| 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 | 40.1 | Very low | 43.4 | Very low | 240 Ų | 240 | 169.1 Ų | 169.1 | 100% | 1.182 | 86% | 0.858 | S | S | * | * | 0 | 74 | 0 | -61.1 | -75.4 | -179 | 0 | 0 | 107.3 | |||||
| 2 | A | 38.6 | Very low | 43.6 | Very low | 88 Ų | 88 | 168.2 Ų | 168.2 | 73% | 0.727 | 86% | 0.856 | S | S | * | * | 73.5 | 88.2 | 112.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 3 | T | 47.1 | Very low | 42.9 | Very low | 124 Ų | 124 | 164.8 Ų | 164.8 | 76% | 0.761 | 86% | 0.855 | S | S | * | * | 49.5 | 120.3 | 94.9 | 61 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 4 | C | 42.3 | Very low | 42.5 | Very low | 138 Ų | 138 | 159.9 Ų | 159.9 | 93% | 0.932 | 84% | 0.842 | S | S | * | * | trans | -148.1 | 103.7 | 141.3 | -97.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | I | 49.3 | Very low | 42.5 | Very low | 144 Ų | 144 | 156.8 Ų | 156.8 | 74% | 0.738 | 84% | 0.838 | S | S | * | * | trans | -87.7 | 131.3 | 165.3 | -67.4 | 163.2 | 0 | 0 | 0 | 106.4 | ||||
| 6 | I | 46.8 | Very low | 42.2 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 86% | 0.862 | 83% | 0.831 | S | S | * | * | trans | -138 | 121.4 | 150.4 | -64.9 | -174.2 | 0 | 0 | 0 | 109.9 | ||||
| 7 | R | 47.2 | Very low | 42.2 | Very low | 217 Ų | 217 | 151.3 Ų | 151.3 | 82% | 0.819 | 83% | 0.83 | S | S | * | * | trans | -75.2 | 148.3 | 170.9 | -75.4 | 164.9 | 156.2 | 175.3 | -6.1 | 111.2 | ||||
| 8 | R | 43.5 | Very low | 42.2 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -154.4 | 93.4 | 142.5 | -122.9 | 177.4 | -179.4 | -164.2 | -0.2 | 107.3 | ||||
| 9 | L | 39.2 | Very low | 42.4 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | 63.1 | 117 | 93.4 | -81.5 | 170.9 | 0 | 0 | 0 | 114 | |||||
| 10 | Y | 45.6 | Very low | 42.2 | Very low | 230 Ų | 230 | 148.4 Ų | 148.4 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -67.4 | 150.5 | 178.3 | -71.7 | -100 | 0 | 0 | 0 | 112.8 | ||||
| 11 | S | 37.9 | Very low | 42.5 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -154.2 | 109.8 | 148.2 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | L | 45.1 | Very low | 42.9 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | 11.2 | 125.4 | 142.1 | -64.1 | 156.5 | 0 | 0 | 0 | 119.5 | ||||
| 13 | C | 34.8 | Very low | 43.1 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -165.2 | 97.2 | 138.1 | -140.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 14 | S | 37.9 | Very low | 43.1 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | 59.8 | 100.9 | 94.4 | -60.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 15 | S | 41.8 | Very low | 42.7 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 40.8 | 106.7 | 136.9 | 55.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 16 | S | 38.6 | Very low | 42.4 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -169.1 | 101.8 | 131 | 47 | 0 | 0 | 0 | 0 | 110.2 | V18 | S16-V18 PolarHBondContact O-N 3.24Å; S16-V18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | S | 42.3 | Very low | 42 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -64.9 | 99.6 | 162.4 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 18 | V | 42.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -93.1 | 96.8 | 164.2 | -93.7 | 0 | 0 | 0 | 0 | 108.2 | S16 V20 | S16-V18 PolarHBondContact O-N 3.24Å; S16-V18 VanDerWaalsContact O-N 3.13Å; V18-V20 HydrophobicContact CB-CG2 4.41Å; V18-V20 PolarHBondContact O-N 2.91Å; V18-V20 VanDerWaalsContact O-N 3.13Å | ||
| 19 | N | 45.2 | Very low | 40.8 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 103.2 | 157.3 | -86.1 | -51.3 | 0 | 0 | 0 | 107.5 | S21 | N19-S21 PolarHBondContact O-N 3.4Š| ||
| 20 | V | 38.4 | Very low | 40.6 | Very low | 124 Ų | 124 | 128 Ų | 128 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -95.2 | 87.8 | 167.1 | -174.5 | 0 | 0 | 0 | 0 | 107.1 | V18 P22 | V18-V20 HydrophobicContact CB-CG2 4.41Å; V18-V20 PolarHBondContact O-N 2.91Å; V18-V20 VanDerWaalsContact O-N 3.13Å; V20-P22 WeakPolarHBondContact O-CD 3.45Å | ||
| 21 | S | 47.6 | Very low | 39.9 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.1 | 159.9 | -56.7 | 0 | 0 | 0 | 0 | 107.9 | N19 | N19-S21 PolarHBondContact O-N 3.4Š|
| 22 | P | 49.3 | Very low | 39.8 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 144.1 | 170.5 | 27 | -30.1 | 0 | 0 | 0 | 109.5 | V20 | V20-P22 WeakPolarHBondContact O-CD 3.45Š|
| 23 | P | 43.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 142.7 | -175.5 | 27 | -33.6 | 0 | 0 | 0 | 110.9 | G25 | P23-G25 PolarHBondContact O-N 2.98Š|
| 24 | L | 45.7 | Very low | 39.5 | Very low | 180 Ų | 180 | 125.6 Ų | 125.6 | 94% | 0.942 | 75% | 0.751 | S | S | * | * | trans | -58.7 | 82.8 | 168.5 | -68.2 | 166.6 | 0 | 0 | 0 | 109.4 | N26 | L24-N26 PolarHBondContact O-N 3.43Š| ||
| 25 | G | 34.5 | Very low | 40 | Very low | 61 Ų | 61 | 124.9 Ų | 124.9 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | trans | -79.7 | 105.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | P23 L27 | P23-G25 PolarHBondContact O-N 2.98Å; G25-L27 PolarHBondContact O-N 3.31Å | ||
| 26 | N | 42.4 | Very low | 40.2 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -0.6 | 90.5 | 163.7 | -68.8 | -32.2 | 0 | 0 | 0 | 114 | L24 S28 | L24-N26 PolarHBondContact O-N 3.43Å; N26-S28 PolarHBondContact O-N 2.94Å | ||
| 27 | L | 40 | Very low | 40.5 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | trans | -66.2 | 90.8 | 157.2 | -68.8 | 169.6 | 0 | 0 | 0 | 105.2 | G25 C29 | G25-L27 PolarHBondContact O-N 3.31Å; L27-C29 VanDerWaalsContact C-N 3.34Å; L27-C29 PolarHBondContact O-N 3.43Å | ||
| 28 | S | 33.4 | Very low | 40.6 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | -49.8 | 113.8 | 155.7 | 50.4 | 0 | 0 | 0 | 0 | 105.2 | N26 I30 | N26-S28 PolarHBondContact O-N 2.94Å; S28-I30 PolarHBondContact O-N 3.31Å | ||
| 29 | C | 31.6 | Very low | 40.9 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -59 | 88.3 | 173.7 | 49.3 | 0 | 0 | 0 | 0 | 107.1 | L27 S31 | L27-C29 VanDerWaalsContact C-N 3.34Å; L27-C29 PolarHBondContact O-N 3.43Å; C29-S31 PolarHBondContact O-N 3.44Å | ||
| 30 | I | 34.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 65% | 0.651 | 71% | 0.713 | S | S | * | * | trans | -74.4 | 77.9 | 164.4 | -50.7 | -179.1 | 0 | 0 | 0 | 104.8 | S28 F32 | S28-I30 PolarHBondContact O-N 3.31Å; I30-F32 HydrophobicContact CG2-CD2 3.37Å; I30-F32 HydrophobicContact CG2-CE2 3.62Å; I30-F32 HydrophobicContact CG2-CG 4.5Å; I30-F32 PolarHBondContact O-N 2.99Å | ||
| 31 | S | 31.1 | Very low | 40.6 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | -66 | 82.2 | 165.5 | -169.7 | 0 | 0 | 0 | 0 | 106.6 | C29 K33 | C29-S31 PolarHBondContact O-N 3.44Å; S31-K33 PolarHBondContact O-N 3.37Å | ||
| 32 | F | 35.1 | Very low | 39.9 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 74% | 0.737 | 72% | 0.72 | S | S | * | * | trans | -71.8 | 89.4 | 158.6 | -100.2 | -81.6 | 0 | 0 | 0 | 105.9 | I30 L34 | I30-F32 HydrophobicContact CG2-CD2 3.37Å; I30-F32 HydrophobicContact CG2-CE2 3.62Å; I30-F32 HydrophobicContact CG2-CG 4.5Å; I30-F32 PolarHBondContact O-N 2.99Å; F32-L34 PolarHBondContact O-N 3.2Å | ||
| 33 | K | 34.8 | Very low | 39.5 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -59.8 | 92.9 | 153.4 | -70.7 | -166.5 | 176.9 | -176.1 | 0 | 106.1 | S31 T35 | S31-K33 PolarHBondContact O-N 3.37Å; K33-T35 HydrophobicContact CB-CG2 4.28Å; K33-T35 PolarHBondContact O-N 2.94Å | ||
| 34 | L | 39.5 | Very low | 39.3 | Very low | 143 Ų | 143 | 137 Ų | 137 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -67.7 | 77.1 | 157.7 | -74.4 | 163.8 | 0 | 0 | 0 | 106.1 | F32 N36 | F32-L34 PolarHBondContact O-N 3.2Å; L34-N36 PolarHBondContact O-N 2.92Å | ||
| 35 | T | 47.2 | Very low | 38.9 | Very low | 81 Ų | 81 | 132 Ų | 132 | 50% | 0.497 | 72% | 0.721 | S | S | . | * | trans | -65.3 | 128.5 | 160.8 | 52 | 0 | 0 | 0 | 0 | 106.3 | K33 S37 | K33-T35 HydrophobicContact CB-CG2 4.28Å; K33-T35 PolarHBondContact O-N 2.94Å; T35-S37 PolarHBondContact O-N 3.2Å; T35-S37 PolarHBondContact OG1-OG 2.96Å | ||
| 36 | N | 47.4 | Very low | 39.2 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 11.4 | -179 | -78.1 | -27.4 | 0 | 0 | 0 | 115.8 | L34 | L34-N36 PolarHBondContact O-N 2.92Š|
| 37 | S | 44 | Very low | 39.1 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 50% | 0.503 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -15.2 | -176.8 | 65.1 | 0 | 0 | 0 | 0 | 115 | T35 S40 | T35-S37 PolarHBondContact O-N 3.2Å; T35-S37 PolarHBondContact OG1-OG 2.96Å; S37-S40 PolarHBondContact O-OG 3.28Å |
| 38 | T | 45.2 | Very low | 39 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 63% | 0.626 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -88.5 | -15.1 | 178.8 | 44.7 | 0 | 0 | 0 | 0 | 113.8 | S40 | T38-S40 VanDerWaalsContact C-N 3.34Š|
| 39 | L | 47.3 | Very low | 39.6 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -9.8 | 173 | -76.1 | 171.6 | 0 | 0 | 0 | 113.7 | ||
| 40 | S | 43.3 | Very low | 40.1 | Very low | 85 Ų | 85 | 144 Ų | 144 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -8 | 178.6 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | S37 T38 | S37-S40 PolarHBondContact O-OG 3.28Å; T38-S40 VanDerWaalsContact C-N 3.34Å |
| 41 | K | 35.6 | Very low | 40.6 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 5.1 | -167 | -147.4 | 156.4 | -171.6 | 170 | 0 | 116.1 | ||
| 42 | L | 32.5 | Very low | 41.4 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 9.6 | 173.8 | -78.2 | 173.6 | 0 | 0 | 0 | 114.7 | ||
| 43 | Y | 40.6 | Very low | 42.1 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | -111.8 | 95.1 | 173.1 | -65.4 | -87.8 | 0 | 0 | 0 | 109.1 | G45 | Y43-G45 PolarHBondContact O-N 3.25Š| ||
| 44 | Y | 39.6 | Very low | 42.9 | Very low | 239 Ų | 239 | 141.2 Ų | 141.2 | 94% | 0.937 | 74% | 0.74 | S | S | * | * | trans | -65.4 | 120.1 | 164.4 | -75.1 | -88.3 | 0 | 0 | 0 | 108.5 | ||||
| 45 | G | 37.1 | Very low | 43.7 | Very low | 75 Ų | 75 | 140.1 Ų | 140.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | 130.7 | 98.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y43 | Y43-G45 PolarHBondContact O-N 3.25Š| ||
| 46 | T | 41.6 | Very low | 44.5 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -67.2 | 155 | 173.6 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 47 | R | 38.6 | Very low | 45.8 | Very low | 237 Ų | 237 | 138.3 Ų | 138.3 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | 101.7 | 86.5 | 159.6 | -64.5 | -178.2 | 177.7 | -178.2 | -1.2 | 117 | ||||
| 48 | R | 38.7 | Very low | 47.7 | Very low | 227 Ų | 227 | 141.6 Ų | 141.6 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | -179 | 121.7 | 111.6 | -96.2 | 171.8 | -178.2 | -174.6 | 0.8 | 106.6 | D50 | R48-D50 PolarHBondContact O-N 3.01Š| |||
| 49 | S | 46 | Very low | 49.7 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -71.7 | 76.6 | 161.7 | 51.4 | 0 | 0 | 0 | 0 | 107.2 | S51 | S49-S51 VanDerWaalsContact C-N 3.31Å; S49-S51 PolarHBondContact O-N 3.36Å | ||
| 50 | D | 42.6 | Very low | 51.6 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 68% | 0.677 | S | S | * | * | trans | -75.3 | 98.4 | 156.8 | -100.2 | -25.6 | 0 | 0 | 0 | 105.2 | R48 S52 | R48-D50 PolarHBondContact O-N 3.01Å; D50-S52 PolarHBondContact O-N 3.48Å | ||
| 51 | S | 44.5 | Very low | 53.7 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | trans | -69 | 62.8 | 158.5 | 54 | 0 | 0 | 0 | 0 | 108.1 | S49 E53 | S49-S51 VanDerWaalsContact C-N 3.31Å; S49-S51 PolarHBondContact O-N 3.36Å; S51-E53 PolarHBondContact O-N 3.38Å | ||
| 52 | S | 48.8 | Very low | 56.3 | Low | 73 Ų | 73 | 132.3 Ų | 132.3 | 51% | 0.51 | 68% | 0.676 | S | S | . | * | trans | -72.6 | 110.9 | 152.8 | 49.7 | 0 | 0 | 0 | 0 | 104.4 | D50 D54 | D50-S52 PolarHBondContact O-N 3.48Å; S52-D54 PolarHBondContact O-N 3.2Å | ||
| 53 | E | 49.3 | Very low | 59 | Low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | trans | -63 | 84.4 | 165.9 | -66.7 | -145.5 | 169.8 | 0 | 0 | 107.7 | S51 T55 | S51-E53 PolarHBondContact O-N 3.38Å; E53-T55 PolarHBondContact O-N 3.44Å | ||
| 54 | D | 52 | Low | 61.5 | Low | 128 Ų | 128 | 123.2 Ų | 123.2 | 68% | 0.684 | 63% | 0.63 | S | S | * | * | trans | -51.8 | 116.4 | 162.8 | -71.3 | -25.6 | 0 | 0 | 0 | 104.3 | S52 H56 | S52-D54 PolarHBondContact O-N 3.2Å; D54-H56 PolarHBondContact O-N 3.48Å | ||
| 55 | T | 56.8 | Low | 64.2 | Low | 121 Ų | 121 | 116.2 Ų | 116.2 | 74% | 0.742 | 61% | 0.613 | S | S | * | * | trans | -65.2 | 77.6 | 176.6 | -41 | 0 | 0 | 0 | 0 | 107 | E53 V57 | E53-T55 PolarHBondContact O-N 3.44Å; T55-V57 VanDerWaalsContact C-N 3.3Å; T55-V57 PolarHBondContact O-N 3.02Å | ||
| 56 | H | 62.9 | Low | 67 | Low | 159 Ų | 159 | 115 Ų | 115 | 74% | 0.736 | 59% | 0.59 | S | S | * | * | trans | -77.2 | 91.8 | -173.9 | -169.9 | 82.3 | 0 | 0 | 0 | 105.8 | D54 H58 | D54-H56 PolarHBondContact O-N 3.48Å; H56-H58 PolarHBondContact O-N 2.93Å | ||
| 57 | V | 74.3 | Confident | 69.7 | Low | 33 Ų | 33 | 110.7 Ų | 110.7 | 20% | 0.2 | 57% | 0.566 | C | S | . | * | trans | -62.1 | 107 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 106.7 | T55 I59 W97 V145 | T55-V57 VanDerWaalsContact C-N 3.3Å; T55-V57 PolarHBondContact O-N 3.02Å; V57-I59 HydrophobicContact CG1-CG1 4.16Å; V57-I59 PolarHBondContact O-N 3.49Å; V57-I59 VanDerWaalsContact O-N 3.14Å; V57-W97 HydrophobicContact CG1-CE3 3.98Å; V57-W97 HydrophobicContact CG1-CZ3 3.81Å; V57-V145 HydrophobicContact CB-CG1 4.44Å; V57-V145 HydrophobicContact CG1-CG1 4.08Å; V57-V145 HydrophobicContact CG2-CB 4.47Å; V57-V145 HydrophobicContact CG2-CG1 3.77Å | ||
| 58 | H | 83.7 | Confident | 72.4 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 65% | 0.653 | 54% | 0.541 | S | S | * | . | trans | -71.4 | 106.5 | 175 | 176.8 | -86.7 | 0 | 0 | 0 | 108.7 | H56 P60 | H56-H58 PolarHBondContact O-N 2.93Å; H58-P60 VanDerWaalsContact O-CD 3.32Å; H58-P60 WeakPolarHBondContact O-CD 3.35Å | ||
| 59 | I | 87.4 | Confident | 75.1 | Confident | 20 Ų | 20 | 94.6 Ų | 94.6 | 10% | 0.103 | 51% | 0.511 | C | S | . | . | trans | -93.4 | 110.2 | 179.9 | -59.6 | 166.7 | 0 | 0 | 0 | 108.5 | V57 V61 L64 W97 I138 I141 | V57-I59 HydrophobicContact CG1-CG1 4.16Å; V57-I59 PolarHBondContact O-N 3.49Å; V57-I59 VanDerWaalsContact O-N 3.14Å; I59-V61 PolarHBondContact O-N 3.16Å; I59-L64 HydrophobicContact CG2-CD1 3.8Å; I59-L64 HydrophobicContact CG2-CG 4.47Å; I59-W97 HydrophobicContact CG1-CE3 4.44Å; I59-W97 HydrophobicContact CG1-CH2 4.13Å; I59-W97 HydrophobicContact CG1-CZ3 3.8Å; I59-W97 HydrophobicContact CG2-CH2 4.13Å; I59-W97 HydrophobicContact CG2-CZ2 4.33Å; I59-W97 HydrophobicContact CG2-CZ3 4.46Å; I59-I138 HydrophobicContact CD1-CG2 4.21Å; I59-I141 HydrophobicContact CD1-CB 4.21Å; I59-I141 HydrophobicContact CD1-CG2 3.82Å | ||
| 60 | P | 88.4 | Confident | 77.4 | Confident | 22 Ų | 22 | 94.4 Ų | 94.4 | 14% | 0.143 | 49% | 0.494 | C | S | . | . | trans | -72.5 | 109.9 | 178.3 | 28.9 | -32.9 | 0 | 0 | 0 | 110.3 | H58 E62 R63 W97 | H58-P60 VanDerWaalsContact O-CD 3.32Å; H58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-E62 PolarHBondContact O-N 3.07Å; P60-R63 HydrophobicContact CB-CG 4.37Å; P60-R63 HydrophobicContact CG-CB 4.26Å; P60-R63 HydrophobicContact CG-CG 4.18Å; P60-R63 PolarHBondContact O-N 3.47Å; P60-W97 HydrophobicContact CG-CB 4.29Å; P60-W97 HydrophobicContact CG-CD2 4.46Å; P60-W97 HydrophobicContact CG-CG 3.89Å | ||
| 61 | V | 87.5 | Confident | 79.7 | Confident | 74 Ų | 74 | 89.2 Ų | 89.2 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -60.9 | -29.8 | -178.5 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | I59 R63 L64 I138 | I59-V61 PolarHBondContact O-N 3.16Å; V61-R63 PolarHBondContact O-N 2.64Å; V61-L64 WeakPolarHBondContact O-CB 3.41Å; V61-L64 PolarHBondContact O-N 2.85Å; V61-L64 VanDerWaalsContact O-N 3.13Å; V61-I138 HydrophobicContact CG2-CD1 4.23Å |
| 62 | E | 89.9 | Confident | 81.8 | Confident | 194 Ų | 194 | 88.1 Ų | 88.1 | 91% | 0.907 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.6 | 179.7 | -61.5 | 173.9 | -174.4 | 0 | 0 | 113.9 | P60 L64 | P60-E62 PolarHBondContact O-N 3.07Å; E62-L64 VanDerWaalsContact C-N 3.34Å |
| 63 | R | 89.3 | Confident | 83.6 | Confident | 146 Ų | 146 | 86.2 Ų | 86.2 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -92.2 | 1.3 | 179.3 | -61.5 | -172.9 | -178.7 | 167.3 | -1 | 112.8 | P60 V61 | P60-R63 HydrophobicContact CB-CG 4.37Å; P60-R63 HydrophobicContact CG-CB 4.26Å; P60-R63 HydrophobicContact CG-CG 4.18Å; P60-R63 PolarHBondContact O-N 3.47Å; V61-R63 PolarHBondContact O-N 2.64Å |
| 64 | L | 93.1 | Very high | 85.3 | Confident | 14 Ų | 14 | 83.4 Ų | 83.4 | 7% | 0.073 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -100.2 | 132.9 | 179 | -57.7 | 178.8 | 0 | 0 | 0 | 109.7 | I59 V61 E62 V66 V88 F90 I141 | I59-L64 HydrophobicContact CG2-CD1 3.8Å; I59-L64 HydrophobicContact CG2-CG 4.47Å; V61-L64 WeakPolarHBondContact O-CB 3.41Å; V61-L64 PolarHBondContact O-N 2.85Å; V61-L64 VanDerWaalsContact O-N 3.13Å; E62-L64 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 2.78Å; L64-V88 HydrophobicContact CB-CG1 3.95Å; L64-V88 HydrophobicContact CD1-CG1 3.92Å; L64-V88 HydrophobicContact CD2-CG1 4.32Å; L64-V88 HydrophobicContact CG-CG1 4.3Å; L64-F90 HydrophobicContact CD2-CB 3.76Å; L64-F90 HydrophobicContact CD2-CD1 3.63Å; L64-F90 HydrophobicContact CD2-CE1 4.44Å; L64-F90 HydrophobicContact CD2-CG 3.83Å; L64-I141 HydrophobicContact CD1-CD1 4.49Å |
| 65 | T | 95.6 | Very high | 86.7 | Confident | 93 Ų | 93 | 80.6 Ų | 80.6 | 57% | 0.571 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 113.7 | 170.7 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | V88 R89 | T65-V88 WeakPolarHBondContact O-CA 3.39Å; T65-R89 PolarHBondContact N-O 3.46Å; T65-R89 PolarHBondContact O-N 3.19Å |
| 66 | V | 96.5 | Very high | 88.1 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 29% | 0.291 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.5 | 179 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | L64 Y68 E87 V88 L134 | L64-V66 PolarHBondContact O-N 2.78Å; V66-Y68 HydrophobicContact CG1-CE1 4.3Å; V66-Y68 HydrophobicContact CG1-CE2 3.94Å; V66-E87 CarbonylContact C-O 3.59Å; V66-E87 WeakPolarHBondContact CA-O 3.48Å; V66-V88 HydrophobicContact CG2-CG2 4.31Å; V66-L134 HydrophobicContact CG1-CD1 3.8Å; V66-L134 HydrophobicContact CG2-CD1 3.88Å |
| 67 | S | 96.8 | Very high | 89.2 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.2 | 172.8 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | E87 | S67-E87 PolarHBondContact N-O 3.24Å; S67-E87 PolarHBondContact O-N 3.06Å |
| 68 | Y | 96.5 | Very high | 89.8 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136 | 177.3 | -61 | -79 | 0 | 0 | 0 | 110.7 | V66 K85 A86 Q130 | V66-Y68 HydrophobicContact CG1-CE1 4.3Å; V66-Y68 HydrophobicContact CG1-CE2 3.94Å; Y68-K85 CarbonylContact C-O 3.6Å; Y68-K85 VanDerWaalsContact CA-O 3.28Å; Y68-K85 WeakPolarHBondContact CA-O 3.49Å; Y68-A86 HydrophobicContact CD1-CB 4.08Å; Y68-A86 HydrophobicContact CE1-CB 3.89Å; Y68-Q130 HydrophobicContact CD1-CB 4.15Å; Y68-Q130 HydrophobicContact CD1-CG 3.99Å; Y68-Q130 HydrophobicContact CE1-CB 3.83Å; Y68-Q130 HydrophobicContact CE1-CG 4.19Å |
| 69 | S | 95.4 | Very high | 90.1 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 22% | 0.224 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 170.1 | 179.9 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | S83 T84 K85 E87 | S69-S83 CarbonylContact O-C 3.14Å; S69-S83 WeakPolarHBondContact O-CA 3.32Å; S69-T84 PolarHBondContact O-N 3.48Å; S69-K85 PolarHBondContact N-O 2.9Å; S69-K85 WeakPolarHBondContact O-CB 3.41Å; S69-K85 PolarHBondContact O-N 3.41Å; S69-K85 WeakPolarHBondContact OG-CD 3.28Å; S69-E87 PolarHBondContact OG-OE1 2.97Å |
| 70 | K | 93.8 | Very high | 90.1 | Very high | 118 Ų | 118 | 77.7 Ų | 77.7 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | trans | -74 | 144.9 | 173.7 | -63.5 | -176.3 | -175.5 | -177.3 | 0 | 109.5 | N80 | K70-N80 WeakPolarHBondContact CD-O 3.28Å; K70-N80 WeakPolarHBondContact CE-O 3.04Å; K70-N80 PolarHBondContact NZ-O 3.23Å | ||
| 71 | S | 90.3 | Very high | 90.1 | Very high | 20 Ų | 20 | 84.4 Ų | 84.4 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | trans | -70.4 | 151.7 | 177.7 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | G73 V79 T84 E125 | S71-G73 VanDerWaalsContact C-N 3.35Å; S71-V79 WeakPolarHBondContact O-CG1 3.37Å; S71-T84 PolarHBondContact OG-OG1 2.99Å; S71-E125 WeakPolarHBondContact CA-OE2 3.37Å; S71-E125 VanDerWaalsContact CB-OE2 3.24Å; S71-E125 WeakPolarHBondContact CB-OE2 3.38Å | ||
| 72 | S | 89.2 | Confident | 90.4 | Very high | 91 Ų | 91 | 83.5 Ų | 83.5 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | trans | -86.6 | 2 | -178.1 | 21.1 | 0 | 0 | 0 | 0 | 115 | E125 | S72-E125 PolarHBondContact N-OE2 2.89Å; S72-E125 PolarHBondContact OG-OE1 3.48Å; S72-E125 PolarHBondContact OG-OE2 3.07Å | ||
| 73 | G | 86.3 | Confident | 90.5 | Very high | 33 Ų | 33 | 76.4 Ų | 76.4 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -65.7 | 168.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S71 G75 | S71-G73 VanDerWaalsContact C-N 3.35Å; G73-G75 PolarHBondContact O-N 3.25Å |
| 74 | P | 84.8 | Confident | 90.8 | Very high | 127 Ų | 127 | 69.6 Ų | 69.6 | 83% | 0.825 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -55.2 | 134.9 | 177 | 24.1 | -33 | 0 | 0 | 0 | 110.3 | ||
| 75 | G | 82.3 | Confident | 90.9 | Very high | 69 Ų | 69 | 70.7 Ų | 70.7 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 147 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G73 | G73-G75 PolarHBondContact O-N 3.25Š|
| 76 | G | 86.4 | Confident | 91 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | trans | -178.6 | 168.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H78 V79 N80 | G76-H78 VanDerWaalsContact C-N 3.27Å; G76-H78 PolarHBondContact O-N 3.2Å; G76-V79 PolarHBondContact O-N 2.97Å; G76-N80 PolarHBondContact O-N 3.49Å | ||
| 77 | Q | 86.7 | Confident | 91.1 | Very high | 170 Ų | 170 | 65.8 Ų | 65.8 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.3 | -41.5 | -177.5 | -171.1 | -176.6 | 34.5 | 0 | 0 | 112 | K81 | Q77-K81 WeakPolarHBondContact O-CB 3.49Å; Q77-K81 PolarHBondContact O-N 3.43Å |
| 78 | H | 85.3 | Confident | 91.1 | Very high | 81 Ų | 81 | 63.7 Ų | 63.7 | 38% | 0.375 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.4 | -47.2 | -179.9 | -174.3 | -86.8 | 0 | 0 | 0 | 112.3 | G76 N80 K81 V82 T84 | G76-H78 VanDerWaalsContact C-N 3.27Å; G76-H78 PolarHBondContact O-N 3.2Å; H78-N80 VanDerWaalsContact C-N 3.34Å; H78-N80 PolarHBondContact O-N 2.81Å; H78-K81 PolarHBondContact O-N 3.3Å; H78-V82 PolarHBondContact O-N 3.5Å; H78-T84 VanDerWaalsContact CE1-CG2 3.44Å; H78-T84 WeakPolarHBondContact CE1-CG2 3.45Å |
| 79 | V | 89.7 | Confident | 91 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | S71 G76 | S71-V79 WeakPolarHBondContact O-CG1 3.37Å; G76-V79 PolarHBondContact O-N 2.97Å |
| 80 | N | 89.3 | Confident | 91 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -80.1 | -24.8 | -175.5 | -69.8 | -18.6 | 0 | 0 | 0 | 113.6 | K70 G76 H78 | K70-N80 WeakPolarHBondContact CD-O 3.28Å; K70-N80 WeakPolarHBondContact CE-O 3.04Å; K70-N80 PolarHBondContact NZ-O 3.23Å; G76-N80 PolarHBondContact O-N 3.49Å; H78-N80 VanDerWaalsContact C-N 3.34Å; H78-N80 PolarHBondContact O-N 2.81Å |
| 81 | K | 88.1 | Confident | 91.1 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -101.5 | -35.7 | -171.5 | -168.2 | 176.2 | 179.8 | -179.2 | 0 | 113.3 | Q77 H78 | Q77-K81 WeakPolarHBondContact O-CB 3.49Å; Q77-K81 PolarHBondContact O-N 3.43Å; H78-K81 PolarHBondContact O-N 3.3Å |
| 82 | V | 92.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | trans | -111.7 | 125.3 | -168.7 | -164.8 | 0 | 0 | 0 | 0 | 110.6 | H78 T84 | H78-V82 PolarHBondContact O-N 3.5Å; V82-T84 VanDerWaalsContact C-N 3.29Å; V82-T84 HydrophobicContact CB-CG2 3.88Å; V82-T84 HydrophobicContact CG1-CG2 3.43Å; V82-T84 VanDerWaalsContact CG1-CG2 3.43Å; V82-T84 PolarHBondContact O-N 3.16Å | ||
| 83 | S | 94 | Very high | 91.4 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | trans | -77.7 | 77.4 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | S69 Q130 | S69-S83 CarbonylContact O-C 3.14Å; S69-S83 WeakPolarHBondContact O-CA 3.32Å; S83-Q130 WeakPolarHBondContact O-CG 3.3Å; S83-Q130 PolarHBondContact O-NE2 3.07Å | ||
| 84 | T | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | trans | -93.2 | -20.4 | -175.2 | 51 | 0 | 0 | 0 | 0 | 114.7 | S69 S71 H78 V82 A86 R128 N133 | S69-T84 PolarHBondContact O-N 3.48Å; S71-T84 PolarHBondContact OG-OG1 2.99Å; H78-T84 VanDerWaalsContact CE1-CG2 3.44Å; H78-T84 WeakPolarHBondContact CE1-CG2 3.45Å; V82-T84 VanDerWaalsContact C-N 3.29Å; V82-T84 HydrophobicContact CB-CG2 3.88Å; V82-T84 HydrophobicContact CG1-CG2 3.43Å; V82-T84 VanDerWaalsContact CG1-CG2 3.43Å; V82-T84 PolarHBondContact O-N 3.16Å; T84-A86 PolarHBondContact O-N 3.26Å; T84-R128 VanDerWaalsContact CG2-O 3.27Å; T84-R128 WeakPolarHBondContact CG2-O 3.28Å; T84-N133 PolarHBondContact O-ND2 3.05Å | ||
| 85 | K | 96 | Very high | 92.1 | Very high | 38 Ų | 38 | 56 Ų | 56 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.4 | 176.9 | 179 | 176.3 | 178.1 | -143 | 0 | 108.9 | Y68 S69 E87 S124 E125 | Y68-K85 CarbonylContact C-O 3.6Å; Y68-K85 VanDerWaalsContact CA-O 3.28Å; Y68-K85 WeakPolarHBondContact CA-O 3.49Å; S69-K85 PolarHBondContact N-O 2.9Å; S69-K85 WeakPolarHBondContact O-CB 3.41Å; S69-K85 PolarHBondContact O-N 3.41Å; S69-K85 WeakPolarHBondContact OG-CD 3.28Å; K85-E87 VanDerWaalsContact CE-OE1 3.31Å; K85-E87 WeakPolarHBondContact CE-OE1 3.32Å; K85-E87 HydrophobicContact CG-CG 4.34Å; K85-E87 IonicContact NZ-OE1 2.75Å; K85-E87 PolarHBondContact NZ-OE1 2.98Å; K85-S124 WeakPolarHBondContact CA-O 3.49Å; K85-E125 HydrophobicContact CB-CB 4.09Å; K85-E125 HydrophobicContact CG-CB 4.08Å |
| 86 | A | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y68 T84 T123 S124 N133 | Y68-A86 HydrophobicContact CD1-CB 4.08Å; Y68-A86 HydrophobicContact CE1-CB 3.89Å; T84-A86 PolarHBondContact O-N 3.26Å; A86-T123 CarbonylContact O-C 3.59Å; A86-T123 VanDerWaalsContact O-CA 3.3Å; A86-T123 WeakPolarHBondContact O-CA 3.35Å; A86-S124 PolarHBondContact N-O 3.14Å; A86-S124 PolarHBondContact O-N 3.37Å; A86-N133 HydrophobicContact CB-CB 3.79Å |
| 87 | E | 96.9 | Very high | 92.6 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.2 | 175.8 | -51.3 | -172.5 | 170.6 | 0 | 0 | 108.1 | V66 S67 S69 K85 L121 T123 | V66-E87 CarbonylContact C-O 3.59Å; V66-E87 WeakPolarHBondContact CA-O 3.48Å; S67-E87 PolarHBondContact N-O 3.24Å; S67-E87 PolarHBondContact O-N 3.06Å; S69-E87 PolarHBondContact OG-OE1 2.97Å; K85-E87 VanDerWaalsContact CE-OE1 3.31Å; K85-E87 WeakPolarHBondContact CE-OE1 3.32Å; K85-E87 HydrophobicContact CG-CG 4.34Å; K85-E87 IonicContact NZ-OE1 2.75Å; K85-E87 PolarHBondContact NZ-OE1 2.98Å; E87-L121 HydrophobicContact CB-CD1 4.36Å; E87-T123 HydrophobicContact CB-CG2 3.95Å; E87-T123 HydrophobicContact CG-CG2 3.62Å |
| 88 | V | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.8 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L64 T65 V66 V122 L134 C137 I141 | L64-V88 HydrophobicContact CB-CG1 3.95Å; L64-V88 HydrophobicContact CD1-CG1 3.92Å; L64-V88 HydrophobicContact CD2-CG1 4.32Å; L64-V88 HydrophobicContact CG-CG1 4.3Å; T65-V88 WeakPolarHBondContact O-CA 3.39Å; V66-V88 HydrophobicContact CG2-CG2 4.31Å; V88-V122 PolarHBondContact N-O 3.39Å; V88-V122 PolarHBondContact O-N 3.06Å; V88-L134 HydrophobicContact CG2-CD1 3.76Å; V88-C137 HydrophobicContact CB-CB 4.25Å; V88-C137 HydrophobicContact CG2-CB 3.55Å; V88-I141 HydrophobicContact CB-CD1 4.28Å; V88-I141 HydrophobicContact CG1-CD1 3.68Å |
| 89 | R | 95.7 | Very high | 93.1 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.9 | -177.4 | -64.5 | 172.7 | 70 | 161.7 | -2.2 | 110.2 | T65 N115 E119 L120 L121 | T65-R89 PolarHBondContact N-O 3.46Å; T65-R89 PolarHBondContact O-N 3.19Å; R89-N115 PolarHBondContact NH2-ND2 3.38Å; R89-E119 IonicContact CZ-OE2 2.67Å; R89-E119 VanDerWaalsContact CZ-OE2 3.3Å; R89-E119 IonicContact NE-OE2 2.85Å; R89-E119 PolarHBondContact NE-OE2 3.39Å; R89-E119 VanDerWaalsContact NE-OE2 3.14Å; R89-E119 IonicContact NH2-OE2 3.14Å; R89-E119 PolarHBondContact NH2-OE2 3.04Å; R89-L120 WeakPolarHBondContact CA-O 3.27Å; R89-L121 HydrophobicContact CG-CD1 3.35Å |
| 90 | F | 95.6 | Very high | 93.2 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.5 | 168.1 | 68.9 | -84.8 | 0 | 0 | 0 | 110.5 | L64 V92 A95 W97 I98 E119 L120 I141 | L64-F90 HydrophobicContact CD2-CB 3.76Å; L64-F90 HydrophobicContact CD2-CD1 3.63Å; L64-F90 HydrophobicContact CD2-CE1 4.44Å; L64-F90 HydrophobicContact CD2-CG 3.83Å; F90-V92 HydrophobicContact CE2-CG2 4.28Å; F90-V92 PolarHBondContact O-N 3.46Å; F90-A95 HydrophobicContact CD2-CB 4.2Å; F90-A95 HydrophobicContact CE2-CB 4.26Å; F90-W97 HydrophobicContact CD2-CZ2 4.2Å; F90-W97 HydrophobicContact CE1-CZ2 4.49Å; F90-W97 HydrophobicContact CE2-CH2 4.39Å; F90-W97 AromaticContact CE2-CZ2 3.84Å; F90-W97 HydrophobicContact CE2-CZ2 3.84Å; F90-W97 HydrophobicContact CZ-CH2 4.19Å; F90-W97 HydrophobicContact CZ-CZ2 4Å; F90-I98 HydrophobicContact CE2-CD1 4.02Å; F90-I98 HydrophobicContact CZ-CD1 4.39Å; F90-E119 CarbonylContact O-C 3.6Å; F90-E119 VanDerWaalsContact O-CA 3.3Å; F90-E119 WeakPolarHBondContact O-CA 3.27Å; F90-L120 HydrophobicContact CE1-CB 4.3Å; F90-L120 HydrophobicContact CE1-CD2 3.91Å; F90-L120 HydrophobicContact CZ-CB 4.38Å; F90-L120 HydrophobicContact CZ-CD2 3.86Å; F90-L120 PolarHBondContact N-O 3.5Å; F90-L120 PolarHBondContact O-N 3.08Å; F90-I141 HydrophobicContact CE1-CD1 4.17Å; F90-I141 HydrophobicContact CE1-CG1 4.37Å; F90-I141 HydrophobicContact CE1-CG2 4.12Å; F90-I141 HydrophobicContact CZ-CG2 4.42Å |
| 91 | H | 95.3 | Very high | 93.3 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118.8 | 177.2 | -165.9 | -99.4 | 0 | 0 | 0 | 110.1 | H93 T94 A95 S117 | H91-H93 PolarHBondContact O-N 2.93Å; H91-T94 PolarHBondContact ND1-N 3.28Å; H91-T94 PolarHBondContact ND1-OG1 3.41Å; H91-A95 PolarHBondContact O-N 2.88Å; H91-S117 PolarHBondContact CD2-O 2.99Å; H91-S117 PolarHBondContact NE2-O 2.98Å |
| 92 | V | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -67.2 | -42.8 | -171.6 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | F90 T94 A95 R103 I106 V107 I114 G118 L120 | F90-V92 HydrophobicContact CE2-CG2 4.28Å; F90-V92 PolarHBondContact O-N 3.46Å; V92-T94 PolarHBondContact O-N 3.3Å; V92-A95 WeakPolarHBondContact O-CB 3.49Å; V92-A95 PolarHBondContact O-N 3.07Å; V92-R103 HydrophobicContact CG1-CB 4.21Å; V92-R103 HydrophobicContact CG1-CG 4.48Å; V92-R103 WeakPolarHBondContact O-CD 3.28Å; V92-I106 HydrophobicContact CG1-CB 4.44Å; V92-I106 HydrophobicContact CG1-CG2 4.2Å; V92-V107 HydrophobicContact CB-CG2 4.36Å; V92-V107 HydrophobicContact CG1-CG2 3.98Å; V92-I114 HydrophobicContact CG2-CD1 4.48Å; V92-G118 PolarHBondContact N-O 3.32Å; V92-G118 VanDerWaalsContact N-O 3.08Å; V92-L120 HydrophobicContact CG2-CB 3.59Å |
| 93 | H | 92.3 | Very high | 93.5 | Very high | 92 Ų | 92 | 47 Ų | 47 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.8 | -176.6 | -63.2 | -66.2 | 0 | 0 | 0 | 114.2 | H91 R103 | H91-H93 PolarHBondContact O-N 2.93Å; H93-R103 PolarHBondContact O-NH1 3.15Å |
| 94 | T | 92.8 | Very high | 93.5 | Very high | 93 Ų | 93 | 49.4 Ų | 49.4 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2 | -179.1 | -47.1 | 0 | 0 | 0 | 0 | 111.8 | H91 V92 D96 | H91-T94 PolarHBondContact ND1-N 3.28Å; H91-T94 PolarHBondContact ND1-OG1 3.41Å; V92-T94 PolarHBondContact O-N 3.3Å; T94-D96 PolarHBondContact O-N 3.29Å |
| 95 | A | 91.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -74.5 | 100.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F90 H91 V92 W97 I98 R103 | F90-A95 HydrophobicContact CD2-CB 4.2Å; F90-A95 HydrophobicContact CE2-CB 4.26Å; H91-A95 PolarHBondContact O-N 2.88Å; V92-A95 WeakPolarHBondContact O-CB 3.49Å; V92-A95 PolarHBondContact O-N 3.07Å; A95-W97 PolarHBondContact O-N 3.38Å; A95-I98 HydrophobicContact CB-CD1 4.04Å; A95-I98 HydrophobicContact CB-CG1 4.25Å; A95-I98 PolarHBondContact O-N 3.19Å; A95-R103 PolarHBondContact O-NH1 3.37Å | ||
| 96 | D | 89.8 | Confident | 93.4 | Very high | 122 Ų | 122 | 50.8 Ų | 50.8 | 65% | 0.652 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.9 | 179.8 | -55.9 | -37.2 | 0 | 0 | 0 | 114.1 | T94 I98 | T94-D96 PolarHBondContact O-N 3.29Å; D96-I98 PolarHBondContact O-N 2.89Å |
| 97 | W | 89.7 | Confident | 93.2 | Very high | 45 Ų | 45 | 52.6 Ų | 52.6 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.1 | -179.2 | 58 | -88.6 | 0 | 0 | 0 | 112.9 | V57 I59 P60 F90 A95 I141 V145 | V57-W97 HydrophobicContact CG1-CE3 3.98Å; V57-W97 HydrophobicContact CG1-CZ3 3.81Å; I59-W97 HydrophobicContact CG1-CE3 4.44Å; I59-W97 HydrophobicContact CG1-CH2 4.13Å; I59-W97 HydrophobicContact CG1-CZ3 3.8Å; I59-W97 HydrophobicContact CG2-CH2 4.13Å; I59-W97 HydrophobicContact CG2-CZ2 4.33Å; I59-W97 HydrophobicContact CG2-CZ3 4.46Å; P60-W97 HydrophobicContact CG-CB 4.29Å; P60-W97 HydrophobicContact CG-CD2 4.46Å; P60-W97 HydrophobicContact CG-CG 3.89Å; F90-W97 HydrophobicContact CD2-CZ2 4.2Å; F90-W97 HydrophobicContact CE1-CZ2 4.49Å; F90-W97 HydrophobicContact CE2-CH2 4.39Å; F90-W97 AromaticContact CE2-CZ2 3.84Å; F90-W97 HydrophobicContact CE2-CZ2 3.84Å; F90-W97 HydrophobicContact CZ-CH2 4.19Å; F90-W97 HydrophobicContact CZ-CZ2 4Å; A95-W97 PolarHBondContact O-N 3.38Å; W97-I141 HydrophobicContact CH2-CG2 4.04Å; W97-V145 HydrophobicContact CH2-CG2 4.44Å; W97-V145 HydrophobicContact CZ3-CG2 4.24Å |
| 98 | I | 90.7 | Very high | 93 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -120.3 | 130.6 | 176.7 | -51.8 | 176.1 | 0 | 0 | 0 | 108.5 | F90 A95 D96 I102 R103 I106 V145 | F90-I98 HydrophobicContact CE2-CD1 4.02Å; F90-I98 HydrophobicContact CZ-CD1 4.39Å; A95-I98 HydrophobicContact CB-CD1 4.04Å; A95-I98 HydrophobicContact CB-CG1 4.25Å; A95-I98 PolarHBondContact O-N 3.19Å; D96-I98 PolarHBondContact O-N 2.89Å; I98-I102 HydrophobicContact CG2-CB 3.72Å; I98-I102 HydrophobicContact CG2-CG2 3.63Å; I98-R103 HydrophobicContact CB-CG 3.83Å; I98-R103 HydrophobicContact CG2-CG 3.66Å; I98-I106 HydrophobicContact CD1-CD1 4.19Å; I98-I106 HydrophobicContact CG2-CD1 4.32Å; I98-V145 HydrophobicContact CD1-CG2 4.5Å |
| 99 | S | 91.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | trans | -61.5 | 145 | 173.4 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | D101 I102 R103 | S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 PolarHBondContact O-N 3.49Å; S99-I102 WeakPolarHBondContact O-CA 3.49Å; S99-I102 WeakPolarHBondContact O-CB 3.39Å; S99-I102 PolarHBondContact O-N 2.97Å; S99-R103 PolarHBondContact O-N 2.97Å | ||
| 100 | E | 91.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.7 | -44.5 | -176.4 | -178.3 | 56.2 | -151.8 | 0 | 0 | 113.4 | I102 R103 Q104 | E100-I102 PolarHBondContact O-N 3.48Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.45Å; E100-R103 IonicContact OE2-CZ 3.08Å; E100-R103 IonicContact OE2-NE 2.78Å; E100-R103 PolarHBondContact OE2-NE 3.41Å; E100-R103 IonicContact OE2-NH2 2.64Å; E100-R103 PolarHBondContact OE2-NH2 3.46Å; E100-Q104 WeakPolarHBondContact O-CG 3.38Å; E100-Q104 PolarHBondContact O-N 2.95Å; E100-Q104 PolarHBondContact OE1-NE2 2.89Å |
| 101 | D | 91.4 | Very high | 92.6 | Very high | 113 Ų | 113 | 64.9 Ų | 64.9 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.8 | -37.5 | 178 | -57.8 | -16.8 | 0 | 0 | 0 | 112.5 | S99 K105 | S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 PolarHBondContact O-N 3.49Å; D101-K105 VanDerWaalsContact O-CG 3.32Å; D101-K105 WeakPolarHBondContact O-CG 3.39Å; D101-K105 PolarHBondContact O-N 2.89Å |
| 102 | I | 92.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.2 | -39.7 | 178.9 | -60.3 | 175.8 | 0 | 0 | 0 | 109.4 | I98 S99 E100 Q104 K105 I106 V145 A148 | I98-I102 HydrophobicContact CG2-CB 3.72Å; I98-I102 HydrophobicContact CG2-CG2 3.63Å; S99-I102 WeakPolarHBondContact O-CA 3.49Å; S99-I102 WeakPolarHBondContact O-CB 3.39Å; S99-I102 PolarHBondContact O-N 2.97Å; E100-I102 PolarHBondContact O-N 3.48Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 3.24Å; I102-K105 PolarHBondContact O-N 2.93Å; I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 HydrophobicContact CG2-CG1 4.25Å; I102-I106 VanDerWaalsContact O-CG1 3.26Å; I102-I106 WeakPolarHBondContact O-CG1 3.46Å; I102-I106 PolarHBondContact O-N 3.26Å; I102-V145 HydrophobicContact CG2-CG1 4.1Å; I102-A148 HydrophobicContact CG2-CB 3.84Å |
| 103 | R | 93.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 72.7 Ų | 72.7 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.6 | -48.1 | 174.9 | -66 | -167.6 | -77.5 | -148.7 | 6.8 | 111.1 | V92 H93 A95 I98 S99 E100 K105 I106 V107 | V92-R103 HydrophobicContact CG1-CB 4.21Å; V92-R103 HydrophobicContact CG1-CG 4.48Å; V92-R103 WeakPolarHBondContact O-CD 3.28Å; H93-R103 PolarHBondContact O-NH1 3.15Å; A95-R103 PolarHBondContact O-NH1 3.37Å; I98-R103 HydrophobicContact CB-CG 3.83Å; I98-R103 HydrophobicContact CG2-CG 3.66Å; S99-R103 PolarHBondContact O-N 2.97Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.45Å; E100-R103 IonicContact OE2-CZ 3.08Å; E100-R103 IonicContact OE2-NE 2.78Å; E100-R103 PolarHBondContact OE2-NE 3.41Å; E100-R103 IonicContact OE2-NH2 2.64Å; E100-R103 PolarHBondContact OE2-NH2 3.46Å; R103-K105 PolarHBondContact O-N 3.06Å; R103-I106 PolarHBondContact O-N 2.91Å; R103-V107 WeakPolarHBondContact O-CG2 3.34Å; R103-V107 PolarHBondContact O-N 2.92Å |
| 104 | Q | 93.4 | Very high | 92.6 | Very high | 93 Ų | 93 | 69.9 Ų | 69.9 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 178.8 | -67.6 | 177.9 | 8.5 | 0 | 0 | 111.7 | E100 I102 I106 V107 E108 | E100-Q104 WeakPolarHBondContact O-CG 3.38Å; E100-Q104 PolarHBondContact O-N 2.95Å; E100-Q104 PolarHBondContact OE1-NE2 2.89Å; I102-Q104 VanDerWaalsContact C-N 3.32Å; I102-Q104 PolarHBondContact O-N 3.24Å; Q104-I106 VanDerWaalsContact C-N 3.35Å; Q104-I106 PolarHBondContact O-N 3.22Å; Q104-V107 WeakPolarHBondContact O-CB 3.48Å; Q104-V107 PolarHBondContact O-N 3.2Å; Q104-V107 VanDerWaalsContact O-N 3.16Å; Q104-E108 WeakPolarHBondContact O-CG 3.3Å; Q104-E108 PolarHBondContact O-N 3.03Å |
| 105 | K | 93.2 | Very high | 92.7 | Very high | 69 Ų | 69 | 68.3 Ų | 68.3 | 30% | 0.3 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 176.4 | -71.8 | 174.1 | -173.5 | 171.5 | 0 | 113.2 | D101 I102 R103 V107 E108 K109 A148 | D101-K105 VanDerWaalsContact O-CG 3.32Å; D101-K105 WeakPolarHBondContact O-CG 3.39Å; D101-K105 PolarHBondContact O-N 2.89Å; I102-K105 PolarHBondContact O-N 2.93Å; R103-K105 PolarHBondContact O-N 3.06Å; K105-V107 VanDerWaalsContact C-N 3.34Å; K105-E108 PolarHBondContact O-N 3.4Å; K105-K109 WeakPolarHBondContact O-CB 3.32Å; K105-K109 WeakPolarHBondContact O-CG 3.43Å; K105-K109 PolarHBondContact O-N 3.34Å; K105-A148 HydrophobicContact CB-CB 4.07Å; K105-A148 WeakPolarHBondContact CD-O 3.4Å |
| 106 | I | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.6 | -69.9 | 168.6 | 0 | 0 | 0 | 109.6 | V92 I98 I102 R103 Q104 E108 K109 N110 L120 I144 V145 A148 | V92-I106 HydrophobicContact CG1-CB 4.44Å; V92-I106 HydrophobicContact CG1-CG2 4.2Å; I98-I106 HydrophobicContact CD1-CD1 4.19Å; I98-I106 HydrophobicContact CG2-CD1 4.32Å; I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 HydrophobicContact CG2-CG1 4.25Å; I102-I106 VanDerWaalsContact O-CG1 3.26Å; I102-I106 WeakPolarHBondContact O-CG1 3.46Å; I102-I106 PolarHBondContact O-N 3.26Å; R103-I106 PolarHBondContact O-N 2.91Å; Q104-I106 VanDerWaalsContact C-N 3.35Å; Q104-I106 PolarHBondContact O-N 3.22Å; I106-E108 VanDerWaalsContact C-N 3.28Å; I106-E108 PolarHBondContact O-N 2.97Å; I106-K109 PolarHBondContact O-N 2.98Å; I106-N110 WeakPolarHBondContact O-CB 3.47Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-OD1 2.93Å; I106-L120 HydrophobicContact CG2-CD2 4.3Å; I106-I144 HydrophobicContact CG1-CG2 4.2Å; I106-I144 HydrophobicContact CG2-CG2 4.22Å; I106-V145 HydrophobicContact CD1-CG2 4.08Å; I106-A148 HydrophobicContact CD1-CB 4.4Å; I106-A148 HydrophobicContact CG1-CB 3.56Å |
| 107 | V | 94.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 76.9 Ų | 76.9 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V92 R103 Q104 K105 K111 I114 | V92-V107 HydrophobicContact CB-CG2 4.36Å; V92-V107 HydrophobicContact CG1-CG2 3.98Å; R103-V107 WeakPolarHBondContact O-CG2 3.34Å; R103-V107 PolarHBondContact O-N 2.92Å; Q104-V107 WeakPolarHBondContact O-CB 3.48Å; Q104-V107 PolarHBondContact O-N 3.2Å; Q104-V107 VanDerWaalsContact O-N 3.16Å; K105-V107 VanDerWaalsContact C-N 3.34Å; V107-K111 WeakPolarHBondContact O-CG 3.5Å; V107-K111 PolarHBondContact O-N 3.44Å; V107-I114 HydrophobicContact CB-CD1 4.27Å; V107-I114 HydrophobicContact CG1-CD1 4.46Å; V107-I114 HydrophobicContact CG2-CD1 4.09Å |
| 108 | E | 92.9 | Very high | 93 | Very high | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.593 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.9 | -45.1 | 179.4 | -73.6 | 178.4 | -179.6 | 0 | 0 | 113.9 | Q104 K105 I106 K111 | Q104-E108 WeakPolarHBondContact O-CG 3.3Å; Q104-E108 PolarHBondContact O-N 3.03Å; K105-E108 PolarHBondContact O-N 3.4Å; I106-E108 VanDerWaalsContact C-N 3.28Å; I106-E108 PolarHBondContact O-N 2.97Å; E108-K111 WeakPolarHBondContact O-CE 3.1Å; E108-K111 WeakPolarHBondContact O-CG 3.26Å |
| 109 | K | 92.3 | Very high | 93.3 | Very high | 102 Ų | 102 | 77.6 Ų | 77.6 | 44% | 0.443 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -78.2 | -35 | -176.5 | -72 | -174.2 | 169.5 | -161.9 | 0 | 113 | K105 I106 E147 | K105-K109 WeakPolarHBondContact O-CB 3.32Å; K105-K109 WeakPolarHBondContact O-CG 3.43Å; K105-K109 PolarHBondContact O-N 3.34Å; I106-K109 PolarHBondContact O-N 2.98Å; K109-E147 PolarHBondContact NZ-O 3.4Å; K109-E147 IonicContact NZ-OE1 2.7Å; K109-E147 PolarHBondContact NZ-OE1 2.85Å |
| 110 | N | 93.6 | Very high | 93.5 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.112 | 37% | 0.365 | C | S | . | . | trans | -109.9 | 28.9 | -171.4 | -58.9 | 100.2 | 0 | 0 | 0 | 113.6 | I106 T112 R113 I114 L120 I144 | I106-N110 WeakPolarHBondContact O-CB 3.47Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-OD1 2.93Å; N110-T112 PolarHBondContact O-N 3.25Å; N110-R113 PolarHBondContact O-N 3.41Å; N110-I114 PolarHBondContact O-N 3.34Å; N110-L120 HydrophobicContact CB-CD1 4.16Å; N110-I144 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 111 | K | 93.2 | Very high | 93.7 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 61% | 0.613 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -47.2 | -40.3 | 179.1 | -66.1 | -178.6 | -174.5 | -175.4 | 0 | 113.9 | V107 E108 R113 I114 | V107-K111 WeakPolarHBondContact O-CG 3.5Å; V107-K111 PolarHBondContact O-N 3.44Å; E108-K111 WeakPolarHBondContact O-CE 3.1Å; E108-K111 WeakPolarHBondContact O-CG 3.26Å; K111-R113 PolarHBondContact O-N 3.28Å; K111-I114 PolarHBondContact O-N 2.89Å |
| 112 | T | 93.8 | Very high | 93.9 | Very high | 147 Ų | 147 | 67.2 Ų | 67.2 | 90% | 0.902 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -65.3 | -23.9 | -179 | -42.4 | 0 | 0 | 0 | 0 | 113.6 | N110 | N110-T112 PolarHBondContact O-N 3.25Š|
| 113 | R | 93.4 | Very high | 94.1 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -100.3 | -2.2 | -176.3 | -61.5 | 177 | 64.6 | 176.1 | 0.5 | 113 | N110 K111 L120 L121 V122 I144 | N110-R113 PolarHBondContact O-N 3.41Å; K111-R113 PolarHBondContact O-N 3.28Å; R113-L120 HydrophobicContact CB-CD1 3.83Å; R113-L121 PolarHBondContact NE-O 2.99Å; R113-L121 PolarHBondContact NH2-O 3.49Å; R113-L121 PolarHBondContact O-N 3.12Å; R113-V122 VanDerWaalsContact NH2-CG1 3.35Å; R113-I144 VanDerWaalsContact NH1-CD1 3.27Å |
| 114 | I | 95.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -101.3 | 131.8 | -176.6 | -67.7 | 171.4 | 0 | 0 | 0 | 109.4 | V92 V107 N110 K111 E119 L120 | V92-I114 HydrophobicContact CG2-CD1 4.48Å; V107-I114 HydrophobicContact CB-CD1 4.27Å; V107-I114 HydrophobicContact CG1-CD1 4.46Å; V107-I114 HydrophobicContact CG2-CD1 4.09Å; N110-I114 PolarHBondContact O-N 3.34Å; K111-I114 PolarHBondContact O-N 2.89Å; I114-E119 CarbonylContact C-O 3.58Å; I114-E119 VanDerWaalsContact CA-O 3.32Å; I114-E119 WeakPolarHBondContact CA-O 3.38Å; I114-L120 HydrophobicContact CD1-CD1 4.43Å; I114-L120 HydrophobicContact CG1-CB 4.36Å; I114-L120 HydrophobicContact CG1-CD1 3.73Å |
| 115 | N | 94.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 66 Ų | 66 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | trans | -75 | 163.9 | 175 | -71.9 | -23.7 | 0 | 0 | 0 | 111.4 | R89 S117 G118 E119 | R89-N115 PolarHBondContact NH2-ND2 3.38Å; N115-S117 PolarHBondContact O-N 3.37Å; N115-G118 PolarHBondContact O-N 3Å; N115-E119 HydrophobicContact CB-CB 4.49Å; N115-E119 PolarHBondContact N-O 2.88Å | ||
| 116 | K | 92.6 | Very high | 94.3 | Very high | 223 Ų | 223 | 68.4 Ų | 68.4 | 97% | 0.97 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.2 | 175 | -64.9 | -176.6 | 179.9 | -179.4 | 0 | 113.3 | G118 | K116-G118 VanDerWaalsContact C-N 3.26Å; K116-G118 PolarHBondContact O-N 3.27Å |
| 117 | S | 92.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 69.7 Ų | 69.7 | 60% | 0.601 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4 | 176.9 | -45 | 0 | 0 | 0 | 0 | 114.2 | H91 N115 | H91-S117 PolarHBondContact CD2-O 2.99Å; H91-S117 PolarHBondContact NE2-O 2.98Å; N115-S117 PolarHBondContact O-N 3.37Å |
| 118 | G | 93.3 | Very high | 94 | Very high | 11 Ų | 11 | 77.8 Ų | 77.8 | 11% | 0.113 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 81.7 | 13.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V92 N115 K116 | V92-G118 PolarHBondContact N-O 3.32Å; V92-G118 VanDerWaalsContact N-O 3.08Å; N115-G118 PolarHBondContact O-N 3Å; K116-G118 VanDerWaalsContact C-N 3.26Å; K116-G118 PolarHBondContact O-N 3.27Å |
| 119 | E | 95.3 | Very high | 94 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.6 | 177.9 | -62.5 | -179.2 | 167.9 | 0 | 0 | 111.8 | R89 F90 I114 N115 | R89-E119 IonicContact CZ-OE2 2.67Å; R89-E119 VanDerWaalsContact CZ-OE2 3.3Å; R89-E119 IonicContact NE-OE2 2.85Å; R89-E119 PolarHBondContact NE-OE2 3.39Å; R89-E119 VanDerWaalsContact NE-OE2 3.14Å; R89-E119 IonicContact NH2-OE2 3.14Å; R89-E119 PolarHBondContact NH2-OE2 3.04Å; F90-E119 CarbonylContact O-C 3.6Å; F90-E119 VanDerWaalsContact O-CA 3.3Å; F90-E119 WeakPolarHBondContact O-CA 3.27Å; I114-E119 CarbonylContact C-O 3.58Å; I114-E119 VanDerWaalsContact CA-O 3.32Å; I114-E119 WeakPolarHBondContact CA-O 3.38Å; N115-E119 HydrophobicContact CB-CB 4.49Å; N115-E119 PolarHBondContact N-O 2.88Å |
| 120 | L | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.8 | 172.6 | -177.5 | 69 | 0 | 0 | 0 | 110.1 | R89 F90 V92 I106 N110 R113 I114 V122 I144 | R89-L120 WeakPolarHBondContact CA-O 3.27Å; F90-L120 HydrophobicContact CE1-CB 4.3Å; F90-L120 HydrophobicContact CE1-CD2 3.91Å; F90-L120 HydrophobicContact CZ-CB 4.38Å; F90-L120 HydrophobicContact CZ-CD2 3.86Å; F90-L120 PolarHBondContact N-O 3.5Å; F90-L120 PolarHBondContact O-N 3.08Å; V92-L120 HydrophobicContact CG2-CB 3.59Å; I106-L120 HydrophobicContact CG2-CD2 4.3Å; N110-L120 HydrophobicContact CB-CD1 4.16Å; R113-L120 HydrophobicContact CB-CD1 3.83Å; I114-L120 HydrophobicContact CD1-CD1 4.43Å; I114-L120 HydrophobicContact CG1-CB 4.36Å; I114-L120 HydrophobicContact CG1-CD1 3.73Å; L120-V122 HydrophobicContact CD2-CG2 4.3Å; L120-V122 HydrophobicContact CG-CG2 4.25Å; L120-I144 HydrophobicContact CD2-CD1 4.36Å |
| 121 | L | 96.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 78.8 Ų | 78.8 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.7 | 176 | -178.7 | 66.6 | 0 | 0 | 0 | 111.2 | E87 R89 R113 T123 | E87-L121 HydrophobicContact CB-CD1 4.36Å; R89-L121 HydrophobicContact CG-CD1 3.35Å; R113-L121 PolarHBondContact NE-O 2.99Å; R113-L121 PolarHBondContact NH2-O 3.49Å; R113-L121 PolarHBondContact O-N 3.12Å; L121-T123 HydrophobicContact CD1-CG2 4.08Å; L121-T123 HydrophobicContact CD2-CG2 4.44Å; L121-T123 HydrophobicContact CG-CG2 4.06Å |
| 122 | V | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.8 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | V88 R113 L120 C137 K140 I141 I144 | V88-V122 PolarHBondContact N-O 3.39Å; V88-V122 PolarHBondContact O-N 3.06Å; R113-V122 VanDerWaalsContact NH2-CG1 3.35Å; L120-V122 HydrophobicContact CD2-CG2 4.3Å; L120-V122 HydrophobicContact CG-CG2 4.25Å; V122-C137 HydrophobicContact CG1-CB 4.17Å; V122-K140 HydrophobicContact CG1-CB 3.85Å; V122-K140 HydrophobicContact CG1-CD 4.19Å; V122-I141 HydrophobicContact CB-CD1 4.46Å; V122-I141 HydrophobicContact CB-CG1 4.17Å; V122-I141 HydrophobicContact CG1-CG1 4.32Å; V122-I141 HydrophobicContact CG2-CD1 4.23Å; V122-I141 HydrophobicContact CG2-CG1 3.63Å; V122-I144 HydrophobicContact CG2-CD1 4.31Å |
| 123 | T | 96.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 73.4 Ų | 73.4 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | A86 E87 L121 C137 K140 | A86-T123 CarbonylContact O-C 3.59Å; A86-T123 VanDerWaalsContact O-CA 3.3Å; A86-T123 WeakPolarHBondContact O-CA 3.35Å; E87-T123 HydrophobicContact CB-CG2 3.95Å; E87-T123 HydrophobicContact CG-CG2 3.62Å; L121-T123 HydrophobicContact CD1-CG2 4.08Å; L121-T123 HydrophobicContact CD2-CG2 4.44Å; L121-T123 HydrophobicContact CG-CG2 4.06Å; T123-C137 VanDerWaalsContact C-SG 3.55Å; T123-K140 PolarHBondContact O-NZ 3.14Å |
| 124 | S | 96.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 138.5 | 171.6 | -170.7 | 0 | 0 | 0 | 0 | 112 | K85 A86 D136 C137 | K85-S124 WeakPolarHBondContact CA-O 3.49Å; A86-S124 PolarHBondContact N-O 3.14Å; A86-S124 PolarHBondContact O-N 3.37Å; S124-D136 WeakPolarHBondContact CB-OD2 3.48Å; S124-D136 PolarHBondContact OG-OD2 2.85Å; S124-C137 VanDerWaalsContact CB-SG 3.5Å; S124-C137 PolarHBondContact N-SG 3.45Å |
| 125 | E | 94.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 74.2 Ų | 74.2 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | trans | -139.9 | 27.2 | 176 | 58.8 | 177.5 | -179.6 | 0 | 0 | 112.3 | S71 S72 K85 | S71-E125 WeakPolarHBondContact CA-OE2 3.37Å; S71-E125 VanDerWaalsContact CB-OE2 3.24Å; S71-E125 WeakPolarHBondContact CB-OE2 3.38Å; S72-E125 PolarHBondContact N-OE2 2.89Å; S72-E125 PolarHBondContact OG-OE1 3.48Å; S72-E125 PolarHBondContact OG-OE2 3.07Å; K85-E125 HydrophobicContact CB-CB 4.09Å; K85-E125 HydrophobicContact CG-CB 4.08Å | ||
| 126 | V | 92.3 | Very high | 94.5 | Very high | 121 Ų | 121 | 73.2 Ų | 73.2 | 73% | 0.733 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -69.1 | -35.4 | -175.1 | 179.6 | 0 | 0 | 0 | 0 | 112 | N133 | V126-N133 PolarHBondContact N-OD1 3.34Š|
| 127 | S | 92.3 | Very high | 94.6 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -111.9 | 159.5 | -175.6 | -161.7 | 0 | 0 | 0 | 0 | 112.6 | S129 R132 N133 | S127-S129 PolarHBondContact O-N 3.47Å; S127-R132 VanDerWaalsContact OG-CD 3.26Å; S127-R132 WeakPolarHBondContact OG-CD 3.01Å; S127-N133 WeakPolarHBondContact CA-OD1 3.46Å; S127-N133 WeakPolarHBondContact CB-OD1 3.36Å; S127-N133 PolarHBondContact N-OD1 3.39Å; S127-N133 PolarHBondContact O-ND2 2.83Å; S127-N133 PolarHBondContact O-OD1 2.85Å |
| 128 | R | 90.3 | Very high | 94.7 | Very high | 207 Ų | 207 | 60.2 Ų | 60.2 | 78% | 0.781 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.4 | -9.2 | 168.3 | 68.7 | 178.1 | -175.8 | -176.7 | 1.1 | 114.2 | T84 | T84-R128 VanDerWaalsContact CG2-O 3.27Å; T84-R128 WeakPolarHBondContact CG2-O 3.28Å |
| 129 | S | 92.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | trans | -103.4 | 128.1 | -179.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | S127 Q131 R132 N133 | S127-S129 PolarHBondContact O-N 3.47Å; S129-Q131 VanDerWaalsContact C-N 3.33Å; S129-Q131 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact OG-N 3.14Å; S129-R132 PolarHBondContact O-N 2.9Å; S129-N133 PolarHBondContact O-N 3.33Å; S129-N133 VanDerWaalsContact O-N 3.12Å; S129-N133 PolarHBondContact O-ND2 2.88Å | ||
| 130 | Q | 94.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.9 | -46.1 | 174.7 | -73.4 | 173.8 | -5.6 | 0 | 0 | 112 | Y68 S83 R132 N133 L134 | Y68-Q130 HydrophobicContact CD1-CB 4.15Å; Y68-Q130 HydrophobicContact CD1-CG 3.99Å; Y68-Q130 HydrophobicContact CE1-CB 3.83Å; Y68-Q130 HydrophobicContact CE1-CG 4.19Å; S83-Q130 WeakPolarHBondContact O-CG 3.3Å; S83-Q130 PolarHBondContact O-NE2 3.07Å; Q130-R132 VanDerWaalsContact C-N 3.31Å; Q130-R132 PolarHBondContact O-N 3.45Å; Q130-N133 PolarHBondContact O-N 3.26Å; Q130-L134 PolarHBondContact O-N 3.25Å |
| 131 | Q | 94.6 | Very high | 94.6 | Very high | 149 Ų | 149 | 66.5 Ų | 66.5 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | -179.1 | -68.6 | 176.5 | -35.6 | 0 | 0 | 111.6 | S129 N133 L134 L135 | S129-Q131 VanDerWaalsContact C-N 3.33Å; S129-Q131 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact OG-N 3.14Å; Q131-N133 VanDerWaalsContact C-N 3.33Å; Q131-N133 PolarHBondContact O-N 3.13Å; Q131-L134 PolarHBondContact O-N 3.44Å; Q131-L135 WeakPolarHBondContact O-CG 3.47Å; Q131-L135 PolarHBondContact O-N 2.82Å |
| 132 | R | 95.5 | Very high | 94.5 | Very high | 173 Ų | 173 | 66.1 Ų | 66.1 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.6 | -38.7 | 178.7 | -161.1 | 177.2 | -147.4 | 131.8 | 1.5 | 111.5 | S127 S129 Q130 L135 D136 | S127-R132 VanDerWaalsContact OG-CD 3.26Å; S127-R132 WeakPolarHBondContact OG-CD 3.01Å; S129-R132 PolarHBondContact O-N 2.9Å; Q130-R132 VanDerWaalsContact C-N 3.31Å; Q130-R132 PolarHBondContact O-N 3.45Å; R132-L135 PolarHBondContact O-N 2.9Å; R132-D136 PolarHBondContact O-N 3.27Å |
| 133 | N | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 176.3 | -67.4 | -21.1 | 0 | 0 | 0 | 112 | T84 A86 V126 S127 S129 Q130 Q131 D136 C137 | T84-N133 PolarHBondContact O-ND2 3.05Å; A86-N133 HydrophobicContact CB-CB 3.79Å; V126-N133 PolarHBondContact N-OD1 3.34Å; S127-N133 WeakPolarHBondContact CA-OD1 3.46Å; S127-N133 WeakPolarHBondContact CB-OD1 3.36Å; S127-N133 PolarHBondContact N-OD1 3.39Å; S127-N133 PolarHBondContact O-ND2 2.83Å; S127-N133 PolarHBondContact O-OD1 2.85Å; S129-N133 PolarHBondContact O-N 3.33Å; S129-N133 VanDerWaalsContact O-N 3.12Å; S129-N133 PolarHBondContact O-ND2 2.88Å; Q130-N133 PolarHBondContact O-N 3.26Å; Q131-N133 VanDerWaalsContact C-N 3.33Å; Q131-N133 PolarHBondContact O-N 3.13Å; N133-D136 PolarHBondContact O-N 3.47Å; N133-C137 PolarHBondContact O-N 2.86Å; N133-C137 PolarHBondContact O-SG 2.93Å; N133-C137 VanDerWaalsContact O-SG 3.4Å |
| 134 | L | 95.2 | Very high | 94.1 | Very high | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 172.8 | 178.3 | 61.9 | 0 | 0 | 0 | 111.5 | V66 V88 Q130 Q131 D136 C137 I138 | V66-L134 HydrophobicContact CG1-CD1 3.8Å; V66-L134 HydrophobicContact CG2-CD1 3.88Å; V88-L134 HydrophobicContact CG2-CD1 3.76Å; Q130-L134 PolarHBondContact O-N 3.25Å; Q131-L134 PolarHBondContact O-N 3.44Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3.23Å; L134-C137 WeakPolarHBondContact O-CB 3.34Å; L134-C137 PolarHBondContact O-N 2.99Å; L134-C137 VanDerWaalsContact O-N 3.16Å; L134-I138 HydrophobicContact CD1-CD1 4.46Å; L134-I138 HydrophobicContact CG-CD1 4.2Å; L134-I138 WeakPolarHBondContact O-CG1 3.44Å; L134-I138 PolarHBondContact O-N 2.95Å |
| 135 | L | 94.6 | Very high | 93.9 | Very high | 105 Ų | 105 | 67 Ų | 67 | 55% | 0.55 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.6 | -70.3 | 173.7 | 0 | 0 | 0 | 111.7 | Q131 R132 C137 I138 Q139 | Q131-L135 WeakPolarHBondContact O-CG 3.47Å; Q131-L135 PolarHBondContact O-N 2.82Å; R132-L135 PolarHBondContact O-N 2.9Å; L135-C137 VanDerWaalsContact C-N 3.35Å; L135-C137 PolarHBondContact O-N 3.31Å; L135-I138 PolarHBondContact O-N 3.2Å; L135-Q139 WeakPolarHBondContact O-CG 3.42Å; L135-Q139 PolarHBondContact O-N 3.46Å |
| 136 | D | 96.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.1 | -178 | 67.4 | 0 | 0 | 0 | 112.1 | S124 R132 N133 L134 I138 Q139 K140 | S124-D136 WeakPolarHBondContact CB-OD2 3.48Å; S124-D136 PolarHBondContact OG-OD2 2.85Å; R132-D136 PolarHBondContact O-N 3.27Å; N133-D136 PolarHBondContact O-N 3.47Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3.23Å; D136-I138 PolarHBondContact O-N 3Å; D136-Q139 PolarHBondContact O-N 3.13Å; D136-K140 WeakPolarHBondContact O-CB 3.32Å; D136-K140 VanDerWaalsContact O-CG 3.32Å; D136-K140 WeakPolarHBondContact O-CG 3.36Å; D136-K140 PolarHBondContact O-N 2.61Å; D136-K140 WeakPolarHBondContact OD2-CE 3.39Å; D136-K140 IonicContact OD2-NZ 3.3Å; D136-K140 PolarHBondContact OD2-NZ 2.91Å |
| 137 | C | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 172.1 | -74.1 | 0 | 0 | 0 | 0 | 112.2 | V88 V122 T123 S124 N133 L134 L135 K140 I141 | V88-C137 HydrophobicContact CB-CB 4.25Å; V88-C137 HydrophobicContact CG2-CB 3.55Å; V122-C137 HydrophobicContact CG1-CB 4.17Å; T123-C137 VanDerWaalsContact C-SG 3.55Å; S124-C137 VanDerWaalsContact CB-SG 3.5Å; S124-C137 PolarHBondContact N-SG 3.45Å; N133-C137 PolarHBondContact O-N 2.86Å; N133-C137 PolarHBondContact O-SG 2.93Å; N133-C137 VanDerWaalsContact O-SG 3.4Å; L134-C137 WeakPolarHBondContact O-CB 3.34Å; L134-C137 PolarHBondContact O-N 2.99Å; L134-C137 VanDerWaalsContact O-N 3.16Å; L135-C137 VanDerWaalsContact C-N 3.35Å; L135-C137 PolarHBondContact O-N 3.31Å; C137-K140 WeakPolarHBondContact O-CB 3.38Å; C137-K140 PolarHBondContact O-N 3.02Å; C137-I141 WeakPolarHBondContact O-CG1 3.38Å; C137-I141 PolarHBondContact O-N 3.17Å |
| 138 | I | 94.3 | Very high | 93.5 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.179 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.6 | -66 | 166.7 | 0 | 0 | 0 | 110.5 | I59 V61 L134 L135 D136 K140 I141 S142 | I59-I138 HydrophobicContact CD1-CG2 4.21Å; V61-I138 HydrophobicContact CG2-CD1 4.23Å; L134-I138 HydrophobicContact CD1-CD1 4.46Å; L134-I138 HydrophobicContact CG-CD1 4.2Å; L134-I138 WeakPolarHBondContact O-CG1 3.44Å; L134-I138 PolarHBondContact O-N 2.95Å; L135-I138 PolarHBondContact O-N 3.2Å; D136-I138 PolarHBondContact O-N 3Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-K140 PolarHBondContact O-N 2.94Å; I138-I141 PolarHBondContact O-N 3.19Å; I138-S142 PolarHBondContact O-N 3.4Å |
| 139 | Q | 93.2 | Very high | 93.5 | Very high | 130 Ų | 130 | 56.6 Ų | 56.6 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.7 | -42.6 | 175.6 | -73.5 | 176.8 | -6.8 | 0 | 0 | 111.9 | L135 D136 I141 S142 A143 | L135-Q139 WeakPolarHBondContact O-CG 3.42Å; L135-Q139 PolarHBondContact O-N 3.46Å; D136-Q139 PolarHBondContact O-N 3.13Å; Q139-I141 PolarHBondContact O-N 3.22Å; Q139-S142 WeakPolarHBondContact O-CB 3.47Å; Q139-S142 PolarHBondContact O-N 3.38Å; Q139-A143 WeakPolarHBondContact O-CB 3.4Å; Q139-A143 PolarHBondContact O-N 3.13Å |
| 140 | K | 94.8 | Very high | 93.3 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 174.1 | -77 | 166.5 | 173 | 164 | 0 | 112.3 | V122 T123 D136 C137 I138 A143 I144 | V122-K140 HydrophobicContact CG1-CB 3.85Å; V122-K140 HydrophobicContact CG1-CD 4.19Å; T123-K140 PolarHBondContact O-NZ 3.14Å; D136-K140 WeakPolarHBondContact O-CB 3.32Å; D136-K140 VanDerWaalsContact O-CG 3.32Å; D136-K140 WeakPolarHBondContact O-CG 3.36Å; D136-K140 PolarHBondContact O-N 2.61Å; D136-K140 WeakPolarHBondContact OD2-CE 3.39Å; D136-K140 IonicContact OD2-NZ 3.3Å; D136-K140 PolarHBondContact OD2-NZ 2.91Å; C137-K140 WeakPolarHBondContact O-CB 3.38Å; C137-K140 PolarHBondContact O-N 3.02Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-K140 PolarHBondContact O-N 2.94Å; K140-A143 PolarHBondContact O-N 2.91Å; K140-I144 WeakPolarHBondContact O-CD1 3.46Å; K140-I144 WeakPolarHBondContact O-CG1 3.49Å; K140-I144 PolarHBondContact O-N 3.15Å |
| 141 | I | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 175.3 | -68 | 166.1 | 0 | 0 | 0 | 109.9 | I59 L64 V88 F90 W97 V122 C137 I138 Q139 A143 I144 V145 | I59-I141 HydrophobicContact CD1-CB 4.21Å; I59-I141 HydrophobicContact CD1-CG2 3.82Å; L64-I141 HydrophobicContact CD1-CD1 4.49Å; V88-I141 HydrophobicContact CB-CD1 4.28Å; V88-I141 HydrophobicContact CG1-CD1 3.68Å; F90-I141 HydrophobicContact CE1-CD1 4.17Å; F90-I141 HydrophobicContact CE1-CG1 4.37Å; F90-I141 HydrophobicContact CE1-CG2 4.12Å; F90-I141 HydrophobicContact CZ-CG2 4.42Å; W97-I141 HydrophobicContact CH2-CG2 4.04Å; V122-I141 HydrophobicContact CB-CD1 4.46Å; V122-I141 HydrophobicContact CB-CG1 4.17Å; V122-I141 HydrophobicContact CG1-CG1 4.32Å; V122-I141 HydrophobicContact CG2-CD1 4.23Å; V122-I141 HydrophobicContact CG2-CG1 3.63Å; C137-I141 WeakPolarHBondContact O-CG1 3.38Å; C137-I141 PolarHBondContact O-N 3.17Å; I138-I141 PolarHBondContact O-N 3.19Å; Q139-I141 PolarHBondContact O-N 3.22Å; I141-A143 VanDerWaalsContact C-N 3.31Å; I141-A143 PolarHBondContact O-N 3.28Å; I141-I144 WeakPolarHBondContact O-CB 3.32Å; I141-I144 PolarHBondContact O-N 2.88Å; I141-I144 VanDerWaalsContact O-N 3.15Å; I141-V145 HydrophobicContact CG2-CG2 4.47Å; I141-V145 WeakPolarHBondContact O-CG2 3.33Å; I141-V145 PolarHBondContact O-N 3.19Å |
| 142 | S | 92.9 | Very high | 92 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 176.5 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | I138 Q139 I144 V145 A146 | I138-S142 PolarHBondContact O-N 3.4Å; Q139-S142 WeakPolarHBondContact O-CB 3.47Å; Q139-S142 PolarHBondContact O-N 3.38Å; S142-I144 PolarHBondContact O-N 3.42Å; S142-V145 PolarHBondContact O-N 2.95Å; S142-A146 WeakPolarHBondContact O-CB 3.43Å; S142-A146 PolarHBondContact O-N 3.48Å |
| 143 | A | 92.3 | Very high | 91.4 | Very high | 60 Ų | 60 | 68 Ų | 68 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q139 K140 I141 A146 E147 | Q139-A143 WeakPolarHBondContact O-CB 3.4Å; Q139-A143 PolarHBondContact O-N 3.13Å; K140-A143 PolarHBondContact O-N 2.91Å; I141-A143 VanDerWaalsContact C-N 3.31Å; I141-A143 PolarHBondContact O-N 3.28Å; A143-A146 PolarHBondContact O-N 2.86Å; A143-E147 WeakPolarHBondContact O-CB 3.22Å; A143-E147 PolarHBondContact O-N 2.92Å |
| 144 | I | 93 | Very high | 90.9 | Very high | 10 Ų | 10 | 75.5 Ų | 75.5 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.4 | -68.5 | 161.4 | 0 | 0 | 0 | 110.5 | I106 N110 R113 L120 V122 K140 I141 S142 E147 A148 | I106-I144 HydrophobicContact CG1-CG2 4.2Å; I106-I144 HydrophobicContact CG2-CG2 4.22Å; N110-I144 WeakPolarHBondContact OD1-CG2 3.41Å; R113-I144 VanDerWaalsContact NH1-CD1 3.27Å; L120-I144 HydrophobicContact CD2-CD1 4.36Å; V122-I144 HydrophobicContact CG2-CD1 4.31Å; K140-I144 WeakPolarHBondContact O-CD1 3.46Å; K140-I144 WeakPolarHBondContact O-CG1 3.49Å; K140-I144 PolarHBondContact O-N 3.15Å; I141-I144 WeakPolarHBondContact O-CB 3.32Å; I141-I144 PolarHBondContact O-N 2.88Å; I141-I144 VanDerWaalsContact O-N 3.15Å; S142-I144 PolarHBondContact O-N 3.42Å; I144-E147 PolarHBondContact O-N 3.42Å; I144-A148 WeakPolarHBondContact O-CB 3.48Å; I144-A148 PolarHBondContact O-N 2.8Å |
| 145 | V | 91.8 | Very high | 90.5 | Very high | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 178.9 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | V57 W97 I98 I102 I106 I141 S142 E147 A148 S149 | V57-V145 HydrophobicContact CB-CG1 4.44Å; V57-V145 HydrophobicContact CG1-CG1 4.08Å; V57-V145 HydrophobicContact CG2-CB 4.47Å; V57-V145 HydrophobicContact CG2-CG1 3.77Å; W97-V145 HydrophobicContact CH2-CG2 4.44Å; W97-V145 HydrophobicContact CZ3-CG2 4.24Å; I98-V145 HydrophobicContact CD1-CG2 4.5Å; I102-V145 HydrophobicContact CG2-CG1 4.1Å; I106-V145 HydrophobicContact CD1-CG2 4.08Å; I141-V145 HydrophobicContact CG2-CG2 4.47Å; I141-V145 WeakPolarHBondContact O-CG2 3.33Å; I141-V145 PolarHBondContact O-N 3.19Å; S142-V145 PolarHBondContact O-N 2.95Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.48Å; V145-A148 PolarHBondContact O-N 3.01Å; V145-S149 WeakPolarHBondContact O-CB 3.46Å; V145-S149 PolarHBondContact O-N 3.37Å |
| 146 | A | 91.1 | Very high | 90.4 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S142 A143 S149 K150 | S142-A146 WeakPolarHBondContact O-CB 3.43Å; S142-A146 PolarHBondContact O-N 3.48Å; A143-A146 PolarHBondContact O-N 2.86Å; A146-S149 PolarHBondContact O-N 2.69Å; A146-K150 PolarHBondContact O-N 2.88Å |
| 147 | E | 90.6 | Very high | 90.2 | Very high | 101 Ų | 101 | 79.6 Ų | 79.6 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -34.2 | 177.5 | -157.2 | -147 | 128.1 | 0 | 0 | 112.8 | K109 A143 I144 V145 | K109-E147 PolarHBondContact NZ-O 3.4Å; K109-E147 IonicContact NZ-OE1 2.7Å; K109-E147 PolarHBondContact NZ-OE1 2.85Å; A143-E147 WeakPolarHBondContact O-CB 3.22Å; A143-E147 PolarHBondContact O-N 2.92Å; I144-E147 PolarHBondContact O-N 3.42Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.48Å |
| 148 | A | 91 | Very high | 90 | Very high | 1 Ų | 1 | 86.6 Ų | 86.6 | 1% | 0.008 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -74.4 | -33.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I102 K105 I106 I144 V145 K150 | I102-A148 HydrophobicContact CG2-CB 3.84Å; K105-A148 HydrophobicContact CB-CB 4.07Å; K105-A148 WeakPolarHBondContact CD-O 3.4Å; I106-A148 HydrophobicContact CD1-CB 4.4Å; I106-A148 HydrophobicContact CG1-CB 3.56Å; I144-A148 WeakPolarHBondContact O-CB 3.48Å; I144-A148 PolarHBondContact O-N 2.8Å; V145-A148 PolarHBondContact O-N 3.01Å; A148-K150 VanDerWaalsContact C-N 3.33Å |
| 149 | S | 89.7 | Confident | 89.8 | Confident | 59 Ų | 59 | 88.2 Ų | 88.2 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | V145 A146 R151 | V145-S149 WeakPolarHBondContact O-CB 3.46Å; V145-S149 PolarHBondContact O-N 3.37Å; A146-S149 PolarHBondContact O-N 2.69Å; S149-R151 PolarHBondContact O-N 2.99Å; S149-R151 VanDerWaalsContact O-N 3.15Å |
| 150 | K | 88.3 | Confident | 89.8 | Confident | 160 Ų | 160 | 85.6 Ų | 85.6 | 70% | 0.696 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -56.9 | 120.4 | -179.6 | -168.9 | 172.2 | -176.8 | 173.6 | 0 | 111.6 | A146 A148 | A146-K150 PolarHBondContact O-N 2.88Å; A148-K150 VanDerWaalsContact C-N 3.33Å |
| 151 | R | 81.8 | Confident | 89.8 | Confident | 208 Ų | 208 | 85.1 Ų | 85.1 | 79% | 0.785 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 136.3 | 175.3 | -162.3 | 175.5 | -160 | -179.2 | 4.4 | 109.8 | S149 R153 | S149-R151 PolarHBondContact O-N 2.99Å; S149-R151 VanDerWaalsContact O-N 3.15Å; R151-R153 PolarHBondContact O-N 3.42Å |
| 152 | P | 79.8 | Confident | 89.8 | Confident | 105 Ų | 105 | 89.4 Ų | 89.4 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 135.3 | 171.6 | 24.3 | -33.2 | 0 | 0 | 0 | 109.3 | ||
| 153 | R | 83.8 | Confident | 89.8 | Confident | 212 Ų | 212 | 94.6 Ų | 94.6 | 80% | 0.8 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 133.4 | 174.3 | -175.5 | -177 | 170.5 | 172.7 | -0.8 | 108.4 | R151 | R151-R153 PolarHBondContact O-N 3.42Š|
| 154 | E | 85.3 | Confident | 90 | Very high | 158 Ų | 158 | 94 Ų | 94 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 130.5 | 169.8 | -66.5 | -179.8 | -179.6 | 0 | 0 | 109.1 | S156 | E154-S156 PolarHBondContact O-N 3.16Š|
| 155 | P | 86.3 | Confident | 90.1 | Very high | 70 Ų | 70 | 96.1 Ų | 96.1 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 136.6 | -178.4 | 27.3 | -33.5 | 0 | 0 | 0 | 110.1 | D159 V160 | P155-D159 HydrophobicContact CB-CB 4.24Å; P155-V160 HydrophobicContact CB-CG2 4.07Å; P155-V160 HydrophobicContact CG-CG2 4.21Å |
| 156 | S | 92.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 104 Ų | 104 | 33% | 0.329 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 155 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | E154 E158 D159 V160 | E154-S156 PolarHBondContact O-N 3.16Å; S156-E158 PolarHBondContact O-N 2.9Å; S156-D159 PolarHBondContact N-OD2 2.99Å; S156-D159 WeakPolarHBondContact O-CA 3.49Å; S156-D159 VanDerWaalsContact O-CB 3.32Å; S156-D159 WeakPolarHBondContact O-CB 3.42Å; S156-D159 PolarHBondContact O-N 3.45Å; S156-V160 PolarHBondContact O-N 3.32Å |
| 157 | D | 91.4 | Very high | 90.6 | Very high | 143 Ų | 143 | 105 Ų | 105 | 77% | 0.765 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.6 | -37.3 | 173.5 | -65.9 | -30.3 | 0 | 0 | 0 | 111.6 | D159 V160 A161 | D157-D159 PolarHBondContact O-N 2.9Å; D157-V160 PolarHBondContact O-N 3.21Å; D157-A161 PolarHBondContact O-N 3.4Å |
| 158 | E | 92.8 | Very high | 90.9 | Very high | 147 Ų | 147 | 105.3 Ų | 105.3 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 173.4 | -63.3 | -178.7 | 173.7 | 0 | 0 | 112.2 | S156 V160 A161 L162 | S156-E158 PolarHBondContact O-N 2.9Å; E158-V160 VanDerWaalsContact C-N 3.3Å; E158-V160 PolarHBondContact O-N 3.49Å; E158-A161 PolarHBondContact O-N 2.97Å; E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 VanDerWaalsContact O-CG 3.27Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.37Å |
| 159 | D | 89.9 | Confident | 91.2 | Very high | 70 Ų | 70 | 112.2 Ų | 112.2 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.8 | -37.5 | 177.5 | -71 | -40.6 | 0 | 0 | 0 | 111.2 | P155 S156 D157 R163 | P155-D159 HydrophobicContact CB-CB 4.24Å; S156-D159 PolarHBondContact N-OD2 2.99Å; S156-D159 WeakPolarHBondContact O-CA 3.49Å; S156-D159 VanDerWaalsContact O-CB 3.32Å; S156-D159 WeakPolarHBondContact O-CB 3.42Å; S156-D159 PolarHBondContact O-N 3.45Å; D157-D159 PolarHBondContact O-N 2.9Å; D159-R163 VanDerWaalsContact O-CB 3.27Å; D159-R163 WeakPolarHBondContact O-CB 3.44Å; D159-R163 PolarHBondContact O-N 3.49Å |
| 160 | V | 93.1 | Very high | 91.6 | Very high | 74 Ų | 74 | 117.4 Ų | 117.4 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.3 | -47.7 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | P155 S156 D157 E158 L162 R163 A164 | P155-V160 HydrophobicContact CB-CG2 4.07Å; P155-V160 HydrophobicContact CG-CG2 4.21Å; S156-V160 PolarHBondContact O-N 3.32Å; D157-V160 PolarHBondContact O-N 3.21Å; E158-V160 VanDerWaalsContact C-N 3.3Å; E158-V160 PolarHBondContact O-N 3.49Å; V160-L162 PolarHBondContact O-N 3.37Å; V160-R163 WeakPolarHBondContact O-CB 3.32Å; V160-R163 PolarHBondContact O-N 2.75Å; V160-A164 PolarHBondContact O-N 3.35Å |
| 161 | A | 94.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 113.2 Ų | 113.2 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | D157 E158 R163 A164 A165 | D157-A161 PolarHBondContact O-N 3.4Å; E158-A161 PolarHBondContact O-N 2.97Å; A161-R163 VanDerWaalsContact C-N 3.3Å; A161-R163 PolarHBondContact O-N 3.38Å; A161-A164 PolarHBondContact O-N 3.36Å; A161-A165 PolarHBondContact O-N 2.93Å |
| 162 | L | 94.8 | Very high | 92.8 | Very high | 91 Ų | 91 | 109.9 Ų | 109.9 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.8 | -74 | 172 | 0 | 0 | 0 | 112.1 | E158 V160 R166 | E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 VanDerWaalsContact O-CG 3.27Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.37Å; V160-L162 PolarHBondContact O-N 3.37Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.37Å; L162-R166 PolarHBondContact O-N 2.7Å |
| 163 | R | 93 | Very high | 93.6 | Very high | 149 Ų | 149 | 109 Ų | 109 | 56% | 0.562 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 176.4 | -171.6 | 179.9 | -61.6 | 179.9 | 2.1 | 111.3 | D159 V160 A161 R166 I167 | D159-R163 VanDerWaalsContact O-CB 3.27Å; D159-R163 WeakPolarHBondContact O-CB 3.44Å; D159-R163 PolarHBondContact O-N 3.49Å; V160-R163 WeakPolarHBondContact O-CB 3.32Å; V160-R163 PolarHBondContact O-N 2.75Å; A161-R163 VanDerWaalsContact C-N 3.3Å; A161-R163 PolarHBondContact O-N 3.38Å; R163-R166 PolarHBondContact O-N 2.82Å; R163-I167 HydrophobicContact CG-CD1 4.31Å; R163-I167 WeakPolarHBondContact O-CG1 3.13Å; R163-I167 PolarHBondContact O-N 2.94Å; R163-I167 VanDerWaalsContact O-N 3.14Å |
| 164 | A | 95.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 105.8 Ų | 105.8 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V160 A161 R166 I167 E168 | V160-A164 PolarHBondContact O-N 3.35Å; A161-A164 PolarHBondContact O-N 3.36Å; A164-R166 VanDerWaalsContact C-N 3.31Å; A164-R166 PolarHBondContact O-N 2.95Å; A164-I167 WeakPolarHBondContact O-CB 3.28Å; A164-I167 PolarHBondContact O-N 2.75Å; A164-E168 PolarHBondContact O-N 3.45Å |
| 165 | A | 96.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 102.4 Ų | 102.4 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A161 E168 K169 | A161-A165 PolarHBondContact O-N 2.93Å; A165-E168 PolarHBondContact O-N 2.97Å; A165-K169 WeakPolarHBondContact O-CB 3.44Å; A165-K169 PolarHBondContact O-N 2.84Å |
| 166 | R | 96.8 | Very high | 95.4 | Very high | 171 Ų | 171 | 106.8 Ų | 106.8 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 175.3 | -75.6 | 173.8 | -174 | 163.6 | 4.7 | 112.3 | L162 R163 A164 R170 | L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.37Å; L162-R166 PolarHBondContact O-N 2.7Å; R163-R166 PolarHBondContact O-N 2.82Å; A164-R166 VanDerWaalsContact C-N 3.31Å; A164-R166 PolarHBondContact O-N 2.95Å; R166-R170 WeakPolarHBondContact O-CB 3.14Å; R166-R170 PolarHBondContact O-N 2.96Å |
| 167 | I | 96.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 109.8 Ų | 109.8 | 40% | 0.395 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 178.2 | -68.4 | 166.5 | 0 | 0 | 0 | 110.2 | R163 A164 K169 R170 N171 | R163-I167 HydrophobicContact CG-CD1 4.31Å; R163-I167 WeakPolarHBondContact O-CG1 3.13Å; R163-I167 PolarHBondContact O-N 2.94Å; R163-I167 VanDerWaalsContact O-N 3.14Å; A164-I167 WeakPolarHBondContact O-CB 3.28Å; A164-I167 PolarHBondContact O-N 2.75Å; I167-K169 PolarHBondContact O-N 2.84Å; I167-R170 PolarHBondContact O-N 3.23Å; I167-N171 WeakPolarHBondContact O-CB 3.3Å; I167-N171 PolarHBondContact O-N 2.93Å |
| 168 | E | 97.2 | Very high | 96 | Very high | 108 Ų | 108 | 110 Ų | 110 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 177 | -72.1 | -172.3 | -172.6 | 0 | 0 | 112.3 | A164 A165 R170 N171 K172 | A164-E168 PolarHBondContact O-N 3.45Å; A165-E168 PolarHBondContact O-N 2.97Å; E168-R170 VanDerWaalsContact C-N 3.35Å; E168-R170 PolarHBondContact O-N 2.93Å; E168-N171 PolarHBondContact O-N 2.86Å; E168-K172 WeakPolarHBondContact O-CG 3.31Å; E168-K172 PolarHBondContact O-N 3.03Å; E168-K172 IonicContact OE2-NZ 3.96Å |
| 169 | K | 97.4 | Very high | 96.2 | Very high | 145 Ų | 145 | 110.7 Ų | 110.7 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.9 | -48 | 176.9 | -174.6 | 176.3 | 179.4 | 177.7 | 0 | 111.1 | A165 I167 N171 K172 E173 | A165-K169 WeakPolarHBondContact O-CB 3.44Å; A165-K169 PolarHBondContact O-N 2.84Å; I167-K169 PolarHBondContact O-N 2.84Å; K169-N171 VanDerWaalsContact C-N 3.31Å; K169-N171 PolarHBondContact O-N 3.46Å; K169-K172 PolarHBondContact O-N 3.47Å; K169-E173 PolarHBondContact O-N 2.81Å |
| 170 | R | 97.1 | Very high | 96.6 | Very high | 168 Ų | 168 | 111.6 Ų | 111.6 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.3 | -41.2 | 176.9 | -170.5 | -171.7 | -64.2 | 138 | -2.4 | 111.9 | R166 I167 E168 E173 R174 | R166-R170 WeakPolarHBondContact O-CB 3.14Å; R166-R170 PolarHBondContact O-N 2.96Å; I167-R170 PolarHBondContact O-N 3.23Å; E168-R170 VanDerWaalsContact C-N 3.35Å; E168-R170 PolarHBondContact O-N 2.93Å; R170-E173 PolarHBondContact O-N 2.83Å; R170-R174 WeakPolarHBondContact O-CB 3.37Å; R170-R174 PolarHBondContact O-N 2.72Å |
| 171 | N | 97.7 | Very high | 96.8 | Very high | 72 Ų | 72 | 113.1 Ų | 113.1 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 178.5 | -75.7 | -20.1 | 0 | 0 | 0 | 112.3 | I167 E168 K169 R174 L175 | I167-N171 WeakPolarHBondContact O-CB 3.3Å; I167-N171 PolarHBondContact O-N 2.93Å; E168-N171 PolarHBondContact O-N 2.86Å; K169-N171 VanDerWaalsContact C-N 3.31Å; K169-N171 PolarHBondContact O-N 3.46Å; N171-R174 PolarHBondContact O-N 3Å; N171-L175 WeakPolarHBondContact O-CG 3.34Å; N171-L175 PolarHBondContact O-N 3.4Å |
| 172 | K | 97.5 | Very high | 96.9 | Very high | 139 Ų | 139 | 113.8 Ų | 113.8 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 174.9 | -73 | 172.2 | -179.2 | 168.4 | 0 | 111.1 | E168 K169 R174 L175 R176 | E168-K172 WeakPolarHBondContact O-CG 3.31Å; E168-K172 PolarHBondContact O-N 3.03Å; E168-K172 IonicContact OE2-NZ 3.96Å; K169-K172 PolarHBondContact O-N 3.47Å; K172-R174 PolarHBondContact O-N 2.89Å; K172-L175 PolarHBondContact O-N 3.12Å; K172-R176 WeakPolarHBondContact O-CB 3.17Å; K172-R176 PolarHBondContact O-N 2.52Å |
| 173 | E | 97.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 113.2 Ų | 113.2 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 177 | -155.3 | 79.4 | -131 | 0 | 0 | 111.4 | K169 R170 L175 R176 Q177 | K169-E173 PolarHBondContact O-N 2.81Å; R170-E173 PolarHBondContact O-N 2.83Å; E173-L175 PolarHBondContact O-N 3.39Å; E173-R176 WeakPolarHBondContact O-CB 3.5Å; E173-R176 PolarHBondContact O-N 3.43Å; E173-Q177 WeakPolarHBondContact O-CG 3.48Å; E173-Q177 PolarHBondContact O-N 3.33Å |
| 174 | R | 97.3 | Very high | 97.1 | Very high | 145 Ų | 145 | 108.6 Ų | 108.6 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.2 | -175 | -174.3 | 69.9 | 101.1 | -0.7 | 112.1 | R170 N171 K172 Q177 K178 | R170-R174 WeakPolarHBondContact O-CB 3.37Å; R170-R174 PolarHBondContact O-N 2.72Å; N171-R174 PolarHBondContact O-N 3Å; K172-R174 PolarHBondContact O-N 2.89Å; R174-Q177 PolarHBondContact O-N 3.49Å; R174-K178 PolarHBondContact O-N 3.21Å |
| 175 | L | 97.8 | Very high | 97 | Very high | 88 Ų | 88 | 113.3 Ų | 113.3 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.1 | -72.7 | 174.5 | 0 | 0 | 0 | 111.6 | N171 K172 E173 K178 K179 | N171-L175 WeakPolarHBondContact O-CG 3.34Å; N171-L175 PolarHBondContact O-N 3.4Å; K172-L175 PolarHBondContact O-N 3.12Å; E173-L175 PolarHBondContact O-N 3.39Å; L175-K178 PolarHBondContact O-N 2.76Å; L175-K179 WeakPolarHBondContact O-CG 3.2Å; L175-K179 PolarHBondContact O-N 3.46Å |
| 176 | R | 97.9 | Very high | 96.9 | Very high | 161 Ų | 161 | 115.4 Ų | 115.4 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 174.7 | -174 | -175 | -178.8 | -173.1 | 3.2 | 111 | K172 E173 K178 K179 I180 | K172-R176 WeakPolarHBondContact O-CB 3.17Å; K172-R176 PolarHBondContact O-N 2.52Å; E173-R176 WeakPolarHBondContact O-CB 3.5Å; E173-R176 PolarHBondContact O-N 3.43Å; R176-K178 VanDerWaalsContact C-N 3.35Å; R176-K178 PolarHBondContact O-N 2.8Å; R176-K179 PolarHBondContact O-N 2.85Å; R176-I180 HydrophobicContact CG-CD1 4.03Å; R176-I180 WeakPolarHBondContact O-CG1 3.2Å; R176-I180 PolarHBondContact O-N 2.96Å |
| 177 | Q | 97.7 | Very high | 96.7 | Very high | 111 Ų | 111 | 111.7 Ų | 111.7 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 176 | -73.1 | 176.9 | -7.5 | 0 | 0 | 111.7 | E173 R174 K179 I180 L181 | E173-Q177 WeakPolarHBondContact O-CG 3.48Å; E173-Q177 PolarHBondContact O-N 3.33Å; R174-Q177 PolarHBondContact O-N 3.49Å; Q177-K179 VanDerWaalsContact C-N 3.32Å; Q177-K179 PolarHBondContact O-N 2.98Å; Q177-I180 PolarHBondContact O-N 2.94Å; Q177-L181 WeakPolarHBondContact O-CB 3.34Å; Q177-L181 VanDerWaalsContact O-CG 3.28Å; Q177-L181 WeakPolarHBondContact O-CG 3.24Å; Q177-L181 PolarHBondContact O-N 2.76Å |
| 178 | K | 97.5 | Very high | 96.4 | Very high | 147 Ų | 147 | 116.9 Ų | 116.9 | 64% | 0.639 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59 | -42.1 | 176.6 | -172.3 | 178.7 | 177.7 | -177.2 | 0 | 112.1 | R174 L175 R176 S182 | R174-K178 PolarHBondContact O-N 3.21Å; L175-K178 PolarHBondContact O-N 2.76Å; R176-K178 VanDerWaalsContact C-N 3.35Å; R176-K178 PolarHBondContact O-N 2.8Å; K178-S182 WeakPolarHBondContact O-CB 3.13Å; K178-S182 PolarHBondContact O-N 3.39Å |
| 179 | K | 97.4 | Very high | 96 | Very high | 161 Ų | 161 | 120.1 Ų | 120.1 | 70% | 0.7 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -46.6 | 176.6 | -72.7 | -179.1 | 179.2 | -172.6 | 0 | 111.8 | L175 R176 Q177 L181 S182 S183 | L175-K179 WeakPolarHBondContact O-CG 3.2Å; L175-K179 PolarHBondContact O-N 3.46Å; R176-K179 PolarHBondContact O-N 2.85Å; Q177-K179 VanDerWaalsContact C-N 3.32Å; Q177-K179 PolarHBondContact O-N 2.98Å; K179-L181 PolarHBondContact O-N 3.2Å; K179-S182 WeakPolarHBondContact O-CB 3.27Å; K179-S182 PolarHBondContact O-N 3.19Å; K179-S183 PolarHBondContact O-N 2.7Å |
| 180 | I | 97.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 118.4 Ų | 118.4 | 46% | 0.456 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.5 | -50.3 | 177.2 | -67.1 | 165.3 | 0 | 0 | 0 | 110 | R176 Q177 S182 S183 V184 | R176-I180 HydrophobicContact CG-CD1 4.03Å; R176-I180 WeakPolarHBondContact O-CG1 3.2Å; R176-I180 PolarHBondContact O-N 2.96Å; Q177-I180 PolarHBondContact O-N 2.94Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 2.76Å; I180-S183 PolarHBondContact O-N 3.27Å; I180-V184 HydrophobicContact CG2-CG2 4.35Å; I180-V184 VanDerWaalsContact O-CG2 3.3Å; I180-V184 WeakPolarHBondContact O-CG2 3.46Å; I180-V184 PolarHBondContact O-N 3.3Å |
| 181 | L | 97.1 | Very high | 94.6 | Very high | 107 Ų | 107 | 117 Ų | 117 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -38.3 | 179.3 | -67.8 | 173.8 | 0 | 0 | 0 | 112.3 | Q177 K179 K185 | Q177-L181 WeakPolarHBondContact O-CB 3.34Å; Q177-L181 VanDerWaalsContact O-CG 3.28Å; Q177-L181 WeakPolarHBondContact O-CG 3.24Å; Q177-L181 PolarHBondContact O-N 2.76Å; K179-L181 PolarHBondContact O-N 3.2Å; L181-K185 WeakPolarHBondContact O-CB 3.26Å; L181-K185 VanDerWaalsContact O-CG 3.28Å; L181-K185 WeakPolarHBondContact O-CG 3.35Å; L181-K185 PolarHBondContact O-N 2.9Å |
| 182 | S | 96.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 122.7 Ų | 122.7 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.5 | -46.5 | 174.8 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | K178 K179 I180 K185 N186 | K178-S182 WeakPolarHBondContact O-CB 3.13Å; K178-S182 PolarHBondContact O-N 3.39Å; K179-S182 WeakPolarHBondContact O-CB 3.27Å; K179-S182 PolarHBondContact O-N 3.19Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 2.76Å; S182-K185 PolarHBondContact O-N 3.38Å; S182-N186 PolarHBondContact O-N 3.39Å |
| 183 | S | 96.1 | Very high | 92.1 | Very high | 79 Ų | 79 | 127.1 Ų | 127.1 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.9 | -45.7 | 178.3 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | K179 I180 K185 N186 S187 | K179-S183 PolarHBondContact O-N 2.7Å; I180-S183 PolarHBondContact O-N 3.27Å; S183-K185 VanDerWaalsContact C-N 3.32Å; S183-K185 PolarHBondContact O-N 3.01Å; S183-N186 PolarHBondContact O-N 3.39Å; S183-S187 PolarHBondContact O-N 3.4Å; S183-S187 PolarHBondContact O-OG 3.07Å |
| 184 | V | 96.2 | Very high | 91.9 | Very high | 52 Ų | 52 | 129.2 Ų | 129.2 | 32% | 0.315 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.8 | -36.3 | 177.9 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | I180 S187 R188 | I180-V184 HydrophobicContact CG2-CG2 4.35Å; I180-V184 VanDerWaalsContact O-CG2 3.3Å; I180-V184 WeakPolarHBondContact O-CG2 3.46Å; I180-V184 PolarHBondContact O-N 3.3Å; V184-S187 PolarHBondContact O-OG 3.43Å; V184-R188 VanDerWaalsContact O-CG 3.28Å; V184-R188 WeakPolarHBondContact O-CG 3.44Å; V184-R188 PolarHBondContact O-N 3.4Å |
| 185 | K | 93.8 | Very high | 91.6 | Very high | 145 Ų | 145 | 128.4 Ų | 128.4 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.9 | -39.4 | 174.5 | -75.6 | 176.5 | -178.4 | -171.8 | 0 | 111.6 | L181 S182 S183 R188 | L181-K185 WeakPolarHBondContact O-CB 3.26Å; L181-K185 VanDerWaalsContact O-CG 3.28Å; L181-K185 WeakPolarHBondContact O-CG 3.35Å; L181-K185 PolarHBondContact O-N 2.9Å; S182-K185 PolarHBondContact O-N 3.38Å; S183-K185 VanDerWaalsContact C-N 3.32Å; S183-K185 PolarHBondContact O-N 3.01Å; K185-R188 PolarHBondContact O-N 3.26Å |
| 186 | N | 94.1 | Very high | 91.2 | Very high | 98 Ų | 98 | 130.6 Ų | 130.6 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.7 | -42.8 | 179 | -158.2 | 52.5 | 0 | 0 | 0 | 111.6 | S182 S183 R188 R189 | S182-N186 PolarHBondContact O-N 3.39Å; S183-N186 PolarHBondContact O-N 3.39Å; N186-R188 PolarHBondContact O-N 3.31Å; N186-R188 VanDerWaalsContact O-N 3.16Å; N186-R189 WeakPolarHBondContact O-CB 3.14Å; N186-R189 PolarHBondContact O-N 2.97Å; N186-R189 PolarHBondContact OD1-NH1 3.34Å |
| 187 | S | 92.5 | Very high | 90.8 | Very high | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -14.7 | 178.8 | 70 | 0 | 0 | 0 | 0 | 114.3 | S183 V184 | S183-S187 PolarHBondContact O-N 3.4Å; S183-S187 PolarHBondContact O-OG 3.07Å; V184-S187 PolarHBondContact O-OG 3.43Å |
| 188 | R | 90.1 | Very high | 90.4 | Very high | 185 Ų | 185 | 129.9 Ų | 129.9 | 70% | 0.698 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -7.5 | 175.3 | -69.2 | 174.1 | -162.1 | -179 | 1.5 | 113.1 | V184 K185 N186 V190 | V184-R188 VanDerWaalsContact O-CG 3.28Å; V184-R188 WeakPolarHBondContact O-CG 3.44Å; V184-R188 PolarHBondContact O-N 3.4Å; K185-R188 PolarHBondContact O-N 3.26Å; N186-R188 PolarHBondContact O-N 3.31Å; N186-R188 VanDerWaalsContact O-N 3.16Å; R188-V190 PolarHBondContact O-N 3.28Å |
| 189 | R | 89.3 | Confident | 89.9 | Confident | 177 Ų | 177 | 128.8 Ų | 128.8 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 131 | 173.7 | -73.9 | -173.3 | 166.9 | 118.8 | -5 | 108.2 | N186 | N186-R189 WeakPolarHBondContact O-CB 3.14Å; N186-R189 PolarHBondContact O-N 2.97Å; N186-R189 PolarHBondContact OD1-NH1 3.34Å |
| 190 | V | 85.6 | Confident | 89.4 | Confident | 108 Ų | 108 | 126.5 Ų | 126.5 | 66% | 0.655 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 120.8 | 170.2 | -170 | 0 | 0 | 0 | 0 | 105.1 | R188 F192 | R188-V190 PolarHBondContact O-N 3.28Å; V190-F192 HydrophobicContact CB-CE2 4.22Å; V190-F192 HydrophobicContact CG1-CE2 4.37Å |
| 191 | D | 79.5 | Confident | 88.8 | Confident | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 125.1 | 173.7 | -66.6 | -39.9 | 0 | 0 | 0 | 107.8 | ||
| 192 | F | 76.3 | Confident | 88.1 | Confident | 193 Ų | 193 | 131.3 Ų | 131.3 | 85% | 0.846 | 67% | 0.67 | S | S | * | * | trans | -103.2 | 96 | 172.4 | -76.7 | -88.8 | 0 | 0 | 0 | 106.4 | V190 | V190-F192 HydrophobicContact CB-CE2 4.22Å; V190-F192 HydrophobicContact CG1-CE2 4.37Å | ||
| 193 | D | 66.9 | Low | 87.3 | Confident | 231 Ų | 231 | 136.4 Ų | 136.4 | 100% | 1.235 | 68% | 0.684 | S | S | * | * | trans | -77.7 | 0 | 168.6 | -72.4 | -31.2 | 0 | 0 | 0 | 111.3 |
Retrieved 193 of 193 residues in 341.5 ms
(Link to these results)