolarHBondContact N-O 2.93Å; Y180-L243 PolarHBondContact O-N 2.95Å; V182-L243 HydrophobicContact CB-CD1 4.21Å; V182-L243 HydrophobicContact CG2-CB 4.25Å; V182-L243 HydrophobicContact CG2-CD1 4.1Å; L216-L243 HydrophobicContact CB-CD1 3.82Å; L216-L243 HydrophobicContact CD1-CD1 4.05Å; L216-L243 HydrophobicContact CD2-CD1 4.33Å; L216-L243 HydrophobicContact CG-CD1 4.29Å; M217-L243 HydrophobicContact CE-CD1 4.03Å; L243-L245 PolarHBondContact O-N 3.18Å |
| 244 | Q | 97.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 54% | 0.537 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 112.2 | 173.6 | -179.1 | 63.5 | 55.1 | 0 | 0 | 109.7 | G178 | G178-Q244 VanDerWaalsContact C-NE2 3.32Å; G178-Q244 PolarHBondContact O-NE2 2.89Å |
| 245 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 151.2 | 171.4 | -57.1 | -178.8 | 0 | 0 | 0 | 110.6 | V174 S177 G178 Y180 V182 L243 D249 V251 L272 | V174-L245 HydrophobicContact CG1-CD1 3.92Å; V174-L245 HydrophobicContact CG2-CB 3.98Å; V174-L245 HydrophobicContact CG2-CD1 4.26Å; S177-L245 WeakPolarHBondContact CA-O 3.44Å; G178-L245 PolarHBondContact N-O 3Å; G178-L245 PolarHBondContact O-N 3.4Å; Y180-L245 HydrophobicContact CD1-CD1 4.5Å; Y180-L245 HydrophobicContact CD2-CB 3.73Å; Y180-L245 HydrophobicContact CD2-CD1 3.79Å; Y180-L245 HydrophobicContact CD2-CG 3.9Å; Y180-L245 HydrophobicContact CE2-CB 4.05Å; Y180-L245 HydrophobicContact CE2-CD1 4.42Å; Y180-L245 HydrophobicContact CG-CD1 3.84Å; Y180-L245 HydrophobicContact CG-CG 4.33Å; V182-L245 HydrophobicContact CG2-CD1 4.18Å; L243-L245 PolarHBondContact O-N 3.18Å; L245-D249 WeakPolarHBondContact CA-OD2 3.42Å; L245-D249 HydrophobicContact CB-CB 4.4Å; L245-V251 HydrophobicContact CD1-CG2 3.84Å; L245-V251 HydrophobicContact CD2-CG2 4Å; L245-L272 HydrophobicContact CD1-CD2 4.43Å |
| 246 | M | 97.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 49% | 0.488 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -102.9 | 151.7 | 174.8 | -57.1 | -177.8 | -180 | 0 | 0 | 110.1 | V174 F248 D249 | V174-M246 WeakPolarHBondContact CG2-O 2.99Å; M246-F248 PolarHBondContact O-N 2.81Å; M246-D249 PolarHBondContact N-OD2 2.87Å; M246-D249 WeakPolarHBondContact O-CB 3.37Å; M246-D249 VanDerWaalsContact O-CG 3.29Å; M246-D249 PolarHBondContact O-N 3.35Å |
| 247 | K | 97.3 | Very high | 97.2 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 50% | 0.496 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128.2 | 171.2 | 175.8 | 161.6 | -175.8 | 166.3 | 0 | 111.2 | N175 S177 | N175-K247 WeakPolarHBondContact O-CD 3.37Å; N175-K247 WeakPolarHBondContact O-CE 3.4Å; N175-K247 WeakPolarHBondContact O-CG 3.38Å; S177-K247 PolarHBondContact OG-N 2.97Å |
| 248 | F | 97.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 44 Ų | 44 | 44% | 0.443 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.5 | -173.5 | -46 | -51.9 | 0 | 0 | 0 | 116.6 | V174 M246 R250 | V174-F248 WeakPolarHBondContact O-CA 3.25Å; V174-F248 PolarHBondContact O-N 2.9Å; M246-F248 PolarHBondContact O-N 2.81Å; F248-R250 PolarHBondContact O-N 3Å |
| 249 | D | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | trans | -57.9 | 126.3 | 164.4 | -83.7 | -2.4 | 0 | 0 | 0 | 110.1 | Q173 V174 V205 R207 L245 M246 | Q173-D249 WeakPolarHBondContact CA-O 3.26Å; V174-D249 HydrophobicContact CG2-CB 3.98Å; V174-D249 PolarHBondContact N-O 2.86Å; V174-D249 VanDerWaalsContact N-O 3.12Å; V205-D249 HydrophobicContact CG2-CB 3.58Å; R207-D249 WeakPolarHBondContact CD-OD1 3.29Å; R207-D249 WeakPolarHBondContact CG-OD1 3.1Å; R207-D249 IonicContact CZ-OD1 3.68Å; R207-D249 IonicContact CZ-OD2 3.65Å; R207-D249 IonicContact NE-OD1 3.25Å; R207-D249 PolarHBondContact NE-OD1 2.02Å; R207-D249 IonicContact NE-OD2 2.76Å; R207-D249 PolarHBondContact NE-OD2 2.91Å; R207-D249 IonicContact NH2-OD1 2.94Å; R207-D249 IonicContact NH2-OD2 3.37Å; R207-D249 PolarHBondContact NH2-OD2 3.38Å; L245-D249 WeakPolarHBondContact CA-OD2 3.42Å; L245-D249 HydrophobicContact CB-CB 4.4Å; M246-D249 PolarHBondContact N-OD2 2.87Å; M246-D249 WeakPolarHBondContact O-CB 3.37Å; M246-D249 VanDerWaalsContact O-CG 3.29Å; M246-D249 PolarHBondContact O-N 3.35Å | ||
| 250 | R | 98 | Very high | 96.2 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.4 | 170.2 | -73.1 | -171 | 178.5 | -144.8 | -2.1 | 109.1 | E168 D169 A171 Q173 V205 R206 F248 Y252 | E168-R250 IonicContact OE1-CZ 3.66Å; E168-R250 IonicContact OE1-NH1 2.82Å; E168-R250 PolarHBondContact OE1-NH1 2.86Å; E168-R250 IonicContact OE1-NH2 3.15Å; E168-R250 PolarHBondContact OE1-NH2 2.87Å; D169-R250 IonicContact OD1-NH1 3.38Å; D169-R250 PolarHBondContact OD1-NH1 3.32Å; D169-R250 IonicContact OD2-CZ 3.48Å; D169-R250 IonicContact OD2-NH1 2.79Å; D169-R250 PolarHBondContact OD2-NH1 2.97Å; A171-R250 HydrophobicContact CB-CB 3.87Å; A171-R250 HydrophobicContact CB-CG 4.16Å; Q173-R250 HydrophobicContact CB-CG 4.12Å; Q173-R250 HydrophobicContact CG-CG 3.94Å; V205-R250 CarbonylContact C-O 3.56Å; V205-R250 VanDerWaalsContact CA-O 3.3Å; V205-R250 WeakPolarHBondContact CA-O 3.23Å; V205-R250 WeakPolarHBondContact CG2-O 3.06Å; R206-R250 PolarHBondContact N-O 2.94Å; R206-R250 PolarHBondContact O-N 3.34Å; R206-R250 VanDerWaalsContact O-N 3.1Å; F248-R250 PolarHBondContact O-N 3Å; R250-Y252 HydrophobicContact CB-CD2 4.44Å; R250-Y252 HydrophobicContact CB-CE2 3.55Å; R250-Y252 WeakPolarHBondContact CD-OH 3.33Å; R250-Y252 VanDerWaalsContact O-CD2 3.25Å; R250-Y252 WeakPolarHBondContact O-CD2 3.38Å; R250-Y252 VanDerWaalsContact O-CE2 3.23Å; R250-Y252 WeakPolarHBondContact O-CE2 3.1Å |
| 251 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137 | 179.1 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | A171 L172 V182 F204 V205 L216 L245 F270 L272 | A171-V251 WeakPolarHBondContact CA-O 3.48Å; L172-V251 PolarHBondContact N-O 3.46Å; L172-V251 PolarHBondContact O-N 2.85Å; V182-V251 HydrophobicContact CG1-CG1 4.02Å; F204-V251 WeakPolarHBondContact O-CA 3.34Å; V205-V251 HydrophobicContact CG2-CG2 4.36Å; L216-V251 HydrophobicContact CD1-CG1 3.8Å; L216-V251 HydrophobicContact CD1-CG2 4.45Å; L245-V251 HydrophobicContact CD1-CG2 3.84Å; L245-V251 HydrophobicContact CD2-CG2 4Å; V251-F270 HydrophobicContact CB-CZ 4.05Å; V251-F270 HydrophobicContact CG1-CE2 4.09Å; V251-F270 HydrophobicContact CG1-CZ 3.81Å; V251-L272 HydrophobicContact CB-CD2 4.45Å; V251-L272 HydrophobicContact CG2-CD2 4.4Å |
| 252 | Y | 97.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 164.7 | -173.6 | -58.5 | -97.3 | 0 | 0 | 0 | 111.3 | T147 D169 A171 M203 F204 R206 R250 | T147-Y252 HydrophobicContact CG2-CD1 3.74Å; T147-Y252 HydrophobicContact CG2-CG 4.34Å; D169-Y252 HydrophobicContact CB-CE1 4.06Å; D169-Y252 WeakPolarHBondContact OD2-CE1 3.5Å; D169-Y252 PolarHBondContact OD2-OH 2.9Å; A171-Y252 HydrophobicContact CB-CD1 3.94Å; A171-Y252 HydrophobicContact CB-CE1 3.54Å; A171-Y252 HydrophobicContact CB-CE2 4.19Å; A171-Y252 HydrophobicContact CB-CG 4.45Å; M203-Y252 WeakPolarHBondContact CA-O 3.09Å; F204-Y252 AromaticContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CD2 3.98Å; F204-Y252 HydrophobicContact CD2-CG 4.38Å; F204-Y252 VanDerWaalsContact CE1-CB 3.49Å; F204-Y252 HydrophobicContact CE1-CG 4.39Å; F204-Y252 AromaticContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CD2 3.52Å; F204-Y252 HydrophobicContact CE2-CE2 4.28Å; F204-Y252 AromaticContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CE2-CG 3.67Å; F204-Y252 HydrophobicContact CZ-CD1 4.37Å; F204-Y252 HydrophobicContact CZ-CD2 4.06Å; F204-Y252 AromaticContact CZ-CG 3.7Å; F204-Y252 HydrophobicContact CZ-CG 3.7Å; F204-Y252 PolarHBondContact N-O 2.87Å; F204-Y252 PolarHBondContact O-N 3.4Å; R206-Y252 HydrophobicContact CB-CE2 3.83Å; R206-Y252 HydrophobicContact CG-CD2 4.18Å; R206-Y252 HydrophobicContact CG-CE2 3.57Å; R206-Y252 PolarHBondContact NH1-OH 3.5Å; R250-Y252 HydrophobicContact CB-CD2 4.44Å; R250-Y252 HydrophobicContact CB-CE2 3.55Å; R250-Y252 WeakPolarHBondContact CD-OH 3.33Å; R250-Y252 VanDerWaalsContact O-CD2 3.25Å; R250-Y252 WeakPolarHBondContact O-CD2 3.38Å; R250-Y252 VanDerWaalsContact O-CE2 3.23Å; R250-Y252 WeakPolarHBondContact O-CE2 3.1Å |
| 253 | V | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.5 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | T147 L148 W150 V202 M203 F270 | T147-V253 WeakPolarHBondContact CA-O 3.34Å; L148-V253 HydrophobicContact CD1-CG1 4.16Å; L148-V253 PolarHBondContact N-O 3.1Å; W150-V253 HydrophobicContact CZ2-CB 3.83Å; W150-V253 HydrophobicContact CZ2-CG1 4.14Å; W150-V253 HydrophobicContact CZ2-CG2 3.87Å; V202-V253 CarbonylContact O-C 3.56Å; V202-V253 WeakPolarHBondContact O-CA 3.47Å; M203-V253 HydrophobicContact CG-CG2 4.31Å; V253-F270 HydrophobicContact CG2-CB 3.99Å; V253-F270 HydrophobicContact CG2-CD1 3.93Å; V253-F270 HydrophobicContact CG2-CD2 3.51Å; V253-F270 HydrophobicContact CG2-CE1 4.26Å; V253-F270 HydrophobicContact CG2-CE2 3.92Å; V253-F270 HydrophobicContact CG2-CG 3.54Å; V253-F270 HydrophobicContact CG2-CZ 4.28Å |
| 254 | N | 95.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 23% | 0.225 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 142.9 | 169.6 | -95.6 | 5.7 | 0 | 0 | 0 | 110 | M146 T147 V202 F204 | M146-N254 VanDerWaalsContact O-CA 3.3Å; M146-N254 WeakPolarHBondContact O-CA 3.26Å; M146-N254 PolarHBondContact O-OD1 2.85Å; T147-N254 WeakPolarHBondContact CA-OD1 3.31Å; T147-N254 WeakPolarHBondContact CB-OD1 3.13Å; T147-N254 PolarHBondContact N-OD1 2.93Å; T147-N254 PolarHBondContact OG1-OD1 3.35Å; V202-N254 HydrophobicContact CB-CB 4.18Å; V202-N254 PolarHBondContact N-O 3.28Å; V202-N254 PolarHBondContact O-N 3.22Å; F204-N254 HydrophobicContact CD1-CB 4.35Å; F204-N254 HydrophobicContact CE1-CB 3.93Å; F204-N254 WeakPolarHBondContact CE1-OD1 3.3Å |
| 255 | V | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.1 | 163.7 | 164.8 | 0 | 0 | 0 | 0 | 109.2 | M146 L148 V186 L188 H201 H257 P258 L261 | M146-V255 PolarHBondContact O-N 3.05Å; L148-V255 HydrophobicContact CD1-CB 4.32Å; L148-V255 HydrophobicContact CD1-CG2 3.87Å; L148-V255 HydrophobicContact CD2-CB 4.29Å; V186-V255 HydrophobicContact CB-CG2 4.21Å; V186-V255 HydrophobicContact CG1-CG2 3.89Å; V186-V255 HydrophobicContact CG2-CG2 3.97Å; L188-V255 HydrophobicContact CD1-CG1 4.22Å; L188-V255 HydrophobicContact CD2-CG1 3.95Å; H201-V255 HydrophobicContact CB-CG2 4.45Å; V255-H257 VanDerWaalsContact C-N 3.32Å; V255-H257 PolarHBondContact O-N 3.12Å; V255-P258 WeakPolarHBondContact O-CD 3.46Å; V255-L261 HydrophobicContact CG1-CD2 4.48Å |
| 256 | S | 94.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -61.9 | -32.8 | 179.3 | 51 | 0 | 0 | 0 | 0 | 114.7 | F199 N200 P258 | F199-S256 VanDerWaalsContact CA-OG 3.23Å; F199-S256 WeakPolarHBondContact CA-OG 3.25Å; F199-S256 VanDerWaalsContact CB-OG 3.31Å; F199-S256 WeakPolarHBondContact CB-OG 3.32Å; N200-S256 PolarHBondContact N-OG 2.88Å; N200-S256 PolarHBondContact O-N 3.22Å; N200-S256 PolarHBondContact O-OG 3.42Å; S256-P258 WeakPolarHBondContact O-CD 3.36Å |
| 257 | H | 92.8 | Very high | 91.8 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.222 | 25% | 0.247 | C | C | . | . | trans | -124.3 | 66.9 | -178.3 | -63.6 | 85.9 | 0 | 0 | 0 | 110.8 | L188 W198 V255 T259 Y260 | L188-H257 HydrophobicContact CD2-CB 4.01Å; W198-H257 PolarHBondContact O-CE1 3.31Å; W198-H257 PolarHBondContact O-ND1 2.92Å; V255-H257 VanDerWaalsContact C-N 3.32Å; V255-H257 PolarHBondContact O-N 3.12Å; H257-T259 PolarHBondContact O-N 3.02Å; H257-T259 VanDerWaalsContact O-N 3.14Å; H257-Y260 HydrophobicContact CB-CD2 3.74Å; H257-Y260 HydrophobicContact CB-CE2 4.28Å; H257-Y260 HydrophobicContact CB-CG 4.37Å; H257-Y260 AromaticContact CD2-CE2 3.74Å; H257-Y260 PolarHBondContact O-N 3.34Å; H257-Y260 VanDerWaalsContact O-N 3.14Å | ||
| 258 | P | 90.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -64 | -21.8 | -177 | 30 | -36 | 0 | 0 | 0 | 112 | L148 V255 S256 Y260 L261 | L148-P258 HydrophobicContact CD2-CB 4.13Å; V255-P258 WeakPolarHBondContact O-CD 3.46Å; S256-P258 WeakPolarHBondContact O-CD 3.36Å; P258-Y260 PolarHBondContact O-N 3.33Å; P258-L261 HydrophobicContact CB-CD1 4.29Å; P258-L261 PolarHBondContact O-N 2.97Å |
| 259 | T | 90 | Very high | 91.7 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 42% | 0.423 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -66 | -15.2 | 177.1 | 73.9 | 0 | 0 | 0 | 0 | 114.2 | Y141 H257 | Y141-T259 HydrophobicContact CE2-CG2 3.96Å; Y141-T259 WeakPolarHBondContact OH-CG2 3.28Å; H257-T259 PolarHBondContact O-N 3.02Å; H257-T259 VanDerWaalsContact O-N 3.14Å |
| 260 | Y | 91.6 | Very high | 91.7 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -108.6 | 3.4 | 179.7 | -60 | -24.7 | 0 | 0 | 0 | 112.9 | L188 I189 F190 H257 P258 S262 | L188-Y260 CarbonylContact C-O 3.47Å; L188-Y260 VanDerWaalsContact CA-O 3.27Å; L188-Y260 WeakPolarHBondContact CA-O 3.14Å; I189-Y260 PolarHBondContact N-O 2.96Å; F190-Y260 AromaticContact CD1-CD2 3.66Å; F190-Y260 HydrophobicContact CD1-CD2 3.66Å; F190-Y260 AromaticContact CD1-CE2 3.77Å; F190-Y260 HydrophobicContact CD1-CE2 3.77Å; F190-Y260 AromaticContact CE1-CD2 3.57Å; F190-Y260 HydrophobicContact CE1-CD2 3.57Å; F190-Y260 AromaticContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CE1-CE2 3.8Å; F190-Y260 HydrophobicContact CG-CD2 4.28Å; F190-Y260 HydrophobicContact CZ-CD2 4.13Å; H257-Y260 HydrophobicContact CB-CD2 3.74Å; H257-Y260 HydrophobicContact CB-CE2 4.28Å; H257-Y260 HydrophobicContact CB-CG 4.37Å; H257-Y260 AromaticContact CD2-CE2 3.74Å; H257-Y260 PolarHBondContact O-N 3.34Å; H257-Y260 VanDerWaalsContact O-N 3.14Å; P258-Y260 PolarHBondContact O-N 3.33Å; Y260-S262 PolarHBondContact O-N 3.47Å |
| 261 | L | 91.9 | Very high | 91.7 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 137.3 | 178.7 | -72.5 | 167.4 | 0 | 0 | 0 | 111.3 | L148 V186 L188 V255 P258 H263 N268 | L148-L261 HydrophobicContact CD1-CD1 3.89Å; L148-L261 HydrophobicContact CD1-CD2 4.48Å; L148-L261 HydrophobicContact CD2-CD1 3.55Å; L148-L261 HydrophobicContact CG-CD1 4.37Å; V186-L261 HydrophobicContact CB-CD2 4.15Å; V186-L261 HydrophobicContact CG1-CD2 4.46Å; L188-L261 HydrophobicContact CD1-CD2 3.78Å; L188-L261 HydrophobicContact CG-CD2 4.14Å; V255-L261 HydrophobicContact CG1-CD2 4.48Å; P258-L261 HydrophobicContact CB-CD1 4.29Å; P258-L261 PolarHBondContact O-N 2.97Å; L261-H263 PolarHBondContact O-CD2 3.2Å; L261-N268 WeakPolarHBondContact CD2-OD1 3.36Å |
| 262 | S | 90.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | trans | -63.4 | 133.2 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | E187 Y260 S264 N268 | E187-S262 WeakPolarHBondContact O-CB 3.43Å; E187-S262 PolarHBondContact O-N 2.74Å; E187-S262 WeakPolarHBondContact OE1-CB 3.49Å; E187-S262 PolarHBondContact OE1-OG 2.93Å; Y260-S262 PolarHBondContact O-N 3.47Å; S262-S264 PolarHBondContact O-N 3.37Å; S262-S264 VanDerWaalsContact OG-CB 3.25Å; S262-S264 WeakPolarHBondContact OG-CB 3.36Å; S262-S264 PolarHBondContact OG-N 3.28Å; S262-N268 PolarHBondContact O-ND2 3.45Å | ||
| 263 | H | 84.8 | Confident | 91.8 | Very high | 129 Ų | 129 | 45.5 Ų | 45.5 | 60% | 0.597 | 22% | 0.22 | S | C | * | . | trans | -80 | 9 | 173.1 | -71.3 | -119 | 0 | 0 | 0 | 112.3 | T139 L261 H265 | T139-H263 HydrophobicContact CG2-CB 4.49Å; T139-H263 VanDerWaalsContact CG2-ND1 3.34Å; T139-H263 WeakPolarHBondContact CG2-ND1 3.34Å; L261-H263 PolarHBondContact O-CD2 3.2Å; H263-H265 PolarHBondContact O-N 2.94Å | ||
| 264 | S | 82.1 | Confident | 91.8 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | trans | -64.4 | 118.9 | 172.1 | 179 | 0 | 0 | 0 | 0 | 111 | S262 Y266 G267 | S262-S264 PolarHBondContact O-N 3.37Å; S262-S264 VanDerWaalsContact OG-CB 3.25Å; S262-S264 WeakPolarHBondContact OG-CB 3.36Å; S262-S264 PolarHBondContact OG-N 3.28Å; S264-Y266 PolarHBondContact O-N 3.24Å; S264-G267 PolarHBondContact O-N 2.94Å; S264-G267 PolarHBondContact OG-N 3.5Å | ||
| 265 | H | 70.1 | Confident | 91.8 | Very high | 121 Ų | 121 | 53.1 Ų | 53.1 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -22.9 | -178.4 | -70.4 | -71.5 | 0 | 0 | 0 | 115 | H263 | H263-H265 PolarHBondContact O-N 2.94Š|
| 266 | Y | 84.8 | Confident | 91.6 | Very high | 141 Ų | 141 | 55.7 Ų | 55.7 | 55% | 0.553 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 2.7 | -179.1 | -50.7 | -69.8 | 0 | 0 | 0 | 113.4 | L136 S264 | L136-Y266 HydrophobicContact CD1-CD1 4.49Å; L136-Y266 HydrophobicContact CD1-CE1 4.28Å; L136-Y266 HydrophobicContact CD2-CD1 4.37Å; S264-Y266 PolarHBondContact O-N 3.24Å |
| 267 | G | 89.5 | Confident | 91.4 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -29.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | S264 | S264-G267 PolarHBondContact O-N 2.94Å; S264-G267 PolarHBondContact OG-N 3.5Å |
| 268 | N | 95.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | trans | -123.2 | 130.4 | -177.4 | -61.6 | -80.5 | 0 | 0 | 0 | 110.5 | G137 W150 R185 V186 E187 L261 S262 | G137-N268 PolarHBondContact N-O 3.14Å; W150-N268 HydrophobicContact CZ3-CB 4.17Å; R185-N268 WeakPolarHBondContact O-CA 3.26Å; V186-N268 WeakPolarHBondContact CA-OD1 3.34Å; E187-N268 PolarHBondContact N-OD1 2.94Å; L261-N268 WeakPolarHBondContact CD2-OD1 3.36Å; S262-N268 PolarHBondContact O-ND2 3.45Å | ||
| 269 | F | 96.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 159 | 173.7 | 53.7 | -104 | 0 | 0 | 0 | 113 | H134 V135 L136 W150 Y183 S184 R185 Y238 | H134-F269 AromaticContact CE1-CD2 3.84Å; H134-F269 AromaticContact CE1-CG 3.74Å; V135-F269 WeakPolarHBondContact O-CA 3.33Å; L136-F269 HydrophobicContact CD2-CB 4.18Å; W150-F269 VanDerWaalsContact CZ3-C 3.5Å; W150-F269 VanDerWaalsContact CZ3-CA 3.48Å; Y183-F269 HydrophobicContact CD2-CD2 4.13Å; Y183-F269 HydrophobicContact CD2-CE2 4.01Å; Y183-F269 AromaticContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CD2 3.96Å; Y183-F269 HydrophobicContact CE2-CE2 4.08Å; S184-F269 CarbonylContact C-O 3.54Å; S184-F269 VanDerWaalsContact CA-O 3.24Å; S184-F269 WeakPolarHBondContact CA-O 3.49Å; S184-F269 PolarHBondContact OG-O 2.94Å; R185-F269 HydrophobicContact CB-CD1 4.11Å; R185-F269 HydrophobicContact CB-CD2 3.98Å; R185-F269 HydrophobicContact CB-CE1 3.75Å; R185-F269 HydrophobicContact CB-CE2 3.59Å; R185-F269 HydrophobicContact CB-CG 4.23Å; R185-F269 HydrophobicContact CB-CZ 3.47Å; R185-F269 VanDerWaalsContact CB-CZ 3.47Å; R185-F269 HydrophobicContact CG-CE1 4.3Å; R185-F269 HydrophobicContact CG-CZ 4.24Å; R185-F269 PolarHBondContact N-O 3.36Å; R185-F269 PolarHBondContact O-N 2.86Å; Y238-F269 HydrophobicContact CE2-CE2 4.15Å; Y238-F269 HydrophobicContact CE2-CZ 4.49Å |
| 270 | F | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.4 | 176.2 | 166.8 | -135.7 | 0 | 0 | 0 | 108.9 | V135 W150 L172 V182 Y183 M203 V251 V253 | V135-F270 HydrophobicContact CG2-CB 3.98Å; V135-F270 HydrophobicContact CG2-CD1 3.89Å; V135-F270 HydrophobicContact CG2-CG 4.3Å; V135-F270 VanDerWaalsContact CG2-O 3.32Å; V135-F270 WeakPolarHBondContact CG2-O 3.4Å; V135-F270 PolarHBondContact N-O 2.94Å; V135-F270 PolarHBondContact O-N 2.9Å; W150-F270 AromaticContact CD1-CD1 3.9Å; W150-F270 HydrophobicContact CD2-CB 3.87Å; W150-F270 HydrophobicContact CE3-CB 4.14Å; W150-F270 HydrophobicContact CG-CD1 4.47Å; W150-F270 HydrophobicContact CH2-CB 3.89Å; W150-F270 HydrophobicContact CZ2-CB 3.57Å; W150-F270 HydrophobicContact CZ2-CG 4.36Å; W150-F270 HydrophobicContact CZ3-CB 4.17Å; W150-F270 AromaticContact NE1-CD1 3.59Å; L172-F270 HydrophobicContact CB-CE1 3.9Å; L172-F270 HydrophobicContact CB-CZ 4.03Å; L172-F270 HydrophobicContact CD1-CD1 3.83Å; L172-F270 HydrophobicContact CD1-CE1 3.56Å; L172-F270 HydrophobicContact CD1-CE2 4.24Å; L172-F270 HydrophobicContact CD1-CG 4.3Å; L172-F270 HydrophobicContact CD1-CZ 3.77Å; L172-F270 HydrophobicContact CG-CD1 4.07Å; L172-F270 HydrophobicContact CG-CE1 3.55Å; L172-F270 HydrophobicContact CG-CZ 4.04Å; V182-F270 HydrophobicContact CG1-CE2 4.19Å; Y183-F270 WeakPolarHBondContact O-CD2 3.5Å; M203-F270 HydrophobicContact CE-CD2 4.08Å; M203-F270 HydrophobicContact CE-CE2 3.87Å; V251-F270 HydrophobicContact CB-CZ 4.05Å; V251-F270 HydrophobicContact CG1-CE2 4.09Å; V251-F270 HydrophobicContact CG1-CZ 3.81Å; V253-F270 HydrophobicContact CG2-CB 3.99Å; V253-F270 HydrophobicContact CG2-CD1 3.93Å; V253-F270 HydrophobicContact CG2-CD2 3.51Å; V253-F270 HydrophobicContact CG2-CE1 4.26Å; V253-F270 HydrophobicContact CG2-CE2 3.92Å; V253-F270 HydrophobicContact CG2-CG 3.54Å; V253-F270 HydrophobicContact CG2-CZ 4.28Å |
| 271 | G | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 170.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A133 Y183 | A133-G271 CarbonylContact O-C 3.33Å; A133-G271 WeakPolarHBondContact O-CA 3.2Å; Y183-G271 WeakPolarHBondContact CD1-O 3.28Å; Y183-G271 PolarHBondContact N-O 3.1Å; Y183-G271 PolarHBondContact O-N 3.39Å; Y183-G271 VanDerWaalsContact O-O 3.11Å |
| 272 | L | 98.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 153 | 172.3 | 59.2 | 90.6 | 0 | 0 | 0 | 110.9 | A132 A133 V163 L172 V174 Y180 H181 V182 L245 V251 | A132-L272 CarbonylContact C-O 3.54Å; A132-L272 VanDerWaalsContact CA-O 3.29Å; A132-L272 WeakPolarHBondContact CA-O 3.33Å; A133-L272 PolarHBondContact N-O 3.26Å; A133-L272 PolarHBondContact O-N 2.9Å; V163-L272 HydrophobicContact CB-CD1 4.5Å; V163-L272 HydrophobicContact CG1-CD1 3.9Å; V163-L272 HydrophobicContact CG2-CD1 3.72Å; L172-L272 HydrophobicContact CB-CD2 3.83Å; L172-L272 HydrophobicContact CD1-CD2 4.07Å; L172-L272 HydrophobicContact CD1-CG 4.13Å; V174-L272 HydrophobicContact CG1-CD1 3.76Å; V174-L272 HydrophobicContact CG1-CD2 4.29Å; Y180-L272 HydrophobicContact CD1-CD1 3.54Å; Y180-L272 HydrophobicContact CE1-CD1 3.8Å; H181-L272 CarbonylContact O-C 3.49Å; H181-L272 WeakPolarHBondContact O-CA 3.36Å; H181-L272 WeakPolarHBondContact O-CB 3.34Å; V182-L272 HydrophobicContact CB-CB 4.27Å; V182-L272 HydrophobicContact CG1-CB 4.04Å; V182-L272 HydrophobicContact CG1-CD2 4.41Å; V182-L272 HydrophobicContact CG2-CB 4.17Å; L245-L272 HydrophobicContact CD1-CD2 4.43Å; V251-L272 HydrophobicContact CB-CD2 4.45Å; V251-L272 HydrophobicContact CG2-CD2 4.4Å |
| 273 | Y | 98.4 | Very high | 91.5 | Very high | 108 Ų | 108 | 62 Ų | 62 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.2 | 168.1 | 62.9 | -94.3 | 0 | 0 | 0 | 110.5 | P131 Y180 H181 Y183 I275 | P131-Y273 CarbonylContact O-C 3.5Å; P131-Y273 WeakPolarHBondContact O-CA 3.28Å; Y180-Y273 CarbonylContact C-O 3.53Å; Y180-Y273 VanDerWaalsContact CA-O 3.25Å; Y180-Y273 WeakPolarHBondContact CA-O 3.36Å; Y180-Y273 VanDerWaalsContact CD1-C 3.49Å; H181-Y273 HydrophobicContact CB-CD1 4.2Å; H181-Y273 HydrophobicContact CB-CD2 4.31Å; H181-Y273 HydrophobicContact CB-CE1 3.68Å; H181-Y273 HydrophobicContact CB-CE2 3.79Å; H181-Y273 HydrophobicContact CB-CG 4.49Å; H181-Y273 VanDerWaalsContact CB-CZ 3.44Å; H181-Y273 AromaticContact CD2-CE1 3.73Å; H181-Y273 AromaticContact CG-CE1 3.99Å; H181-Y273 AromaticContact CG-CZ 3.91Å; H181-Y273 PolarHBondContact N-O 2.94Å; H181-Y273 PolarHBondContact O-N 3.4Å; Y183-Y273 HydrophobicContact CE1-CD1 4.32Å; Y273-I275 HydrophobicContact CE2-CG1 4.14Å |
| 274 | K | 97.6 | Very high | 92 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.6 | 174.7 | -172.7 | 164.3 | 173.8 | 169.8 | 0 | 110.2 | P131 E176 S177 Y180 | P131-K274 HydrophobicContact CB-CB 4.01Å; P131-K274 HydrophobicContact CG-CB 4.16Å; P131-K274 HydrophobicContact CG-CD 4.23Å; P131-K274 PolarHBondContact O-N 3.13Å; E176-K274 HydrophobicContact CG-CD 4.39Å; E176-K274 WeakPolarHBondContact OE1-CD 3.42Å; E176-K274 WeakPolarHBondContact OE1-CE 3.27Å; E176-K274 IonicContact OE1-NZ 3.04Å; E176-K274 PolarHBondContact OE1-NZ 3.09Å; S177-K274 PolarHBondContact O-NZ 3.41Å; Y180-K274 HydrophobicContact CD1-CB 3.91Å; Y180-K274 HydrophobicContact CE1-CB 3.63Å; Y180-K274 HydrophobicContact CE1-CG 4.38Å; Y180-K274 HydrophobicContact CE2-CD 4.45Å |
| 275 | I | 95.5 | Very high | 92.9 | Very high | 137 Ų | 137 | 56.5 Ų | 56.5 | 70% | 0.703 | 25% | 0.25 | S | S | * | . | trans | -87.9 | 0 | 173.6 | -63.8 | 167.1 | 0 | 0 | 0 | 108.8 | L179 H181 Y273 | L179-I275 HydrophobicContact CD2-CB 4.33Å; L179-I275 HydrophobicContact CD2-CD1 4.04Å; L179-I275 HydrophobicContact CD2-CG2 4.35Å; L179-I275 HydrophobicContact CG-CB 4.45Å; L179-I275 HydrophobicContact CG-CD1 4.06Å; L179-I275 PolarHBondContact O-N 3.46Å; H181-I275 HydrophobicContact CB-CD1 4.1Å; H181-I275 HydrophobicContact CB-CG1 4.38Å; Y273-I275 HydrophobicContact CE2-CG1 4.14Å |
Retrieved 275 of 275 residues in 133.5 ms
(Link to these results)