| 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 | 36.6 | Very low | 43.7 | Very low | 237 Ų | 237 | 141.7 Ų | 141.7 | 100% | 1.167 | 83% | 0.826 | S | S | * | * | 0 | 113.9 | 0 | -61 | 170 | 179.4 | 0 | 0 | 104.7 | |||||
| 2 | T | 41.6 | Very low | 43 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | cis | -171.4 | 147.6 | 19.8 | -14.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | E | 40.9 | Very low | 43.5 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 51.6 | 121.7 | 149.7 | -75.8 | 165.6 | 106.5 | 0 | 0 | 120.8 | ||||
| 4 | A | 44.6 | Very low | 43.3 | Very low | 91 Ų | 91 | 149.4 Ų | 149.4 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | 86.5 | 126.6 | 57.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 5 | S | 47.1 | Very low | 43.4 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | 74.8 | 117 | 148.2 | -153.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 6 | A | 46.5 | Very low | 43.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | -169.6 | 112.8 | 122.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 7 | A | 43.1 | Very low | 42.9 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -79 | 150.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | H | 44.4 | Very low | 42.8 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -171.3 | 107.4 | 142.6 | -114.8 | -93.7 | 0 | 0 | 0 | 111.8 | ||||
| 9 | D | 42.2 | Very low | 42.9 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | 11.8 | 124.6 | 136 | -118.9 | -53.4 | 0 | 0 | 0 | 120.1 | ||||
| 10 | V | 51.4 | Low | 42.7 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -146.5 | 109.3 | 136.9 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | H | 42.2 | Very low | 42.4 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -64.9 | 150.9 | 168.7 | -142 | -66.3 | 0 | 0 | 0 | 112.8 | ||||
| 12 | N | 35.8 | Very low | 42.5 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | trans | 76.7 | 114.5 | 143.1 | -144.4 | -0.5 | 0 | 0 | 0 | 120 | K14 | N12-K14 PolarHBondContact OD1-N 3.44Š| ||
| 13 | R | 48.8 | Very low | 42.5 | Very low | 254 Ų | 254 | 142.3 Ų | 142.3 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -129.8 | 94.8 | 143.6 | -90.4 | -156.8 | -103.3 | -160.7 | -3.9 | 110.5 | ||||
| 14 | K | 40.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 70% | 0.7 | 79% | 0.792 | S | S | * | * | trans | -78.4 | 123 | 158.4 | -164.6 | 166.9 | -174.1 | 177.3 | 0 | 107.5 | N12 | N12-K14 PolarHBondContact OD1-N 3.44Š| ||
| 15 | A | 45 | Very low | 42.1 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -97 | 104.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 16 | D | 39.2 | Very low | 41.6 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -90.6 | 127 | 163.6 | -85 | -68.8 | 0 | 0 | 0 | 108.4 | ||||
| 17 | V | 39.5 | Very low | 41 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -135.1 | 118.6 | 155.6 | 174.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 18 | Q | 40.2 | Very low | 40.7 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 167 | -175.6 | -122.3 | -130 | -0.3 | 0 | 0 | 112.4 | ||||
| 19 | P | 45.8 | Very low | 40.3 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -94.3 | 160.5 | -166.9 | 38.4 | -32.2 | 0 | 0 | 0 | 113.7 | ||||
| 20 | S | 37.8 | Very low | 40.6 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -122.1 | 114.5 | 163 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 21 | L | 37.1 | Very low | 40.1 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | 62.3 | 89.5 | 91.3 | -96.8 | 159 | 0 | 0 | 0 | 113.1 | |||||
| 22 | F | 38.1 | Very low | 39.7 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -131.5 | 101 | 146.2 | -107 | -85.3 | 0 | 0 | 0 | 110.1 | ||||
| 23 | T | 41.7 | Very low | 40.1 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -11.8 | 142.9 | 159.8 | -30.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 24 | N | 39.8 | Very low | 39.8 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 154.3 | 175.5 | -57.6 | -60.8 | 0 | 0 | 0 | 115.6 | ||||
| 25 | A | 38.1 | Very low | 39.7 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -151.9 | 104.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 26 | F | 35.6 | Very low | 39.8 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | 59.2 | 93.2 | 92.4 | -118.2 | -93.2 | 0 | 0 | 0 | 113.7 | |||||
| 27 | F | 33.6 | Very low | 39.8 | Very low | 216 Ų | 216 | 134.9 Ų | 134.9 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -151.4 | 124.6 | 139.3 | -121.5 | -87.3 | 0 | 0 | 0 | 109.9 | ||||
| 28 | S | 37.3 | Very low | 40.2 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 140 | -175.3 | -60 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 29 | S | 37.1 | Very low | 40.2 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 60.3 | 154.4 | 138.2 | -62.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 30 | P | 47.9 | Very low | 40.1 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | cis | -133.7 | 166.3 | 28.4 | 36.1 | -15.1 | 0 | 0 | 0 | 118 | ||||
| 31 | L | 41.5 | Very low | 40.2 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -41 | 137.6 | 170.5 | -95.4 | 64.7 | 0 | 0 | 0 | 114.8 | ||||
| 32 | L | 32.7 | Very low | 40.6 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -129.7 | 136.4 | 152.3 | -141.9 | 73.3 | 0 | 0 | 0 | 108.5 | T34 | L32-T34 PolarHBondContact O-N 2.86Š| ||
| 33 | P | 43.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -82.7 | 105.2 | -170.5 | 31.7 | -28.2 | 0 | 0 | 0 | 109.4 | G35 | P33-G35 VanDerWaalsContact C-N 3.27Å; P33-G35 PolarHBondContact O-N 2.87Å | ||
| 34 | T | 43.3 | Very low | 41.5 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -74 | 90.3 | 163.1 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | L32 G36 | L32-T34 PolarHBondContact O-N 2.86Å; T34-G36 PolarHBondContact O-N 3.37Å; T34-G36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | G | 38.5 | Very low | 42.3 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -52.9 | 115.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P33 T37 | P33-G35 VanDerWaalsContact C-N 3.27Å; P33-G35 PolarHBondContact O-N 2.87Å; G35-T37 PolarHBondContact O-N 3.43Å | ||
| 36 | G | 47.8 | Very low | 43.3 | Very low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 112.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T34 | T34-G36 PolarHBondContact O-N 3.37Å; T34-G36 VanDerWaalsContact O-N 3.14Å | ||
| 37 | T | 39.8 | Very low | 44.5 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | trans | -88.3 | 99.3 | 145.6 | 47 | 0 | 0 | 0 | 0 | 107.2 | G35 F39 | G35-T37 PolarHBondContact O-N 3.43Å; T37-F39 PolarHBondContact O-N 3.13Å | ||
| 38 | M | 46.9 | Very low | 46.1 | Very low | 189 Ų | 189 | 107.2 Ų | 107.2 | 93% | 0.931 | 68% | 0.68 | S | S | * | * | trans | -64.6 | 79.7 | 161.5 | -80.9 | -155.3 | -75.4 | 0 | 0 | 108.9 | G40 | M38-G40 PolarHBondContact O-N 3.3Š| ||
| 39 | F | 40.5 | Very low | 47.5 | Very low | 159 Ų | 159 | 110.6 Ų | 110.6 | 70% | 0.697 | 68% | 0.684 | S | S | * | * | trans | -85.7 | 81.2 | 153.4 | -81.3 | -75.1 | 0 | 0 | 0 | 107 | T37 F41 | T37-F39 PolarHBondContact O-N 3.13Å; F39-F41 HydrophobicContact CB-CD2 4.27Å; F39-F41 HydrophobicContact CD1-CD2 4.38Å; F39-F41 HydrophobicContact CD1-CE2 4.22Å; F39-F41 PolarHBondContact O-N 3.11Å | ||
| 40 | G | 43 | Very low | 49.1 | Very low | 74 Ų | 74 | 107 Ų | 107 | 76% | 0.763 | 66% | 0.66 | S | S | * | * | trans | -67.2 | 71 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M38 S42 | M38-G40 PolarHBondContact O-N 3.3Å; G40-S42 PolarHBondContact O-N 3.12Å | ||
| 41 | F | 41.2 | Very low | 50.4 | Low | 158 Ų | 158 | 106.4 Ų | 106.4 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | trans | -66.3 | 92.1 | 158.6 | -100.2 | -89.1 | 0 | 0 | 0 | 105.5 | F39 T43 | F39-F41 HydrophobicContact CB-CD2 4.27Å; F39-F41 HydrophobicContact CD1-CD2 4.38Å; F39-F41 HydrophobicContact CD1-CE2 4.22Å; F39-F41 PolarHBondContact O-N 3.11Å; F41-T43 HydrophobicContact CB-CG2 4.2Å; F41-T43 HydrophobicContact CD1-CG2 3.94Å; F41-T43 PolarHBondContact O-N 3.16Å | ||
| 42 | S | 44 | Very low | 52.3 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | trans | -67.6 | 62.4 | 159.3 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | G40 S44 | G40-S42 PolarHBondContact O-N 3.12Å; S42-S44 VanDerWaalsContact C-N 3.26Å; S42-S44 PolarHBondContact O-N 2.75Å | ||
| 43 | T | 43.8 | Very low | 54.2 | Low | 82 Ų | 82 | 100.4 Ų | 100.4 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -64.8 | 100 | 163.4 | 45.4 | 0 | 0 | 0 | 0 | 104.5 | F41 S47 | F41-T43 HydrophobicContact CB-CG2 4.2Å; F41-T43 HydrophobicContact CD1-CG2 3.94Å; F41-T43 PolarHBondContact O-N 3.16Å; T43-S47 WeakPolarHBondContact CB-OG 3.4Å | ||
| 44 | S | 55 | Low | 55.8 | Low | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 60% | 0.596 | S | S | . | * | trans | -46.3 | 135.7 | 166.1 | 53.3 | 0 | 0 | 0 | 0 | 107.2 | S42 S46 S47 | S42-S44 VanDerWaalsContact C-N 3.26Å; S42-S44 PolarHBondContact O-N 2.75Å; S44-S46 PolarHBondContact O-N 2.92Å; S44-S47 PolarHBondContact O-N 3.32Å; S44-S47 PolarHBondContact O-OG 3.39Å | ||
| 45 | P | 56.8 | Low | 57.7 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 63% | 0.63 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -51.9 | -28.9 | -177.4 | 16.1 | -28.9 | 0 | 0 | 0 | 111.6 | S47 A48 F49 | P45-S47 VanDerWaalsContact C-N 3.31Å; P45-S47 PolarHBondContact O-N 3.44Å; P45-A48 PolarHBondContact O-N 3.21Å; P45-F49 WeakPolarHBondContact O-CD2 3.43Å; P45-F49 PolarHBondContact O-N 3.45Å |
| 46 | S | 58.8 | Low | 59.6 | Low | 62 Ų | 62 | 96.5 Ų | 96.5 | 43% | 0.434 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -54.8 | -35.2 | 172.1 | -47.9 | 0 | 0 | 0 | 0 | 115.3 | S44 A50 | S44-S46 PolarHBondContact O-N 2.92Å; S46-A50 WeakPolarHBondContact O-CB 3.44Å; S46-A50 PolarHBondContact O-N 3.3Å |
| 47 | S | 60.6 | Low | 61.2 | Low | 39 Ų | 39 | 95.2 Ų | 95.2 | 27% | 0.273 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74.1 | -38.3 | -177.8 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | T43 S44 P45 A50 L51 | T43-S47 WeakPolarHBondContact CB-OG 3.4Å; S44-S47 PolarHBondContact O-N 3.32Å; S44-S47 PolarHBondContact O-OG 3.39Å; P45-S47 VanDerWaalsContact C-N 3.31Å; P45-S47 PolarHBondContact O-N 3.44Å; S47-A50 PolarHBondContact O-N 3Å; S47-L51 VanDerWaalsContact O-CG 3.31Å; S47-L51 WeakPolarHBondContact O-CG 3.3Å; S47-L51 PolarHBondContact O-N 3.19Å |
| 48 | A | 67.3 | Low | 63.2 | Low | 44 Ų | 44 | 94.3 Ų | 94.3 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P45 L51 F52 | P45-A48 PolarHBondContact O-N 3.21Å; A48-L51 PolarHBondContact O-N 3.3Å; A48-F52 WeakPolarHBondContact O-CD2 3.29Å; A48-F52 PolarHBondContact O-N 3.02Å |
| 49 | F | 67.8 | Low | 64.8 | Low | 159 Ų | 159 | 90.3 Ų | 90.3 | 70% | 0.697 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 175.5 | -80 | -73.8 | 0 | 0 | 0 | 112.4 | P45 F52 F53 | P45-F49 WeakPolarHBondContact O-CD2 3.43Å; P45-F49 PolarHBondContact O-N 3.45Å; F49-F52 PolarHBondContact O-N 3.29Å; F49-F53 VanDerWaalsContact O-CB 3.28Å; F49-F53 WeakPolarHBondContact O-CB 3.48Å; F49-F53 PolarHBondContact O-N 3Å |
| 50 | A | 70 | Confident | 66.7 | Low | 33 Ų | 33 | 87.2 Ų | 87.2 | 27% | 0.273 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S46 S47 F53 N54 | S46-A50 WeakPolarHBondContact O-CB 3.44Å; S46-A50 PolarHBondContact O-N 3.3Å; S47-A50 PolarHBondContact O-N 3Å; A50-F53 PolarHBondContact O-N 3.19Å; A50-N54 WeakPolarHBondContact O-CB 2.99Å; A50-N54 PolarHBondContact O-N 3.22Å; A50-N54 PolarHBondContact O-ND2 2.63Å |
| 51 | L | 75.8 | Confident | 68.1 | Low | 112 Ų | 112 | 90.9 Ų | 90.9 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -46.5 | 177 | -71.3 | 172.2 | 0 | 0 | 0 | 111.6 | S47 A48 F53 N54 I55 | S47-L51 VanDerWaalsContact O-CG 3.31Å; S47-L51 WeakPolarHBondContact O-CG 3.3Å; S47-L51 PolarHBondContact O-N 3.19Å; A48-L51 PolarHBondContact O-N 3.3Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 2.03Å; L51-N54 PolarHBondContact O-N 2.9Å; L51-I55 WeakPolarHBondContact O-CB 3.02Å; L51-I55 WeakPolarHBondContact O-CD1 3.05Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.26Å |
| 52 | F | 80.4 | Confident | 69.7 | Low | 147 Ų | 147 | 88.2 Ų | 88.2 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.6 | -42.7 | 174.8 | -97.9 | -83.5 | 0 | 0 | 0 | 112.1 | A48 F49 I55 C56 | A48-F52 WeakPolarHBondContact O-CD2 3.29Å; A48-F52 PolarHBondContact O-N 3.02Å; F49-F52 PolarHBondContact O-N 3.29Å; F52-I55 PolarHBondContact O-N 2.01Å; F52-C56 WeakPolarHBondContact O-CB 3.28Å; F52-C56 PolarHBondContact O-N 2.92Å; F52-C56 PolarHBondContact O-SG 3.43Å |
| 53 | F | 73.5 | Confident | 70.9 | Confident | 51 Ų | 51 | 85.6 Ų | 85.6 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 179.2 | -167.7 | -95 | 0 | 0 | 0 | 112.4 | F49 A50 L51 C56 V57 I146 A149 | F49-F53 VanDerWaalsContact O-CB 3.28Å; F49-F53 WeakPolarHBondContact O-CB 3.48Å; F49-F53 PolarHBondContact O-N 3Å; A50-F53 PolarHBondContact O-N 3.19Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-F53 PolarHBondContact O-N 2.03Å; F53-C56 PolarHBondContact O-N 2.97Å; F53-V57 HydrophobicContact CD1-CG2 4.18Å; F53-V57 HydrophobicContact CE1-CG2 4Å; F53-V57 VanDerWaalsContact O-CG2 3.28Å; F53-V57 WeakPolarHBondContact O-CG2 3.44Å; F53-V57 PolarHBondContact O-N 3.47Å; F53-I146 HydrophobicContact CE2-CB 4.16Å; F53-I146 HydrophobicContact CE2-CG1 3.71Å; F53-I146 VanDerWaalsContact CZ-CA 3.47Å; F53-I146 HydrophobicContact CZ-CB 3.71Å; F53-I146 HydrophobicContact CZ-CG1 3.56Å; F53-I146 HydrophobicContact CZ-CG2 3.75Å; F53-A149 HydrophobicContact CD2-CB 3.9Å; F53-A149 HydrophobicContact CE2-CB 3.62Å; F53-A149 HydrophobicContact CG-CB 4.44Å; F53-A149 HydrophobicContact CZ-CB 3.93Å |
| 54 | N | 76.6 | Confident | 71.7 | Confident | 93 Ų | 93 | 84.3 Ų | 84.3 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.4 | -80.4 | -79.5 | 0 | 0 | 0 | 111.9 | A50 L51 V57 I58 | A50-N54 WeakPolarHBondContact O-CB 2.99Å; A50-N54 PolarHBondContact O-N 3.22Å; A50-N54 PolarHBondContact O-ND2 2.63Å; L51-N54 PolarHBondContact O-N 2.9Å; N54-V57 PolarHBondContact O-N 2.03Å; N54-I58 WeakPolarHBondContact O-CB 3.34Å; N54-I58 WeakPolarHBondContact O-CD1 3.35Å; N54-I58 WeakPolarHBondContact O-CG1 3.36Å; N54-I58 PolarHBondContact O-N 3.47Å |
| 55 | I | 83.6 | Confident | 72 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.3 | -69.8 | 164.1 | 0 | 0 | 0 | 110.3 | L51 F52 V57 I58 I59 | L51-I55 WeakPolarHBondContact O-CB 3.02Å; L51-I55 WeakPolarHBondContact O-CD1 3.05Å; L51-I55 WeakPolarHBondContact O-CG1 3.36Å; L51-I55 PolarHBondContact O-N 3.26Å; F52-I55 PolarHBondContact O-N 2.01Å; I55-V57 PolarHBondContact O-N 2.8Å; I55-I58 PolarHBondContact O-N 3.27Å; I55-I59 HydrophobicContact CG2-CD1 3.74Å; I55-I59 HydrophobicContact CG2-CG1 4.43Å; I55-I59 VanDerWaalsContact O-CG1 3.25Å; I55-I59 WeakPolarHBondContact O-CG1 3.07Å; I55-I59 PolarHBondContact O-N 3.39Å |
| 56 | C | 78.9 | Confident | 71.9 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 46% | 0.459 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 175.9 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | F52 F53 I59 V60 | F52-C56 WeakPolarHBondContact O-CB 3.28Å; F52-C56 PolarHBondContact O-N 2.92Å; F52-C56 PolarHBondContact O-SG 3.43Å; F53-C56 PolarHBondContact O-N 2.97Å; C56-I59 PolarHBondContact O-N 3.07Å; C56-V60 VanDerWaalsContact O-CG2 3.3Å; C56-V60 WeakPolarHBondContact O-CG2 3.48Å; C56-V60 PolarHBondContact O-N 2.98Å |
| 57 | V | 80.5 | Confident | 71.6 | Confident | 47 Ų | 47 | 88.6 Ų | 88.6 | 29% | 0.285 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 176.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | F53 N54 I55 I59 V60 F61 | F53-V57 HydrophobicContact CD1-CG2 4.18Å; F53-V57 HydrophobicContact CE1-CG2 4Å; F53-V57 VanDerWaalsContact O-CG2 3.28Å; F53-V57 WeakPolarHBondContact O-CG2 3.44Å; F53-V57 PolarHBondContact O-N 3.47Å; N54-V57 PolarHBondContact O-N 2.03Å; I55-V57 PolarHBondContact O-N 2.8Å; V57-I59 PolarHBondContact O-N 2.97Å; V57-V60 PolarHBondContact O-N 2.88Å; V57-F61 HydrophobicContact CG1-CD2 3.62Å; V57-F61 HydrophobicContact CG1-CE2 3.66Å; V57-F61 VanDerWaalsContact O-CD2 3.29Å; V57-F61 WeakPolarHBondContact O-CD2 3.02Å; V57-F61 PolarHBondContact O-N 3Å |
| 58 | I | 81.9 | Confident | 70.7 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.3 | -69.8 | 166.4 | 0 | 0 | 0 | 111 | N54 I55 V60 F61 I62 | N54-I58 WeakPolarHBondContact O-CB 3.34Å; N54-I58 WeakPolarHBondContact O-CD1 3.35Å; N54-I58 WeakPolarHBondContact O-CG1 3.36Å; N54-I58 PolarHBondContact O-N 3.47Å; I55-I58 PolarHBondContact O-N 3.27Å; I58-V60 VanDerWaalsContact C-N 3.34Å; I58-V60 PolarHBondContact O-N 3.26Å; I58-F61 PolarHBondContact O-N 2.87Å; I58-I62 HydrophobicContact CG2-CD1 3.77Å; I58-I62 HydrophobicContact CG2-CG1 4.44Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.42Å; I58-I62 PolarHBondContact O-N 2.82Å |
| 59 | I | 80.9 | Confident | 69.6 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.6 | -68.3 | 167 | 0 | 0 | 0 | 110.9 | I55 C56 V57 I62 A63 | I55-I59 HydrophobicContact CG2-CD1 3.74Å; I55-I59 HydrophobicContact CG2-CG1 4.43Å; I55-I59 VanDerWaalsContact O-CG1 3.25Å; I55-I59 WeakPolarHBondContact O-CG1 3.07Å; I55-I59 PolarHBondContact O-N 3.39Å; C56-I59 PolarHBondContact O-N 3.07Å; V57-I59 PolarHBondContact O-N 2.97Å; I59-I62 PolarHBondContact O-N 2.93Å; I59-A63 WeakPolarHBondContact O-CB 3.37Å; I59-A63 PolarHBondContact O-N 3.47Å |
| 60 | V | 79.9 | Confident | 68.5 | Low | 94 Ų | 94 | 96.4 Ų | 96.4 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | C56 V57 I58 A63 A64 | C56-V60 VanDerWaalsContact O-CG2 3.3Å; C56-V60 WeakPolarHBondContact O-CG2 3.48Å; C56-V60 PolarHBondContact O-N 2.98Å; V57-V60 PolarHBondContact O-N 2.88Å; I58-V60 VanDerWaalsContact C-N 3.34Å; I58-V60 PolarHBondContact O-N 3.26Å; V60-A63 PolarHBondContact O-N 3.34Å; V60-A64 WeakPolarHBondContact O-CB 3.32Å; V60-A64 PolarHBondContact O-N 3.2Å |
| 61 | F | 73.4 | Confident | 67.8 | Low | 152 Ų | 152 | 98.5 Ų | 98.5 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -39.8 | 176.2 | -92.2 | -73.8 | 0 | 0 | 0 | 112.7 | V57 I58 A64 A65 | V57-F61 HydrophobicContact CG1-CD2 3.62Å; V57-F61 HydrophobicContact CG1-CE2 3.66Å; V57-F61 VanDerWaalsContact O-CD2 3.29Å; V57-F61 WeakPolarHBondContact O-CD2 3.02Å; V57-F61 PolarHBondContact O-N 3Å; I58-F61 PolarHBondContact O-N 2.87Å; F61-A64 PolarHBondContact O-N 3.1Å; F61-A65 PolarHBondContact O-N 2.92Å |
| 62 | I | 73.3 | Confident | 66.8 | Low | 102 Ų | 102 | 98.2 Ų | 98.2 | 52% | 0.523 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -44.4 | 174.8 | -66.9 | 167.5 | 0 | 0 | 0 | 110 | I58 I59 A64 A65 | I58-I62 HydrophobicContact CG2-CD1 3.77Å; I58-I62 HydrophobicContact CG2-CG1 4.44Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.42Å; I58-I62 PolarHBondContact O-N 2.82Å; I59-I62 PolarHBondContact O-N 2.93Å; I62-A64 VanDerWaalsContact C-N 3.32Å; I62-A64 PolarHBondContact O-N 2.82Å; I62-A65 WeakPolarHBondContact O-CB 3.34Å; I62-A65 PolarHBondContact O-N 3.39Å; I62-A65 VanDerWaalsContact O-N 3.16Å |
| 63 | A | 69.8 | Low | 65.5 | Low | 62 Ų | 62 | 95.7 Ų | 95.7 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.1 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I59 V60 A65 E66 | I59-A63 WeakPolarHBondContact O-CB 3.37Å; I59-A63 PolarHBondContact O-N 3.47Å; V60-A63 PolarHBondContact O-N 3.34Å; A63-A65 VanDerWaalsContact C-N 3.29Å; A63-A65 PolarHBondContact O-N 3.14Å; A63-E66 PolarHBondContact O-N 2.83Å |
| 64 | A | 60.6 | Low | 65 | Low | 55 Ų | 55 | 99.1 Ų | 99.1 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.2 | -25.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V60 F61 I62 E66 A67 | V60-A64 WeakPolarHBondContact O-CB 3.32Å; V60-A64 PolarHBondContact O-N 3.2Å; F61-A64 PolarHBondContact O-N 3.1Å; I62-A64 VanDerWaalsContact C-N 3.32Å; I62-A64 PolarHBondContact O-N 2.82Å; A64-E66 PolarHBondContact O-N 3.08Å; A64-A67 PolarHBondContact O-N 3.18Å |
| 65 | A | 61.5 | Low | 64.6 | Low | 72 Ų | 72 | 97.6 Ų | 97.6 | 60% | 0.595 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.8 | -23.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F61 I62 A63 | F61-A65 PolarHBondContact O-N 2.92Å; I62-A65 WeakPolarHBondContact O-CB 3.34Å; I62-A65 PolarHBondContact O-N 3.39Å; I62-A65 VanDerWaalsContact O-N 3.16Å; A63-A65 VanDerWaalsContact C-N 3.29Å; A63-A65 PolarHBondContact O-N 3.14Å |
| 66 | E | 55.1 | Low | 64.3 | Low | 161 Ų | 161 | 96.4 Ų | 96.4 | 75% | 0.752 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -5.6 | -178.4 | -48.1 | -150.7 | 165.7 | 0 | 0 | 113.5 | A63 A64 Q68 | A63-E66 PolarHBondContact O-N 2.83Å; A64-E66 PolarHBondContact O-N 3.08Å; E66-Q68 PolarHBondContact O-N 3.16Å |
| 67 | A | 51.4 | Low | 64.5 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -86.7 | 2.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A64 T69 | A64-A67 PolarHBondContact O-N 3.18Å; A67-T69 VanDerWaalsContact C-N 3.35Å; A67-T69 PolarHBondContact O-N 3.46Å | ||
| 68 | Q | 42 | Very low | 64.6 | Low | 169 Ų | 169 | 94 Ų | 94 | 79% | 0.79 | 58% | 0.582 | S | S | * | * | trans | -93.3 | 62.2 | 178.2 | -67 | -179.4 | 54.1 | 0 | 0 | 111.4 | E66 P70 | E66-Q68 PolarHBondContact O-N 3.16Å; Q68-P70 WeakPolarHBondContact O-CD 2.86Å | ||
| 69 | T | 43.8 | Very low | 64.6 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 73% | 0.73 | 59% | 0.591 | S | S | * | * | trans | -79.9 | 117.6 | 163.2 | -29 | 0 | 0 | 0 | 0 | 107.6 | A67 S71 | A67-T69 VanDerWaalsContact C-N 3.35Å; A67-T69 PolarHBondContact O-N 3.46Å; T69-S71 PolarHBondContact O-N 3.39Å | ||
| 70 | P | 45.2 | Very low | 64.5 | Low | 118 Ų | 118 | 93 Ų | 93 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | trans | -63.6 | 111.1 | 173.8 | 25.6 | -31.7 | 0 | 0 | 0 | 108.6 | Q68 | Q68-P70 WeakPolarHBondContact O-CD 2.86Š| ||
| 71 | S | 55 | Low | 64.5 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | trans | -57.2 | 132.8 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | T69 | T69-S71 PolarHBondContact O-N 3.39Š| ||
| 72 | P | 55.9 | Low | 64.9 | Low | 106 Ų | 106 | 89.3 Ų | 89.3 | 69% | 0.688 | 56% | 0.564 | S | S | * | * | trans | -54.9 | 152.2 | 169.1 | -21.1 | 32.1 | 0 | 0 | 0 | 110.8 | ||||
| 73 | A | 53.7 | Low | 65.4 | Low | 95 Ų | 95 | 85.8 Ų | 85.8 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -40.6 | 132.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A75 | A73-A75 PolarHBondContact O-N 3.4Š|
| 74 | P | 61.9 | Low | 66.3 | Low | 122 Ų | 122 | 86 Ų | 86 | 79% | 0.792 | 55% | 0.545 | S | S | * | . | trans | -71.3 | 99.5 | -166.6 | 28.2 | -33.5 | 0 | 0 | 0 | 110.2 | ||||
| 75 | A | 67.4 | Low | 67.6 | Low | 62 Ų | 62 | 84 Ų | 84 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | trans | -62.7 | 135.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | A73 C77 L79 | A73-A75 PolarHBondContact O-N 3.4Å; A75-C77 PolarHBondContact O-N 2.93Å; A75-L79 HydrophobicContact CB-CD1 4.31Å | ||
| 76 | P | 77.4 | Confident | 68.8 | Low | 64 Ų | 64 | 86 Ų | 86 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | trans | -60.8 | 130.3 | 179.9 | 23.9 | -32.3 | 0 | 0 | 0 | 109.8 | S78 L79 | P76-S78 PolarHBondContact O-N 2.89Å; P76-L79 HydrophobicContact CG-CD1 3.82Å; P76-L79 HydrophobicContact CG-CG 4.09Å; P76-L79 PolarHBondContact O-N 3.04Å; P76-L79 VanDerWaalsContact O-N 3.12Å | ||
| 77 | C | 83.7 | Confident | 70.4 | Confident | 5 Ų | 5 | 82.6 Ų | 82.6 | 3% | 0.034 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -56.9 | -24 | -176.8 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | A75 L79 K80 C94 C103 D105 | A75-C77 PolarHBondContact O-N 2.93Å; C77-L79 PolarHBondContact O-N 2.99Å; C77-L79 VanDerWaalsContact O-N 3.16Å; C77-K80 PolarHBondContact O-N 3.05Å; C77-K80 VanDerWaalsContact O-N 3.11Å; C77-C94 HydrophobicContact CB-CB 3.77Å; C77-C94 WeakPolarHBondContact CB-SG 3.03Å; C77-C94 WeakPolarHBondContact SG-CA 3.48Å; C77-C94 WeakPolarHBondContact SG-CB 3.35Å; C77-C94 CovalentContact SG-SG 2.01Å; C77-C94 PolarHBondContact SG-SG 3.08Å; C77-C103 WeakPolarHBondContact O-CB 3.17Å; C77-C103 PolarHBondContact O-SG 2.94Å; C77-D105 WeakPolarHBondContact CB-OD1 3.19Å; C77-D105 PolarHBondContact N-OD1 3.41Å; C77-D105 PolarHBondContact SG-OD1 3.42Å |
| 78 | S | 82.4 | Confident | 72.1 | Confident | 61 Ų | 61 | 79 Ų | 79 | 43% | 0.427 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -59.1 | -22.3 | 177.5 | 59.8 | 0 | 0 | 0 | 0 | 115 | P76 K80 S81 C103 | P76-S78 PolarHBondContact O-N 2.89Å; S78-K80 PolarHBondContact O-N 2.89Å; S78-S81 VanDerWaalsContact O-CB 3.3Å; S78-S81 WeakPolarHBondContact O-CB 2.96Å; S78-S81 PolarHBondContact O-N 3.27Å; S78-S81 VanDerWaalsContact O-N 3.13Å; S78-S81 PolarHBondContact O-OG 2.04Å; S78-C103 WeakPolarHBondContact CA-O 3.44Å |
| 79 | L | 82.1 | Confident | 74.2 | Confident | 131 Ų | 131 | 71.6 Ų | 71.6 | 69% | 0.686 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -65.8 | -23.3 | 176.2 | -71.3 | 167 | 0 | 0 | 0 | 113.1 | A75 P76 C77 | A75-L79 HydrophobicContact CB-CD1 4.31Å; P76-L79 HydrophobicContact CG-CD1 3.82Å; P76-L79 HydrophobicContact CG-CG 4.09Å; P76-L79 PolarHBondContact O-N 3.04Å; P76-L79 VanDerWaalsContact O-N 3.12Å; C77-L79 PolarHBondContact O-N 2.99Å; C77-L79 VanDerWaalsContact O-N 3.16Å |
| 80 | K | 80 | Confident | 76.2 | Confident | 49 Ų | 49 | 72.9 Ų | 72.9 | 21% | 0.213 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -99 | 22.3 | 176.4 | -71.2 | 158.3 | 168.5 | -85.2 | 0 | 111.7 | C77 S78 S83 E87 C103 | C77-K80 PolarHBondContact O-N 3.05Å; C77-K80 VanDerWaalsContact O-N 3.11Å; S78-K80 PolarHBondContact O-N 2.89Å; K80-S83 WeakPolarHBondContact O-CB 3.48Å; K80-S83 PolarHBondContact O-N 2.96Å; K80-S83 PolarHBondContact O-OG 3.25Å; K80-E87 HydrophobicContact CD-CG 4.45Å; K80-E87 WeakPolarHBondContact CD-O 3.39Å; K80-E87 HydrophobicContact CG-CG 4.42Å; K80-E87 PolarHBondContact NZ-O 3.02Å; K80-E87 IonicContact NZ-OE1 2.68Å; K80-C103 HydrophobicContact CB-CB 4.38Å; K80-C103 WeakPolarHBondContact O-CB 3.39Å |
| 81 | S | 79.9 | Confident | 77.9 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 143.1 | 171.1 | 55 | 0 | 0 | 0 | 0 | 110.5 | S78 S83 | S78-S81 VanDerWaalsContact O-CB 3.3Å; S78-S81 WeakPolarHBondContact O-CB 2.96Å; S78-S81 PolarHBondContact O-N 3.27Å; S78-S81 VanDerWaalsContact O-N 3.13Å; S78-S81 PolarHBondContact O-OG 2.04Å; S81-S83 PolarHBondContact O-N 3.47Å |
| 82 | N | 81.2 | Confident | 79.2 | Confident | 119 Ų | 119 | 71 Ų | 71 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 15 | -171.3 | -50.9 | -85.6 | 0 | 0 | 0 | 115.7 | Q101 | N82-Q101 WeakPolarHBondContact CA-O 3.43Å; N82-Q101 PolarHBondContact N-O 2.89Å |
| 83 | S | 83.2 | Confident | 80.5 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 20% | 0.196 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -88.6 | -170.1 | 171.7 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | K80 S81 W96 | K80-S83 WeakPolarHBondContact O-CB 3.48Å; K80-S83 PolarHBondContact O-N 2.96Å; K80-S83 PolarHBondContact O-OG 3.25Å; S81-S83 PolarHBondContact O-N 3.47Å; S83-W96 WeakPolarHBondContact O-CH2 3.25Å |
| 84 | S | 88 | Confident | 82 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | trans | -75.1 | 154.8 | 165.6 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | D86 E87 C88 | S84-D86 VanDerWaalsContact C-N 3.33Å; S84-D86 PolarHBondContact O-N 2.9Å; S84-E87 PolarHBondContact O-N 3.28Å; S84-E87 WeakPolarHBondContact OG-CB 3.16Å; S84-E87 PolarHBondContact OG-N 2.91Å; S84-C88 PolarHBondContact O-N 3.36Å | ||
| 85 | C | 87.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 10% | 0.095 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 177.5 | 174 | 0 | 0 | 0 | 0 | 112.6 | E87 C88 L89 W96 R124 C128 | C85-E87 VanDerWaalsContact C-N 3.28Å; C85-E87 PolarHBondContact O-N 3.18Å; C85-C88 PolarHBondContact O-N 3.47Å; C85-L89 WeakPolarHBondContact O-CB 3.03Å; C85-L89 VanDerWaalsContact O-CG 3.29Å; C85-L89 WeakPolarHBondContact O-CG 3.46Å; C85-L89 PolarHBondContact O-N 3.29Å; C85-W96 HydrophobicContact CB-CD2 4.35Å; C85-W96 HydrophobicContact CB-CG 4.13Å; C85-R124 VanDerWaalsContact SG-CD 3.55Å; C85-C128 HydrophobicContact CB-CB 4.06Å; C85-C128 WeakPolarHBondContact CB-SG 3.46Å; C85-C128 WeakPolarHBondContact SG-CA 3.25Å; C85-C128 WeakPolarHBondContact SG-CB 3.33Å; C85-C128 CovalentContact SG-SG 2.03Å; C85-C128 PolarHBondContact SG-SG 2.85Å |
| 86 | D | 88.6 | Confident | 84.2 | Confident | 113 Ų | 113 | 56 Ų | 56 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.9 | -33.7 | 178.2 | -59.8 | -53 | 0 | 0 | 0 | 112.1 | S84 Q90 C128 | S84-D86 VanDerWaalsContact C-N 3.33Å; S84-D86 PolarHBondContact O-N 2.9Å; D86-Q90 PolarHBondContact O-N 3.45Å; D86-C128 VanDerWaalsContact OD1-CB 3.28Å; D86-C128 WeakPolarHBondContact OD1-CB 3.39Å |
| 87 | E | 87.8 | Confident | 84.8 | Confident | 91 Ų | 91 | 53.1 Ų | 53.1 | 43% | 0.425 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.8 | -35.9 | 178.4 | -175.4 | 171.6 | -171.7 | 0 | 0 | 112.4 | K80 S84 C85 | K80-E87 HydrophobicContact CD-CG 4.45Å; K80-E87 WeakPolarHBondContact CD-O 3.39Å; K80-E87 HydrophobicContact CG-CG 4.42Å; K80-E87 PolarHBondContact NZ-O 3.02Å; K80-E87 IonicContact NZ-OE1 2.68Å; S84-E87 PolarHBondContact O-N 3.28Å; S84-E87 WeakPolarHBondContact OG-CB 3.16Å; S84-E87 PolarHBondContact OG-N 2.91Å; C85-E87 VanDerWaalsContact C-N 3.28Å; C85-E87 PolarHBondContact O-N 3.18Å |
| 88 | C | 87.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | S84 C85 Q90 C94 W96 C103 | S84-C88 PolarHBondContact O-N 3.36Å; C85-C88 PolarHBondContact O-N 3.47Å; C88-Q90 VanDerWaalsContact C-N 3.27Å; C88-Q90 PolarHBondContact O-N 3.21Å; C88-C94 WeakPolarHBondContact O-CB 3.39Å; C88-W96 HydrophobicContact CB-CB 4.45Å; C88-W96 HydrophobicContact CB-CD2 4.35Å; C88-W96 HydrophobicContact CB-CE3 3.6Å; C88-W96 HydrophobicContact CB-CZ3 4.25Å; C88-C103 HydrophobicContact CB-CB 3.77Å; C88-C103 WeakPolarHBondContact CB-SG 3.5Å; C88-C103 WeakPolarHBondContact SG-CB 3.29Å; C88-C103 CovalentContact SG-SG 2.03Å; C88-C103 PolarHBondContact SG-SG 3.4Å |
| 89 | L | 86.9 | Confident | 85.4 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 9.3 | -173.4 | -64.4 | 178.7 | 0 | 0 | 0 | 114.7 | C85 N91 W96 R124 V127 C128 | C85-L89 WeakPolarHBondContact O-CB 3.03Å; C85-L89 VanDerWaalsContact O-CG 3.29Å; C85-L89 WeakPolarHBondContact O-CG 3.46Å; C85-L89 PolarHBondContact O-N 3.29Å; L89-N91 PolarHBondContact O-N 3.47Å; L89-W96 HydrophobicContact CD2-CB 4.25Å; L89-W96 HydrophobicContact CG-CB 4.34Å; L89-R124 HydrophobicContact CD1-CB 4.23Å; L89-V127 VanDerWaalsContact CD1-C 3.46Å; L89-C128 HydrophobicContact CD1-CB 4.19Å |
| 90 | Q | 84.6 | Confident | 85.6 | Confident | 145 Ų | 145 | 54.4 Ų | 54.4 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30 | 169.6 | -80.9 | -167.7 | -9.9 | 0 | 0 | 112.6 | D86 C88 | D86-Q90 PolarHBondContact O-N 3.45Å; C88-Q90 VanDerWaalsContact C-N 3.27Å; C88-Q90 PolarHBondContact O-N 3.21Å |
| 91 | N | 81.1 | Confident | 86 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -107.9 | 127.5 | 174.7 | -58 | -62 | 0 | 0 | 0 | 109.8 | L89 A93 C94 | L89-N91 PolarHBondContact O-N 3.47Å; N91-A93 PolarHBondContact O-N 3.05Å; N91-A93 VanDerWaalsContact O-N 3.1Å; N91-C94 PolarHBondContact O-N 2.91Å |
| 92 | V | 81.3 | Confident | 86.4 | Confident | 108 Ų | 108 | 59.6 Ų | 59.6 | 66% | 0.655 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.8 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | W125 | V92-W125 PolarHBondContact O-NE1 2.94Š|
| 93 | A | 83.3 | Confident | 86.7 | Confident | 59 Ų | 59 | 54 Ų | 54 | 49% | 0.488 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -13.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | N91 Y106 | N91-A93 PolarHBondContact O-N 3.05Å; N91-A93 VanDerWaalsContact O-N 3.1Å; A93-Y106 WeakPolarHBondContact O-CB 3.36Å; A93-Y106 PolarHBondContact O-N 3.28Å |
| 94 | C | 86.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 148.7 | 179.4 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | C77 C88 N91 | C77-C94 HydrophobicContact CB-CB 3.77Å; C77-C94 WeakPolarHBondContact CB-SG 3.03Å; C77-C94 WeakPolarHBondContact SG-CA 3.48Å; C77-C94 WeakPolarHBondContact SG-CB 3.35Å; C77-C94 CovalentContact SG-SG 2.01Å; C77-C94 PolarHBondContact SG-SG 3.08Å; C88-C94 WeakPolarHBondContact O-CB 3.39Å; N91-C94 PolarHBondContact O-N 2.91Å |
| 95 | L | 87 | Confident | 86.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.1 | 171.2 | -173.1 | 86.9 | 0 | 0 | 0 | 109.4 | C103 I104 Y106 P113 A123 W125 | L95-C103 WeakPolarHBondContact O-CA 3.03Å; L95-I104 HydrophobicContact CB-CG1 4.16Å; L95-I104 HydrophobicContact CD2-CD1 4.2Å; L95-I104 HydrophobicContact CD2-CG1 4.29Å; L95-I104 PolarHBondContact N-O 3.35Å; L95-I104 PolarHBondContact O-N 2.91Å; L95-Y106 HydrophobicContact CB-CD2 4.26Å; L95-Y106 HydrophobicContact CD1-CD2 3.96Å; L95-Y106 HydrophobicContact CD1-CE2 4.4Å; L95-Y106 HydrophobicContact CD2-CD2 4.47Å; L95-Y106 HydrophobicContact CG-CD2 4.46Å; L95-P113 HydrophobicContact CD2-CG 4.07Å; L95-A123 HydrophobicContact CD1-CB 4.39Å; L95-A123 HydrophobicContact CD2-CB 4.44Å; L95-W125 HydrophobicContact CD1-CB 4.07Å |
| 96 | W | 88.9 | Confident | 86.1 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.6 | 173.6 | 179.4 | -101.8 | 0 | 0 | 0 | 111.2 | S83 C85 C88 L89 Q101 C103 A123 R124 | S83-W96 WeakPolarHBondContact O-CH2 3.25Å; C85-W96 HydrophobicContact CB-CD2 4.35Å; C85-W96 HydrophobicContact CB-CG 4.13Å; C88-W96 HydrophobicContact CB-CB 4.45Å; C88-W96 HydrophobicContact CB-CD2 4.35Å; C88-W96 HydrophobicContact CB-CE3 3.6Å; C88-W96 HydrophobicContact CB-CZ3 4.25Å; L89-W96 HydrophobicContact CD2-CB 4.25Å; L89-W96 HydrophobicContact CG-CB 4.34Å; W96-Q101 VanDerWaalsContact CH2-C 3.48Å; W96-Q101 HydrophobicContact CH2-CB 4.02Å; W96-Q101 WeakPolarHBondContact CH2-O 3.3Å; W96-Q101 HydrophobicContact CZ2-CB 4.05Å; W96-Q101 HydrophobicContact CZ2-CG 4.4Å; W96-C103 HydrophobicContact CE3-CB 3.92Å; W96-C103 HydrophobicContact CZ3-CB 4.1Å; W96-A123 WeakPolarHBondContact O-CA 3.45Å; W96-R124 HydrophobicContact CB-CB 4.44Å; W96-R124 PolarHBondContact N-O 2.94Å; W96-R124 PolarHBondContact O-N 3.04Å |
| 97 | C | 90.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.9 | 172.1 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | S99 Q101 Q102 C118 | C97-S99 VanDerWaalsContact C-N 3.33Å; C97-S99 PolarHBondContact O-N 3.26Å; C97-Q101 WeakPolarHBondContact O-CA 3.4Å; C97-Q101 PolarHBondContact O-N 2.89Å; C97-Q102 PolarHBondContact N-O 3.33Å; C97-Q102 PolarHBondContact O-N 3.38Å; C97-C118 VanDerWaalsContact CA-SG 3.52Å; C97-C118 HydrophobicContact CB-CB 3.81Å; C97-C118 WeakPolarHBondContact CB-SG 3.33Å; C97-C118 WeakPolarHBondContact SG-CB 3.28Å; C97-C118 CovalentContact SG-SG 2.04Å; C97-C118 PolarHBondContact SG-SG 3.22Å |
| 98 | S | 88.8 | Confident | 83.8 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -30.2 | -178.7 | -161.5 | 0 | 0 | 0 | 0 | 113.5 | D122 | S98-D122 WeakPolarHBondContact CB-O 3.29Å; S98-D122 PolarHBondContact N-O 3.33Å |
| 99 | S | 88.2 | Confident | 82.6 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 57% | 0.573 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -41.1 | -178 | -177.5 | 0 | 0 | 0 | 0 | 112.9 | C97 | C97-S99 VanDerWaalsContact C-N 3.33Å; C97-S99 PolarHBondContact O-N 3.26Å |
| 100 | N | 86.7 | Confident | 81.4 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -1.8 | -175.1 | -66.6 | -54.6 | 0 | 0 | 0 | 113.2 | Q102 | N100-Q102 HydrophobicContact CB-CG 4.26Å; N100-Q102 PolarHBondContact O-N 3.38Å |
| 101 | Q | 87.8 | Confident | 80.4 | Confident | 110 Ų | 110 | 69.1 Ų | 69.1 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.6 | -174.4 | -58.9 | -177.1 | -0.5 | 0 | 0 | 113.4 | N82 W96 C97 | N82-Q101 WeakPolarHBondContact CA-O 3.43Å; N82-Q101 PolarHBondContact N-O 2.89Å; W96-Q101 VanDerWaalsContact CH2-C 3.48Å; W96-Q101 HydrophobicContact CH2-CB 4.02Å; W96-Q101 WeakPolarHBondContact CH2-O 3.3Å; W96-Q101 HydrophobicContact CZ2-CB 4.05Å; W96-Q101 HydrophobicContact CZ2-CG 4.4Å; C97-Q101 WeakPolarHBondContact O-CA 3.4Å; C97-Q101 PolarHBondContact O-N 2.89Å |
| 102 | Q | 88.4 | Confident | 79.5 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137 | -178.7 | -75.3 | -179.6 | -3.7 | 0 | 0 | 111.1 | C97 N100 | C97-Q102 PolarHBondContact N-O 3.33Å; C97-Q102 PolarHBondContact O-N 3.38Å; N100-Q102 HydrophobicContact CB-CG 4.26Å; N100-Q102 PolarHBondContact O-N 3.38Å |
| 103 | C | 88.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.6 | 169.5 | -168.2 | 0 | 0 | 0 | 0 | 107.8 | C77 S78 K80 C88 L95 W96 | C77-C103 WeakPolarHBondContact O-CB 3.17Å; C77-C103 PolarHBondContact O-SG 2.94Å; S78-C103 WeakPolarHBondContact CA-O 3.44Å; K80-C103 HydrophobicContact CB-CB 4.38Å; K80-C103 WeakPolarHBondContact O-CB 3.39Å; C88-C103 HydrophobicContact CB-CB 3.77Å; C88-C103 WeakPolarHBondContact CB-SG 3.5Å; C88-C103 WeakPolarHBondContact SG-CB 3.29Å; C88-C103 CovalentContact SG-SG 2.03Å; C88-C103 PolarHBondContact SG-SG 3.4Å; L95-C103 WeakPolarHBondContact O-CA 3.03Å; W96-C103 HydrophobicContact CE3-CB 3.92Å; W96-C103 HydrophobicContact CZ3-CB 4.1Å |
| 104 | I | 85.8 | Confident | 77.7 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.256 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.8 | -178.1 | 61 | 175 | 0 | 0 | 0 | 110.3 | L95 Y106 | L95-I104 HydrophobicContact CB-CG1 4.16Å; L95-I104 HydrophobicContact CD2-CD1 4.2Å; L95-I104 HydrophobicContact CD2-CG1 4.29Å; L95-I104 PolarHBondContact N-O 3.35Å; L95-I104 PolarHBondContact O-N 2.91Å; I104-Y106 PolarHBondContact O-N 3.47Å |
| 105 | D | 85.3 | Confident | 76.6 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 43% | 0.428 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.8 | 172.3 | -63 | -66.3 | 0 | 0 | 0 | 108.7 | C77 P107 | C77-D105 WeakPolarHBondContact CB-OD1 3.19Å; C77-D105 PolarHBondContact N-OD1 3.41Å; C77-D105 PolarHBondContact SG-OD1 3.42Å; D105-P107 WeakPolarHBondContact O-CD 3.5Å; D105-P107 VanDerWaalsContact O-N 3.16Å |
| 106 | Y | 75.7 | Confident | 75.7 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 18% | 0.184 | 42% | 0.421 | C | S | . | . | trans | -68 | 111.9 | 178 | -176.4 | -102 | 0 | 0 | 0 | 109.1 | A93 L95 I104 V108 I111 P113 F132 | A93-Y106 WeakPolarHBondContact O-CB 3.36Å; A93-Y106 PolarHBondContact O-N 3.28Å; L95-Y106 HydrophobicContact CB-CD2 4.26Å; L95-Y106 HydrophobicContact CD1-CD2 3.96Å; L95-Y106 HydrophobicContact CD1-CE2 4.4Å; L95-Y106 HydrophobicContact CD2-CD2 4.47Å; L95-Y106 HydrophobicContact CG-CD2 4.46Å; I104-Y106 PolarHBondContact O-N 3.47Å; Y106-V108 PolarHBondContact O-N 3.21Å; Y106-I111 PolarHBondContact OH-O 2.89Å; Y106-P113 HydrophobicContact CD2-CG 4.32Å; Y106-P113 HydrophobicContact CE2-CG 3.79Å; Y106-F132 HydrophobicContact CE2-CE2 4.34Å; Y106-F132 HydrophobicContact CE2-CZ 4.23Å | ||
| 107 | P | 66.5 | Low | 74.8 | Confident | 51 Ų | 51 | 78.4 Ų | 78.4 | 33% | 0.331 | 44% | 0.437 | S | S | . | . | trans | -74 | 104.3 | -175 | 29.2 | -31.6 | 0 | 0 | 0 | 109.5 | D105 K109 N110 | D105-P107 WeakPolarHBondContact O-CD 3.5Å; D105-P107 VanDerWaalsContact O-N 3.16Å; P107-K109 PolarHBondContact O-N 3.05Å; P107-N110 PolarHBondContact O-N 2.8Å | ||
| 108 | V | 60.5 | Low | 74.3 | Confident | 134 Ų | 134 | 78.6 Ų | 78.6 | 81% | 0.812 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -14.1 | 177.5 | -155.9 | 0 | 0 | 0 | 0 | 113 | Y106 | Y106-V108 PolarHBondContact O-N 3.21Š|
| 109 | K | 61.8 | Low | 74 | Confident | 195 Ų | 195 | 81.9 Ų | 81.9 | 85% | 0.848 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -23.9 | 179.5 | -51.3 | -157.4 | -178.3 | -168.6 | 0 | 113.5 | P107 | P107-K109 PolarHBondContact O-N 3.05Š|
| 110 | N | 61.6 | Low | 73.5 | Confident | 92 Ų | 92 | 80.4 Ų | 80.4 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -118.5 | 111 | 178.1 | -67.7 | -43.7 | 0 | 0 | 0 | 108.7 | P107 L112 | P107-N110 PolarHBondContact O-N 2.8Å; N110-L112 PolarHBondContact O-N 3.38Å |
| 111 | I | 64.3 | Low | 73.4 | Confident | 139 Ų | 139 | 80 Ų | 80 | 71% | 0.713 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -55.5 | -26.8 | -176.9 | -82 | 84.1 | 0 | 0 | 0 | 112.2 | Y106 | Y106-I111 PolarHBondContact OH-O 2.89Š|
| 112 | L | 61.7 | Low | 73.3 | Confident | 89 Ų | 89 | 77.4 Ų | 77.4 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -127.5 | 130.3 | 169.6 | -87.9 | 70.5 | 0 | 0 | 0 | 109.8 | N110 L120 | N110-L112 PolarHBondContact O-N 3.38Å; L112-L120 HydrophobicContact CD2-CD2 4.25Å |
| 113 | P | 62.8 | Low | 73.3 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | trans | -59.2 | 134.2 | 164.4 | -1.8 | 9.8 | 0 | 0 | 0 | 109 | L95 Y106 V117 | L95-P113 HydrophobicContact CD2-CG 4.07Å; Y106-P113 HydrophobicContact CD2-CG 4.32Å; Y106-P113 HydrophobicContact CE2-CG 3.79Å; P113-V117 HydrophobicContact CB-CG2 3.94Å | ||
| 114 | P | 65.2 | Low | 73.4 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | trans | -60.6 | 144.1 | 177.8 | 21.4 | -28.5 | 0 | 0 | 0 | 110.4 | S116 V117 | P114-S116 PolarHBondContact O-N 3.45Å; P114-V117 HydrophobicContact CG-CG2 4.07Å; P114-V117 WeakPolarHBondContact O-CG2 3.21Å; P114-V117 PolarHBondContact O-N 2.9Å | ||
| 115 | S | 63.7 | Low | 73.4 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 60% | 0.601 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -14.7 | -178 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 116 | S | 67.2 | Low | 73.4 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 73% | 0.734 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -26.6 | 175.3 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | P114 | P114-S116 PolarHBondContact O-N 3.45Š|
| 117 | V | 70.9 | Confident | 73.9 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -36.2 | 177.4 | -74.1 | 0 | 0 | 0 | 0 | 112.3 | P113 P114 | P113-V117 HydrophobicContact CB-CG2 3.94Å; P114-V117 HydrophobicContact CG-CG2 4.07Å; P114-V117 WeakPolarHBondContact O-CG2 3.21Å; P114-V117 PolarHBondContact O-N 2.9Å |
| 118 | C | 78.3 | Confident | 75 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | trans | -161.4 | 142.5 | 172 | -160.4 | 0 | 0 | 0 | 0 | 110.3 | C97 | C97-C118 VanDerWaalsContact CA-SG 3.52Å; C97-C118 HydrophobicContact CB-CB 3.81Å; C97-C118 WeakPolarHBondContact CB-SG 3.33Å; C97-C118 WeakPolarHBondContact SG-CB 3.28Å; C97-C118 CovalentContact SG-SG 2.04Å; C97-C118 PolarHBondContact SG-SG 3.22Å | ||
| 119 | H | 83.2 | Confident | 76.1 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 57% | 0.569 | 41% | 0.411 | S | S | * | . | trans | -65.9 | 139 | 168.2 | -85 | 167.6 | 0 | 0 | 0 | 110.7 | N121 D122 A123 | H119-N121 PolarHBondContact O-N 3.37Å; H119-D122 PolarHBondContact O-N 2.89Å; H119-A123 PolarHBondContact O-N 3.46Å; H119-A123 VanDerWaalsContact O-N 3.08Å | ||
| 120 | L | 77.4 | Confident | 77.4 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.5 | 179.8 | -99.1 | 66 | 0 | 0 | 0 | 113.7 | L112 F132 Q133 | L112-L120 HydrophobicContact CD2-CD2 4.25Å; L120-F132 HydrophobicContact CG-CD1 4.5Å; L120-Q133 PolarHBondContact O-N 2.74Å |
| 121 | N | 83.6 | Confident | 78.6 | Confident | 79 Ų | 79 | 68 Ų | 68 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -26.4 | 178.5 | -68.7 | 3.4 | 0 | 0 | 0 | 112.8 | H119 N131 Q133 | H119-N121 PolarHBondContact O-N 3.37Å; N121-N131 WeakPolarHBondContact O-CB 3.27Å; N121-N131 PolarHBondContact O-ND2 3.42Å; N121-N131 PolarHBondContact O-OD1 2.93Å; N121-Q133 PolarHBondContact OD1-OE1 3.19Å |
| 122 | D | 86.7 | Confident | 79.6 | Confident | 55 Ų | 55 | 62 Ų | 62 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -10.2 | -176.1 | -61.1 | -37.3 | 0 | 0 | 0 | 112.6 | S98 H119 | S98-D122 WeakPolarHBondContact CB-O 3.29Å; S98-D122 PolarHBondContact N-O 3.33Å; H119-D122 PolarHBondContact O-N 2.89Å |
| 123 | A | 88.6 | Confident | 80.8 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L95 W96 H119 F132 | L95-A123 HydrophobicContact CD1-CB 4.39Å; L95-A123 HydrophobicContact CD2-CB 4.44Å; W96-A123 WeakPolarHBondContact O-CA 3.45Å; H119-A123 PolarHBondContact O-N 3.46Å; H119-A123 VanDerWaalsContact O-N 3.08Å; A123-F132 HydrophobicContact CB-CB 4.1Å; A123-F132 WeakPolarHBondContact O-CB 3.32Å; A123-F132 PolarHBondContact O-N 3.47Å |
| 124 | R | 89.8 | Confident | 82 | Confident | 51 Ų | 51 | 65 Ų | 65 | 19% | 0.192 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139 | 178.8 | -59.5 | 173.7 | -175 | -73.9 | -6 | 109.3 | C85 L89 W96 C128 N131 | C85-R124 VanDerWaalsContact SG-CD 3.55Å; L89-R124 HydrophobicContact CD1-CB 4.23Å; W96-R124 HydrophobicContact CB-CB 4.44Å; W96-R124 PolarHBondContact N-O 2.94Å; W96-R124 PolarHBondContact O-N 3.04Å; R124-C128 WeakPolarHBondContact CD-O 3.28Å; R124-C128 PolarHBondContact NH1-O 3.44Å; R124-N131 PolarHBondContact NH1-OD1 3.26Å |
| 125 | W | 86.4 | Confident | 83 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 39% | 0.386 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 130.7 | -175.5 | 175.6 | 57.5 | 0 | 0 | 0 | 110.8 | V92 L95 V127 F132 L135 | V92-W125 PolarHBondContact O-NE1 2.94Å; L95-W125 HydrophobicContact CD1-CB 4.07Å; W125-V127 PolarHBondContact O-N 3.1Å; W125-F132 HydrophobicContact CB-CD2 3.94Å; W125-F132 HydrophobicContact CB-CE2 4.44Å; W125-F132 HydrophobicContact CE3-CD2 4.45Å; W125-F132 HydrophobicContact CE3-CE2 4.23Å; W125-L135 HydrophobicContact CB-CD1 4.46Å; W125-L135 HydrophobicContact CE3-CD1 3.93Å; W125-L135 WeakPolarHBondContact O-CD1 3.48Å |
| 126 | G | 85 | Confident | 84.1 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 68.7 | -39.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 127 | V | 86.3 | Confident | 85.2 | Confident | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | trans | -134.3 | 142.6 | 179.3 | -74.7 | 0 | 0 | 0 | 0 | 110.9 | L89 W125 V130 | L89-V127 VanDerWaalsContact CD1-C 3.46Å; W125-V127 PolarHBondContact O-N 3.1Å; V127-V130 HydrophobicContact CG2-CB 3.98Å; V127-V130 HydrophobicContact CG2-CG2 3.82Å | ||
| 128 | C | 88.9 | Confident | 86.1 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -79.3 | -25.9 | -178.1 | -165.7 | 0 | 0 | 0 | 0 | 113.5 | C85 D86 L89 R124 | C85-C128 HydrophobicContact CB-CB 4.06Å; C85-C128 WeakPolarHBondContact CB-SG 3.46Å; C85-C128 WeakPolarHBondContact SG-CA 3.25Å; C85-C128 WeakPolarHBondContact SG-CB 3.33Å; C85-C128 CovalentContact SG-SG 2.03Å; C85-C128 PolarHBondContact SG-SG 2.85Å; D86-C128 VanDerWaalsContact OD1-CB 3.28Å; D86-C128 WeakPolarHBondContact OD1-CB 3.39Å; L89-C128 HydrophobicContact CD1-CB 4.19Å; R124-C128 WeakPolarHBondContact CD-O 3.28Å; R124-C128 PolarHBondContact NH1-O 3.44Å |
| 129 | W | 84.9 | Confident | 86.6 | Confident | 218 Ų | 218 | 67 Ų | 67 | 83% | 0.826 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -82.8 | -20.8 | -174.1 | 64.9 | 62.1 | 0 | 0 | 0 | 113.9 | ||
| 130 | V | 87.9 | Confident | 87 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -104.1 | 137.9 | -179.3 | -161.8 | 0 | 0 | 0 | 0 | 111 | V127 I134 L135 | V127-V130 HydrophobicContact CG2-CB 3.98Å; V127-V130 HydrophobicContact CG2-CG2 3.82Å; V130-I134 HydrophobicContact CG1-CB 3.65Å; V130-I134 HydrophobicContact CG1-CD1 4.33Å; V130-I134 HydrophobicContact CG1-CG2 3.67Å; V130-L135 HydrophobicContact CB-CD2 4.04Å; V130-L135 HydrophobicContact CB-CG 4.27Å; V130-L135 HydrophobicContact CG1-CD2 3.75Å; V130-L135 HydrophobicContact CG1-CG 3.88Å; V130-L135 HydrophobicContact CG2-CD2 4.39Å |
| 131 | N | 87.9 | Confident | 87.8 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 151.9 | 172.7 | -56.2 | -35.1 | 0 | 0 | 0 | 111.3 | N121 R124 Q133 I134 L135 | N121-N131 WeakPolarHBondContact O-CB 3.27Å; N121-N131 PolarHBondContact O-ND2 3.42Å; N121-N131 PolarHBondContact O-OD1 2.93Å; R124-N131 PolarHBondContact NH1-OD1 3.26Å; N131-Q133 PolarHBondContact O-N 3.21Å; N131-I134 HydrophobicContact CB-CD1 4.21Å; N131-I134 PolarHBondContact O-N 3.14Å; N131-L135 PolarHBondContact O-N 3.37Å |
| 132 | F | 85 | Confident | 88.1 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57 | -37.1 | -179.6 | -168.8 | -106.7 | 0 | 0 | 0 | 112.9 | Y106 L120 A123 W125 I134 L135 I136 | Y106-F132 HydrophobicContact CE2-CE2 4.34Å; Y106-F132 HydrophobicContact CE2-CZ 4.23Å; L120-F132 HydrophobicContact CG-CD1 4.5Å; A123-F132 HydrophobicContact CB-CB 4.1Å; A123-F132 WeakPolarHBondContact O-CB 3.32Å; A123-F132 PolarHBondContact O-N 3.47Å; W125-F132 HydrophobicContact CB-CD2 3.94Å; W125-F132 HydrophobicContact CB-CE2 4.44Å; W125-F132 HydrophobicContact CE3-CD2 4.45Å; W125-F132 HydrophobicContact CE3-CE2 4.23Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 3.03Å; F132-L135 PolarHBondContact O-N 3.06Å; F132-I136 HydrophobicContact CD1-CD1 3.61Å; F132-I136 HydrophobicContact CD1-CG1 4.38Å; F132-I136 HydrophobicContact CE1-CD1 3.29Å; F132-I136 HydrophobicContact CE1-CG1 4.14Å; F132-I136 HydrophobicContact CZ-CD1 3.96Å; F132-I136 HydrophobicContact CZ-CG1 4.42Å; F132-I136 PolarHBondContact O-N 2.92Å; F132-I136 VanDerWaalsContact O-N 3.08Å |
| 133 | Q | 86.6 | Confident | 88.3 | Confident | 85 Ų | 85 | 66.8 Ų | 66.8 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.7 | -45.5 | 174.7 | -170.6 | -174.6 | 43.5 | 0 | 0 | 112.5 | L120 N121 N131 I136 I137 | L120-Q133 PolarHBondContact O-N 2.74Å; N121-Q133 PolarHBondContact OD1-OE1 3.19Å; N131-Q133 PolarHBondContact O-N 3.21Å; Q133-I136 PolarHBondContact O-N 2.97Å; Q133-I137 HydrophobicContact CG-CD1 4.02Å; Q133-I137 VanDerWaalsContact O-CG1 3.28Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 3.4Å; Q133-I137 VanDerWaalsContact O-N 3.1Å |
| 134 | I | 89.3 | Confident | 88.4 | Confident | 76 Ų | 76 | 68 Ų | 68 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | -178.3 | -60.2 | 164.6 | 0 | 0 | 0 | 109.6 | V130 N131 F132 I136 I137 T138 | V130-I134 HydrophobicContact CG1-CB 3.65Å; V130-I134 HydrophobicContact CG1-CD1 4.33Å; V130-I134 HydrophobicContact CG1-CG2 3.67Å; N131-I134 HydrophobicContact CB-CD1 4.21Å; N131-I134 PolarHBondContact O-N 3.14Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 3.03Å; I134-I136 PolarHBondContact O-N 3.5Å; I134-I137 PolarHBondContact O-N 2.78Å; I134-T138 HydrophobicContact CG2-CG2 4.15Å; I134-T138 VanDerWaalsContact O-CG2 3.25Å; I134-T138 WeakPolarHBondContact O-CG2 3.32Å; I134-T138 PolarHBondContact O-N 3.27Å; I134-T138 PolarHBondContact O-OG1 3.5Å |
| 135 | L | 85.3 | Confident | 88.4 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.2 | -65.3 | 177.3 | 0 | 0 | 0 | 111.7 | W125 V130 N131 F132 I137 T138 M139 | W125-L135 HydrophobicContact CB-CD1 4.46Å; W125-L135 HydrophobicContact CE3-CD1 3.93Å; W125-L135 WeakPolarHBondContact O-CD1 3.48Å; V130-L135 HydrophobicContact CB-CD2 4.04Å; V130-L135 HydrophobicContact CB-CG 4.27Å; V130-L135 HydrophobicContact CG1-CD2 3.75Å; V130-L135 HydrophobicContact CG1-CG 3.88Å; V130-L135 HydrophobicContact CG2-CD2 4.39Å; N131-L135 PolarHBondContact O-N 3.37Å; F132-L135 PolarHBondContact O-N 3.06Å; L135-I137 PolarHBondContact O-N 2.95Å; L135-T138 PolarHBondContact O-N 3.38Å; L135-T138 PolarHBondContact O-OG1 2.86Å; L135-M139 WeakPolarHBondContact O-CG 3.38Å; L135-M139 PolarHBondContact O-N 2.93Å |
| 136 | I | 86.9 | Confident | 88.4 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 177.3 | -67.5 | 169.7 | 0 | 0 | 0 | 111.3 | F132 Q133 I134 T138 M139 S140 | F132-I136 HydrophobicContact CD1-CD1 3.61Å; F132-I136 HydrophobicContact CD1-CG1 4.38Å; F132-I136 HydrophobicContact CE1-CD1 3.29Å; F132-I136 HydrophobicContact CE1-CG1 4.14Å; F132-I136 HydrophobicContact CZ-CD1 3.96Å; F132-I136 HydrophobicContact CZ-CG1 4.42Å; F132-I136 PolarHBondContact O-N 2.92Å; F132-I136 VanDerWaalsContact O-N 3.08Å; Q133-I136 PolarHBondContact O-N 2.97Å; I134-I136 PolarHBondContact O-N 3.5Å; I136-T138 VanDerWaalsContact C-N 3.34Å; I136-T138 PolarHBondContact O-N 2.86Å; I136-M139 PolarHBondContact O-N 2.84Å; I136-S140 WeakPolarHBondContact O-CB 3.31Å; I136-S140 PolarHBondContact O-N 2.79Å; I136-S140 PolarHBondContact O-OG 2.96Å |
| 137 | I | 90.5 | Very high | 88.6 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 179.8 | -67.9 | 165.5 | 0 | 0 | 0 | 110 | Q133 I134 L135 M139 S140 V141 | Q133-I137 HydrophobicContact CG-CD1 4.02Å; Q133-I137 VanDerWaalsContact O-CG1 3.28Å; Q133-I137 WeakPolarHBondContact O-CG1 3.48Å; Q133-I137 PolarHBondContact O-N 3.4Å; Q133-I137 VanDerWaalsContact O-N 3.1Å; I134-I137 PolarHBondContact O-N 2.78Å; L135-I137 PolarHBondContact O-N 2.95Å; I137-M139 PolarHBondContact O-N 3.3Å; I137-S140 PolarHBondContact O-N 2.98Å; I137-V141 HydrophobicContact CG2-CG2 4.3Å; I137-V141 WeakPolarHBondContact O-CG2 3.28Å; I137-V141 PolarHBondContact O-N 3.41Å |
| 138 | T | 90.3 | Very high | 88.6 | Confident | 61 Ų | 61 | 73.2 Ų | 73.2 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | -179.1 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | I134 L135 I136 S140 V141 L142 | I134-T138 HydrophobicContact CG2-CG2 4.15Å; I134-T138 VanDerWaalsContact O-CG2 3.25Å; I134-T138 WeakPolarHBondContact O-CG2 3.32Å; I134-T138 PolarHBondContact O-N 3.27Å; I134-T138 PolarHBondContact O-OG1 3.5Å; L135-T138 PolarHBondContact O-N 3.38Å; L135-T138 PolarHBondContact O-OG1 2.86Å; I136-T138 VanDerWaalsContact C-N 3.34Å; I136-T138 PolarHBondContact O-N 2.86Å; T138-S140 VanDerWaalsContact C-N 3.32Å; T138-S140 PolarHBondContact O-N 3.44Å; T138-V141 PolarHBondContact O-N 3.22Å; T138-L142 VanDerWaalsContact O-CB 3.32Å; T138-L142 WeakPolarHBondContact O-CB 3.46Å; T138-L142 PolarHBondContact O-N 3.49Å |
| 139 | M | 87.8 | Confident | 88.4 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 176.1 | -70.2 | -58.3 | 111.8 | 0 | 0 | 112.3 | L135 I136 I137 L142 A143 | L135-M139 WeakPolarHBondContact O-CG 3.38Å; L135-M139 PolarHBondContact O-N 2.93Å; I136-M139 PolarHBondContact O-N 2.84Å; I137-M139 PolarHBondContact O-N 3.3Å; M139-L142 PolarHBondContact O-N 3.2Å; M139-A143 VanDerWaalsContact O-CB 3.27Å; M139-A143 WeakPolarHBondContact O-CB 3.2Å; M139-A143 PolarHBondContact O-N 2.82Å |
| 140 | S | 92 | Very high | 88.2 | Confident | 72 Ų | 72 | 67 Ų | 67 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | I136 I137 T138 G144 | I136-S140 WeakPolarHBondContact O-CB 3.31Å; I136-S140 PolarHBondContact O-N 2.79Å; I136-S140 PolarHBondContact O-OG 2.96Å; I137-S140 PolarHBondContact O-N 2.98Å; T138-S140 VanDerWaalsContact C-N 3.32Å; T138-S140 PolarHBondContact O-N 3.44Å; S140-G144 PolarHBondContact O-N 3.31Å |
| 141 | V | 94.6 | Very high | 88 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | I137 T138 A143 G144 V145 | I137-V141 HydrophobicContact CG2-CG2 4.3Å; I137-V141 WeakPolarHBondContact O-CG2 3.28Å; I137-V141 PolarHBondContact O-N 3.41Å; T138-V141 PolarHBondContact O-N 3.22Å; V141-A143 PolarHBondContact O-N 2.78Å; V141-G144 PolarHBondContact O-N 3.43Å; V141-V145 HydrophobicContact CG1-CG2 4.34Å; V141-V145 WeakPolarHBondContact O-CG2 3.45Å; V141-V145 PolarHBondContact O-N 2.86Å |
| 142 | L | 90.6 | Very high | 87.8 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 51% | 0.508 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 177.6 | -168.4 | 82.5 | 0 | 0 | 0 | 110.9 | T138 M139 G144 V145 I146 | T138-L142 VanDerWaalsContact O-CB 3.32Å; T138-L142 WeakPolarHBondContact O-CB 3.46Å; T138-L142 PolarHBondContact O-N 3.49Å; M139-L142 PolarHBondContact O-N 3.2Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-G144 PolarHBondContact O-N 3.41Å; L142-V145 PolarHBondContact O-N 3.44Å; L142-I146 HydrophobicContact CD2-CD1 4.47Å; L142-I146 HydrophobicContact CG-CD1 4.11Å; L142-I146 WeakPolarHBondContact O-CB 3.45Å; L142-I146 WeakPolarHBondContact O-CD1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.46Å; L142-I146 PolarHBondContact O-N 3.42Å |
| 143 | A | 89.3 | Confident | 87.4 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M139 V141 I146 I147 | M139-A143 VanDerWaalsContact O-CB 3.27Å; M139-A143 WeakPolarHBondContact O-CB 3.2Å; M139-A143 PolarHBondContact O-N 2.82Å; V141-A143 PolarHBondContact O-N 2.78Å; A143-I146 WeakPolarHBondContact O-CB 3.21Å; A143-I146 PolarHBondContact O-N 2.92Å; A143-I147 VanDerWaalsContact O-CG1 3.29Å; A143-I147 WeakPolarHBondContact O-CG1 3.39Å; A143-I147 PolarHBondContact O-N 3.41Å |
| 144 | G | 92 | Very high | 86.9 | Confident | 27 Ų | 27 | 72.9 Ų | 72.9 | 28% | 0.278 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S140 V141 L142 I146 I147 I148 | S140-G144 PolarHBondContact O-N 3.31Å; V141-G144 PolarHBondContact O-N 3.43Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-G144 PolarHBondContact O-N 3.41Å; G144-I146 VanDerWaalsContact C-N 3.28Å; G144-I146 PolarHBondContact O-N 3.29Å; G144-I147 PolarHBondContact O-N 2.82Å; G144-I148 VanDerWaalsContact O-CG1 3.26Å; G144-I148 WeakPolarHBondContact O-CG1 3.27Å; G144-I148 PolarHBondContact O-N 2.85Å |
| 145 | V | 89.3 | Confident | 86.1 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 52% | 0.515 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | V141 L142 I148 A149 | V141-V145 HydrophobicContact CG1-CG2 4.34Å; V141-V145 WeakPolarHBondContact O-CG2 3.45Å; V141-V145 PolarHBondContact O-N 2.86Å; L142-V145 PolarHBondContact O-N 3.44Å; V145-I148 PolarHBondContact O-N 3.35Å; V145-A149 VanDerWaalsContact O-CB 3.27Å; V145-A149 WeakPolarHBondContact O-CB 3.26Å; V145-A149 PolarHBondContact O-N 2.89Å |
| 146 | I | 86.2 | Confident | 85.5 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 30% | 0.303 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 176.6 | -72.8 | 166.3 | 0 | 0 | 0 | 111.2 | F53 L142 A143 G144 A149 I150 | F53-I146 HydrophobicContact CE2-CB 4.16Å; F53-I146 HydrophobicContact CE2-CG1 3.71Å; F53-I146 VanDerWaalsContact CZ-CA 3.47Å; F53-I146 HydrophobicContact CZ-CB 3.71Å; F53-I146 HydrophobicContact CZ-CG1 3.56Å; F53-I146 HydrophobicContact CZ-CG2 3.75Å; L142-I146 HydrophobicContact CD2-CD1 4.47Å; L142-I146 HydrophobicContact CG-CD1 4.11Å; L142-I146 WeakPolarHBondContact O-CB 3.45Å; L142-I146 WeakPolarHBondContact O-CD1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.46Å; L142-I146 PolarHBondContact O-N 3.42Å; A143-I146 WeakPolarHBondContact O-CB 3.21Å; A143-I146 PolarHBondContact O-N 2.92Å; G144-I146 VanDerWaalsContact C-N 3.28Å; G144-I146 PolarHBondContact O-N 3.29Å; I146-A149 PolarHBondContact O-N 2.92Å; I146-I150 HydrophobicContact CG2-CD1 4.09Å; I146-I150 WeakPolarHBondContact O-CG1 3.32Å; I146-I150 PolarHBondContact O-N 2.8Å |
| 147 | I | 88.7 | Confident | 84.7 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 178.7 | -67.8 | 164.8 | 0 | 0 | 0 | 110.5 | A143 G144 A149 I150 L151 | A143-I147 VanDerWaalsContact O-CG1 3.29Å; A143-I147 WeakPolarHBondContact O-CG1 3.39Å; A143-I147 PolarHBondContact O-N 3.41Å; G144-I147 PolarHBondContact O-N 2.82Å; I147-A149 VanDerWaalsContact C-N 3.33Å; I147-A149 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 3.46Å; I147-L151 HydrophobicContact CG2-CD1 4.11Å; I147-L151 HydrophobicContact CG2-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CG 3.21Å; I147-L151 PolarHBondContact O-N 3.25Å |
| 148 | I | 87.9 | Confident | 83.4 | Confident | 106 Ų | 106 | 76.1 Ų | 76.1 | 54% | 0.544 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 178.6 | -67.2 | 166 | 0 | 0 | 0 | 110.6 | G144 V145 I150 L151 V152 | G144-I148 VanDerWaalsContact O-CG1 3.26Å; G144-I148 WeakPolarHBondContact O-CG1 3.27Å; G144-I148 PolarHBondContact O-N 2.85Å; V145-I148 PolarHBondContact O-N 3.35Å; I148-I150 VanDerWaalsContact C-N 3.33Å; I148-I150 PolarHBondContact O-N 3.03Å; I148-L151 PolarHBondContact O-N 2.91Å; I148-V152 HydrophobicContact CG2-CG2 4.2Å; I148-V152 WeakPolarHBondContact O-CB 3.49Å; I148-V152 VanDerWaalsContact O-CG2 3.3Å; I148-V152 WeakPolarHBondContact O-CG2 3.07Å; I148-V152 PolarHBondContact O-N 3.26Å |
| 149 | A | 82.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F53 V145 I146 I147 C153 | F53-A149 HydrophobicContact CD2-CB 3.9Å; F53-A149 HydrophobicContact CE2-CB 3.62Å; F53-A149 HydrophobicContact CG-CB 4.44Å; F53-A149 HydrophobicContact CZ-CB 3.93Å; V145-A149 VanDerWaalsContact O-CB 3.27Å; V145-A149 WeakPolarHBondContact O-CB 3.26Å; V145-A149 PolarHBondContact O-N 2.89Å; I146-A149 PolarHBondContact O-N 2.92Å; I147-A149 VanDerWaalsContact C-N 3.33Å; I147-A149 PolarHBondContact O-N 2.93Å; A149-C153 WeakPolarHBondContact O-CB 3.39Å; A149-C153 PolarHBondContact O-N 3.28Å |
| 150 | I | 81.9 | Confident | 80.6 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 43% | 0.431 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.5 | -66.4 | 165.1 | 0 | 0 | 0 | 110.6 | I146 I147 I148 V152 C153 C154 | I146-I150 HydrophobicContact CG2-CD1 4.09Å; I146-I150 WeakPolarHBondContact O-CG1 3.32Å; I146-I150 PolarHBondContact O-N 2.8Å; I147-I150 PolarHBondContact O-N 3.46Å; I148-I150 VanDerWaalsContact C-N 3.33Å; I148-I150 PolarHBondContact O-N 3.03Å; I150-V152 PolarHBondContact O-N 3.23Å; I150-C153 PolarHBondContact O-N 3.49Å; I150-C154 WeakPolarHBondContact O-CB 3.46Å; I150-C154 PolarHBondContact O-N 3.44Å; I150-C154 PolarHBondContact O-SG 2.78Å |
| 151 | L | 83.8 | Confident | 79 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 45% | 0.45 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 178.6 | -69.3 | 178 | 0 | 0 | 0 | 111 | I147 I148 C153 C154 F155 | I147-L151 HydrophobicContact CG2-CD1 4.11Å; I147-L151 HydrophobicContact CG2-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CG 3.21Å; I147-L151 PolarHBondContact O-N 3.25Å; I148-L151 PolarHBondContact O-N 2.91Å; L151-C153 VanDerWaalsContact C-N 3.34Å; L151-C153 PolarHBondContact O-N 3.26Å; L151-C154 PolarHBondContact O-N 3.29Å; L151-F155 HydrophobicContact CB-CD2 4.12Å; L151-F155 HydrophobicContact CB-CE2 4.14Å; L151-F155 HydrophobicContact CD2-CE2 4.05Å; L151-F155 WeakPolarHBondContact O-CB 3.34Å; L151-F155 WeakPolarHBondContact O-CD2 3.1Å; L151-F155 WeakPolarHBondContact O-CG 3.46Å; L151-F155 PolarHBondContact O-N 3.26Å |
| 152 | V | 83.3 | Confident | 77.1 | Confident | 79 Ų | 79 | 86.9 Ų | 86.9 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | I148 I150 C154 F155 C156 | I148-V152 HydrophobicContact CG2-CG2 4.2Å; I148-V152 WeakPolarHBondContact O-CB 3.49Å; I148-V152 VanDerWaalsContact O-CG2 3.3Å; I148-V152 WeakPolarHBondContact O-CG2 3.07Å; I148-V152 PolarHBondContact O-N 3.26Å; I150-V152 PolarHBondContact O-N 3.23Å; V152-C154 PolarHBondContact O-N 2.77Å; V152-F155 PolarHBondContact O-N 3.41Å; V152-C156 WeakPolarHBondContact O-CA 3.3Å; V152-C156 WeakPolarHBondContact O-CB 3.45Å; V152-C156 PolarHBondContact O-N 3.5Å; V152-C156 PolarHBondContact O-SG 2.85Å |
| 153 | C | 77 | Confident | 75.5 | Confident | 56 Ų | 56 | 87.5 Ų | 87.5 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 174.7 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | A149 I150 L151 C157 | A149-C153 WeakPolarHBondContact O-CB 3.39Å; A149-C153 PolarHBondContact O-N 3.28Å; I150-C153 PolarHBondContact O-N 3.49Å; L151-C153 VanDerWaalsContact C-N 3.34Å; L151-C153 PolarHBondContact O-N 3.26Å; C153-C157 WeakPolarHBondContact O-CA 3.34Å; C153-C157 WeakPolarHBondContact O-CB 2.99Å; C153-C157 PolarHBondContact O-N 3.27Å; C153-C157 PolarHBondContact O-SG 2.8Å |
| 154 | C | 75.3 | Confident | 74.2 | Confident | 65 Ų | 65 | 87.1 Ų | 87.1 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 177.7 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | I150 L151 V152 C158 | I150-C154 WeakPolarHBondContact O-CB 3.46Å; I150-C154 PolarHBondContact O-N 3.44Å; I150-C154 PolarHBondContact O-SG 2.78Å; L151-C154 PolarHBondContact O-N 3.29Å; V152-C154 PolarHBondContact O-N 2.77Å; C154-C158 WeakPolarHBondContact O-CB 3.06Å; C154-C158 PolarHBondContact O-N 3.34Å; C154-C158 PolarHBondContact O-SG 2.92Å |
| 155 | F | 73.4 | Confident | 72.8 | Confident | 146 Ų | 146 | 88 Ų | 88 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -77 | -31.4 | -178.6 | -74 | -62.1 | 0 | 0 | 0 | 113.1 | L151 V152 K159 | L151-F155 HydrophobicContact CB-CD2 4.12Å; L151-F155 HydrophobicContact CB-CE2 4.14Å; L151-F155 HydrophobicContact CD2-CE2 4.05Å; L151-F155 WeakPolarHBondContact O-CB 3.34Å; L151-F155 WeakPolarHBondContact O-CD2 3.1Å; L151-F155 WeakPolarHBondContact O-CG 3.46Å; L151-F155 PolarHBondContact O-N 3.26Å; V152-F155 PolarHBondContact O-N 3.41Å; F155-K159 WeakPolarHBondContact O-CB 3.41Å |
| 156 | C | 71 | Confident | 71.7 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 35% | 0.351 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -85.1 | -50.4 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 111 | V152 C160 | V152-C156 WeakPolarHBondContact O-CA 3.3Å; V152-C156 WeakPolarHBondContact O-CB 3.45Å; V152-C156 PolarHBondContact O-N 3.5Å; V152-C156 PolarHBondContact O-SG 2.85Å; C156-C160 WeakPolarHBondContact O-CB 3.38Å; C156-C160 PolarHBondContact O-N 3.15Å; C156-C160 PolarHBondContact O-SG 3.29Å |
| 157 | C | 70.3 | Confident | 70.9 | Confident | 58 Ų | 58 | 97.3 Ų | 97.3 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.2 | -48.3 | -176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | C153 K159 C160 E161 | C153-C157 WeakPolarHBondContact O-CA 3.34Å; C153-C157 WeakPolarHBondContact O-CB 2.99Å; C153-C157 PolarHBondContact O-N 3.27Å; C153-C157 PolarHBondContact O-SG 2.8Å; C157-K159 VanDerWaalsContact C-N 3.26Å; C157-K159 PolarHBondContact O-N 2.83Å; C157-C160 PolarHBondContact O-N 3.48Å; C157-E161 WeakPolarHBondContact O-CB 2.98Å; C157-E161 PolarHBondContact O-N 3.09Å |
| 158 | C | 64.9 | Low | 70.3 | Confident | 82 Ų | 82 | 99 Ų | 99 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.4 | -23 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 113.2 | C154 | C154-C158 WeakPolarHBondContact O-CB 3.06Å; C154-C158 PolarHBondContact O-N 3.34Å; C154-C158 PolarHBondContact O-SG 2.92Å |
| 159 | K | 61.1 | Low | 69.9 | Low | 146 Ų | 146 | 100.1 Ų | 100.1 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -88.6 | -36 | 176.8 | -156.3 | 178.6 | -174.8 | 139.4 | 0 | 111.9 | F155 C157 I163 | F155-K159 WeakPolarHBondContact O-CB 3.41Å; C157-K159 VanDerWaalsContact C-N 3.26Å; C157-K159 PolarHBondContact O-N 2.83Å; K159-I163 HydrophobicContact CG-CD1 4.47Å; K159-I163 WeakPolarHBondContact O-CD1 3.35Å; K159-I163 WeakPolarHBondContact O-CG1 3.46Å; K159-I163 PolarHBondContact O-N 2.82Å |
| 160 | C | 56.3 | Low | 69.9 | Low | 85 Ų | 85 | 100.6 Ų | 100.6 | 57% | 0.574 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71 | -35.2 | 174.6 | -70.6 | 0 | 0 | 0 | 0 | 112.3 | C156 C157 R162 I163 G164 | C156-C160 WeakPolarHBondContact O-CB 3.38Å; C156-C160 PolarHBondContact O-N 3.15Å; C156-C160 PolarHBondContact O-SG 3.29Å; C157-C160 PolarHBondContact O-N 3.48Å; C160-R162 PolarHBondContact O-N 3.09Å; C160-I163 PolarHBondContact O-N 2.83Å; C160-I163 VanDerWaalsContact O-N 3.15Å; C160-G164 PolarHBondContact O-N 3.4Å |
| 161 | E | 59.6 | Low | 69.9 | Low | 151 Ų | 151 | 101.9 Ų | 101.9 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 176.3 | -167.8 | 153.6 | 140.7 | 0 | 0 | 111.7 | C157 I163 G164 S165 | C157-E161 WeakPolarHBondContact O-CB 2.98Å; C157-E161 PolarHBondContact O-N 3.09Å; E161-I163 VanDerWaalsContact C-N 3.25Å; E161-I163 PolarHBondContact O-N 3.28Å; E161-G164 PolarHBondContact O-N 3.05Å; E161-S165 WeakPolarHBondContact O-CB 3.1Å; E161-S165 PolarHBondContact O-N 2.86Å; E161-S165 PolarHBondContact O-OG 3.22Å; E161-S165 VanDerWaalsContact O-OG 3.09Å |
| 162 | R | 53.5 | Low | 70.1 | Confident | 184 Ų | 184 | 101.4 Ų | 101.4 | 69% | 0.694 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -21.6 | 174.7 | -96.1 | -158.1 | -79 | 176.3 | -9.8 | 114.8 | C160 K166 | C160-R162 PolarHBondContact O-N 3.09Å; R162-K166 WeakPolarHBondContact O-CG 3.36Å |
| 163 | I | 58.1 | Low | 70.3 | Confident | 111 Ų | 111 | 102.2 Ų | 102.2 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -92.4 | -38.4 | 179 | -69.3 | 166.4 | 0 | 0 | 0 | 110.4 | K159 C160 E161 R167 | K159-I163 HydrophobicContact CG-CD1 4.47Å; K159-I163 WeakPolarHBondContact O-CD1 3.35Å; K159-I163 WeakPolarHBondContact O-CG1 3.46Å; K159-I163 PolarHBondContact O-N 2.82Å; C160-I163 PolarHBondContact O-N 2.83Å; C160-I163 VanDerWaalsContact O-N 3.15Å; E161-I163 VanDerWaalsContact C-N 3.25Å; E161-I163 PolarHBondContact O-N 3.28Å; I163-R167 PolarHBondContact O-N 2.93Å |
| 164 | G | 60.7 | Low | 70.9 | Confident | 37 Ų | 37 | 108.6 Ų | 108.6 | 38% | 0.381 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -50.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C160 E161 K166 R167 E168 | C160-G164 PolarHBondContact O-N 3.4Å; E161-G164 PolarHBondContact O-N 3.05Å; G164-K166 PolarHBondContact O-N 3.39Å; G164-R167 PolarHBondContact O-N 3.28Å; G164-R167 VanDerWaalsContact O-N 3.14Å; G164-E168 WeakPolarHBondContact O-CB 3.42Å; G164-E168 PolarHBondContact O-N 3.37Å |
| 165 | S | 62.8 | Low | 71.6 | Confident | 46 Ų | 46 | 109.9 Ų | 109.9 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | -179.1 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | E161 R167 E168 E169 | E161-S165 WeakPolarHBondContact O-CB 3.1Å; E161-S165 PolarHBondContact O-N 2.86Å; E161-S165 PolarHBondContact O-OG 3.22Å; E161-S165 VanDerWaalsContact O-OG 3.09Å; S165-R167 VanDerWaalsContact C-N 3.33Å; S165-R167 PolarHBondContact O-N 3.14Å; S165-E168 PolarHBondContact O-N 3.29Å; S165-E169 VanDerWaalsContact O-CB 3.31Å; S165-E169 WeakPolarHBondContact O-CB 3.27Å; S165-E169 VanDerWaalsContact O-CG 3.27Å; S165-E169 WeakPolarHBondContact O-CG 3.33Å; S165-E169 PolarHBondContact O-N 3.37Å |
| 166 | K | 66.3 | Low | 72.5 | Confident | 146 Ų | 146 | 105.5 Ų | 105.5 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 177.5 | -72.9 | -174 | 176.8 | -164.5 | 0 | 113.3 | R162 G164 A170 | R162-K166 WeakPolarHBondContact O-CG 3.36Å; G164-K166 PolarHBondContact O-N 3.39Å; K166-A170 VanDerWaalsContact O-CB 3.3Å; K166-A170 WeakPolarHBondContact O-CB 3.39Å; K166-A170 PolarHBondContact O-N 3.34Å; K166-A170 VanDerWaalsContact O-N 3.15Å |
| 167 | R | 70.7 | Confident | 73.5 | Confident | 193 Ų | 193 | 110.9 Ų | 110.9 | 73% | 0.728 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.2 | -39.6 | 178.9 | -174.7 | 175.3 | 176 | 162.9 | -1.1 | 111.1 | I163 G164 S165 Q171 | I163-R167 PolarHBondContact O-N 2.93Å; G164-R167 PolarHBondContact O-N 3.28Å; G164-R167 VanDerWaalsContact O-N 3.14Å; S165-R167 VanDerWaalsContact C-N 3.33Å; S165-R167 PolarHBondContact O-N 3.14Å; R167-Q171 WeakPolarHBondContact O-CB 3.46Å; R167-Q171 PolarHBondContact O-N 2.9Å; R167-Q171 VanDerWaalsContact O-N 3.14Å |
| 168 | E | 75.3 | Confident | 74.6 | Confident | 134 Ų | 134 | 110.4 Ų | 110.4 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -46.1 | 178.6 | -168.4 | 171.5 | 174.4 | 0 | 0 | 111.8 | G164 S165 A170 Q171 V172 | G164-E168 WeakPolarHBondContact O-CB 3.42Å; G164-E168 PolarHBondContact O-N 3.37Å; S165-E168 PolarHBondContact O-N 3.29Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.98Å; E168-Q171 WeakPolarHBondContact O-CB 3.4Å; E168-Q171 PolarHBondContact O-N 3.37Å; E168-V172 WeakPolarHBondContact O-CG2 3.3Å; E168-V172 PolarHBondContact O-N 3.45Å |
| 169 | E | 78.8 | Confident | 75.9 | Confident | 130 Ų | 130 | 114.3 Ų | 114.3 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.6 | -46.1 | 173.9 | -76.2 | 177.7 | 173.6 | 0 | 0 | 111.6 | S165 Q171 V172 E173 | S165-E169 VanDerWaalsContact O-CB 3.31Å; S165-E169 WeakPolarHBondContact O-CB 3.27Å; S165-E169 VanDerWaalsContact O-CG 3.27Å; S165-E169 WeakPolarHBondContact O-CG 3.33Å; S165-E169 PolarHBondContact O-N 3.37Å; E169-Q171 VanDerWaalsContact C-N 3.26Å; E169-Q171 PolarHBondContact O-N 2.86Å; E169-V172 PolarHBondContact O-N 2.92Å; E169-E173 WeakPolarHBondContact O-CB 3.31Å; E169-E173 PolarHBondContact O-N 3.22Å |
| 170 | A | 83.3 | Confident | 77.5 | Confident | 41 Ų | 41 | 113.4 Ų | 113.4 | 34% | 0.339 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -34.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K166 E168 R174 | K166-A170 VanDerWaalsContact O-CB 3.3Å; K166-A170 WeakPolarHBondContact O-CB 3.39Å; K166-A170 PolarHBondContact O-N 3.34Å; K166-A170 VanDerWaalsContact O-N 3.15Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.98Å; A170-R174 VanDerWaalsContact O-CG 3.26Å; A170-R174 WeakPolarHBondContact O-CG 3.49Å; A170-R174 PolarHBondContact O-N 3.34Å |
| 171 | Q | 83.4 | Confident | 79.3 | Confident | 112 Ų | 112 | 112.2 Ų | 112.2 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.4 | -42.5 | 177.1 | -170.2 | 169.4 | -43.6 | 0 | 0 | 111.7 | R167 E168 E169 E173 R174 Q175 | R167-Q171 WeakPolarHBondContact O-CB 3.46Å; R167-Q171 PolarHBondContact O-N 2.9Å; R167-Q171 VanDerWaalsContact O-N 3.14Å; E168-Q171 WeakPolarHBondContact O-CB 3.4Å; E168-Q171 PolarHBondContact O-N 3.37Å; E169-Q171 VanDerWaalsContact C-N 3.26Å; E169-Q171 PolarHBondContact O-N 2.86Å; Q171-E173 VanDerWaalsContact C-N 3.34Å; Q171-R174 PolarHBondContact O-N 3.43Å; Q171-Q175 WeakPolarHBondContact O-CG 3.36Å; Q171-Q175 PolarHBondContact O-N 3.34Å; Q171-Q175 VanDerWaalsContact O-N 3.07Å |
| 172 | V | 87.6 | Confident | 80.9 | Confident | 76 Ų | 76 | 113.9 Ų | 113.9 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | E168 E169 Q175 T176 | E168-V172 WeakPolarHBondContact O-CG2 3.3Å; E168-V172 PolarHBondContact O-N 3.45Å; E169-V172 PolarHBondContact O-N 2.92Å; V172-Q175 PolarHBondContact O-N 3.07Å; V172-T176 WeakPolarHBondContact O-CB 3.47Å; V172-T176 PolarHBondContact O-N 2.89Å; V172-T176 PolarHBondContact O-OG1 3.33Å |
| 173 | E | 87.9 | Confident | 82.8 | Confident | 95 Ų | 95 | 110.9 Ų | 110.9 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.5 | -170.9 | -177.3 | 179.8 | 0 | 0 | 111.5 | E169 Q171 Q175 T176 R177 | E169-E173 WeakPolarHBondContact O-CB 3.31Å; E169-E173 PolarHBondContact O-N 3.22Å; Q171-E173 VanDerWaalsContact C-N 3.34Å; E173-Q175 VanDerWaalsContact C-N 3.34Å; E173-Q175 PolarHBondContact O-N 3.35Å; E173-T176 PolarHBondContact O-N 2.87Å; E173-R177 WeakPolarHBondContact O-CG 3.49Å; E173-R177 PolarHBondContact O-N 2.91Å; E173-R177 IonicContact OE1-CZ 3.72Å; E173-R177 IonicContact OE1-NE 2.63Å; E173-R177 PolarHBondContact OE1-NE 3.15Å; E173-R177 IonicContact OE1-NH2 3.2Å; E173-R177 PolarHBondContact OE1-NH2 3.05Å |
| 174 | R | 89 | Confident | 84.4 | Confident | 190 Ų | 190 | 112.8 Ų | 112.8 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.8 | -44.6 | 175.6 | -73.6 | 172 | -174.8 | -164 | 1.8 | 111.9 | A170 Q171 T176 R177 A178 | A170-R174 VanDerWaalsContact O-CG 3.26Å; A170-R174 WeakPolarHBondContact O-CG 3.49Å; A170-R174 PolarHBondContact O-N 3.34Å; Q171-R174 PolarHBondContact O-N 3.43Å; R174-T176 VanDerWaalsContact C-N 3.35Å; R174-R177 PolarHBondContact O-N 3.14Å; R174-A178 WeakPolarHBondContact O-CB 3.3Å; R174-A178 PolarHBondContact O-N 3.42Å |
| 175 | Q | 90.4 | Very high | 86 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 177.2 | -69.8 | -178 | 7.8 | 0 | 0 | 111.9 | Q171 V172 E173 A178 R179 | Q171-Q175 WeakPolarHBondContact O-CG 3.36Å; Q171-Q175 PolarHBondContact O-N 3.34Å; Q171-Q175 VanDerWaalsContact O-N 3.07Å; V172-Q175 PolarHBondContact O-N 3.07Å; E173-Q175 VanDerWaalsContact C-N 3.34Å; E173-Q175 PolarHBondContact O-N 3.35Å; Q175-A178 PolarHBondContact O-N 3.22Å; Q175-R179 WeakPolarHBondContact O-CB 3.38Å; Q175-R179 VanDerWaalsContact O-CG 3.3Å; Q175-R179 WeakPolarHBondContact O-CG 3.42Å; Q175-R179 PolarHBondContact O-N 3.07Å |
| 176 | T | 92 | Very high | 87.5 | Confident | 55 Ų | 55 | 120 Ų | 120 | 34% | 0.337 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -43.7 | 178.3 | -59 | 0 | 0 | 0 | 0 | 111.3 | V172 E173 R174 R179 K180 | V172-T176 WeakPolarHBondContact O-CB 3.47Å; V172-T176 PolarHBondContact O-N 2.89Å; V172-T176 PolarHBondContact O-OG1 3.33Å; E173-T176 PolarHBondContact O-N 2.87Å; R174-T176 VanDerWaalsContact C-N 3.35Å; T176-R179 PolarHBondContact O-N 3.44Å; T176-K180 HydrophobicContact CG2-CD 4.28Å; T176-K180 WeakPolarHBondContact O-CB 3.42Å; T176-K180 WeakPolarHBondContact O-CG 3.33Å; T176-K180 PolarHBondContact O-N 3.29Å |
| 177 | R | 91.5 | Very high | 88.8 | Confident | 164 Ų | 164 | 119.8 Ų | 119.8 | 62% | 0.619 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.8 | -45.2 | 174.2 | -71 | 175.2 | -179.3 | -149.7 | 3.2 | 111.3 | E173 R174 K180 A181 | E173-R177 WeakPolarHBondContact O-CG 3.49Å; E173-R177 PolarHBondContact O-N 2.91Å; E173-R177 IonicContact OE1-CZ 3.72Å; E173-R177 IonicContact OE1-NE 2.63Å; E173-R177 PolarHBondContact OE1-NE 3.15Å; E173-R177 IonicContact OE1-NH2 3.2Å; E173-R177 PolarHBondContact OE1-NH2 3.05Å; R174-R177 PolarHBondContact O-N 3.14Å; R177-K180 PolarHBondContact O-N 3.27Å; R177-A181 WeakPolarHBondContact O-CB 3.26Å; R177-A181 PolarHBondContact O-N 3.15Å |
| 178 | A | 92.8 | Very high | 89.9 | Confident | 48 Ų | 48 | 114 Ų | 114 | 40% | 0.397 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R174 Q175 A181 R182 | R174-A178 WeakPolarHBondContact O-CB 3.3Å; R174-A178 PolarHBondContact O-N 3.42Å; Q175-A178 PolarHBondContact O-N 3.22Å; A178-A181 PolarHBondContact O-N 3.39Å; A178-R182 WeakPolarHBondContact O-CG 3.46Å; A178-R182 PolarHBondContact O-N 3.5Å |
| 179 | R | 92.4 | Very high | 90.7 | Very high | 165 Ų | 165 | 113 Ų | 113 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 175.2 | -73.2 | 175.6 | -175.3 | -176.5 | 3.4 | 111.6 | Q175 T176 A181 R182 Q183 | Q175-R179 WeakPolarHBondContact O-CB 3.38Å; Q175-R179 VanDerWaalsContact O-CG 3.3Å; Q175-R179 WeakPolarHBondContact O-CG 3.42Å; Q175-R179 PolarHBondContact O-N 3.07Å; T176-R179 PolarHBondContact O-N 3.44Å; R179-A181 PolarHBondContact O-N 3Å; R179-R182 PolarHBondContact O-N 2.98Å; R179-Q183 WeakPolarHBondContact O-CG 3.43Å; R179-Q183 PolarHBondContact O-N 2.96Å |
| 180 | K | 94.7 | Very high | 91.4 | Very high | 127 Ų | 127 | 111.2 Ų | 111.2 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 176.9 | -74.6 | 178.7 | 179 | -179 | 0 | 111.9 | T176 R177 Q183 K184 | T176-K180 HydrophobicContact CG2-CD 4.28Å; T176-K180 WeakPolarHBondContact O-CB 3.42Å; T176-K180 WeakPolarHBondContact O-CG 3.33Å; T176-K180 PolarHBondContact O-N 3.29Å; R177-K180 PolarHBondContact O-N 3.27Å; K180-Q183 PolarHBondContact O-N 3.44Å; K180-K184 WeakPolarHBondContact O-CG 3.35Å; K180-K184 PolarHBondContact O-N 2.95Å |
| 181 | A | 93.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 114.8 Ų | 114.8 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R177 A178 R179 Q183 K184 A185 | R177-A181 WeakPolarHBondContact O-CB 3.26Å; R177-A181 PolarHBondContact O-N 3.15Å; A178-A181 PolarHBondContact O-N 3.39Å; R179-A181 PolarHBondContact O-N 3Å; A181-Q183 VanDerWaalsContact C-N 3.34Å; A181-Q183 PolarHBondContact O-N 3.33Å; A181-K184 PolarHBondContact O-N 3.31Å; A181-A185 PolarHBondContact O-N 3.45Å |
| 182 | R | 93.1 | Very high | 92 | Very high | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.698 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 176 | -70.1 | 175.2 | -177.1 | -172.3 | 0.7 | 112.6 | A178 R179 A185 R186 | A178-R182 WeakPolarHBondContact O-CG 3.46Å; A178-R182 PolarHBondContact O-N 3.5Å; R179-R182 PolarHBondContact O-N 2.98Å; R182-A185 PolarHBondContact O-N 3.3Å; R182-R186 WeakPolarHBondContact O-CG 3.21Å; R182-R186 PolarHBondContact O-N 3.36Å |
| 183 | Q | 93.5 | Very high | 92.2 | Very high | 121 Ų | 121 | 118 Ų | 118 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.5 | -43.4 | 175.9 | -75.9 | 177.1 | -24.7 | 0 | 0 | 112.1 | R179 K180 A181 R186 K187 | R179-Q183 WeakPolarHBondContact O-CG 3.43Å; R179-Q183 PolarHBondContact O-N 2.96Å; K180-Q183 PolarHBondContact O-N 3.44Å; A181-Q183 VanDerWaalsContact C-N 3.34Å; A181-Q183 PolarHBondContact O-N 3.33Å; Q183-R186 PolarHBondContact O-N 2.99Å; Q183-K187 WeakPolarHBondContact O-CG 3.37Å; Q183-K187 PolarHBondContact O-N 3.13Å |
| 184 | K | 93.4 | Very high | 92.2 | Very high | 152 Ų | 152 | 118.5 Ų | 118.5 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 175.5 | -73.1 | -176.8 | 178 | -168.8 | 0 | 111.3 | K180 A181 R186 K187 T188 | K180-K184 WeakPolarHBondContact O-CG 3.35Å; K180-K184 PolarHBondContact O-N 2.95Å; A181-K184 PolarHBondContact O-N 3.31Å; K184-R186 PolarHBondContact O-N 3.44Å; K184-K187 PolarHBondContact O-N 2.99Å; K184-K187 VanDerWaalsContact O-N 3.15Å; K184-T188 PolarHBondContact O-N 3.37Å; K184-T188 PolarHBondContact O-OG1 3.33Å |
| 185 | A | 92.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 112.2 Ų | 112.2 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A181 R182 T188 E189 | A181-A185 PolarHBondContact O-N 3.45Å; R182-A185 PolarHBondContact O-N 3.3Å; A185-T188 WeakPolarHBondContact CA-OG1 3.48Å; A185-T188 PolarHBondContact O-N 2.99Å; A185-T188 PolarHBondContact O-OG1 3.47Å; A185-E189 WeakPolarHBondContact O-CB 3.32Å; A185-E189 PolarHBondContact O-N 2.95Å |
| 186 | R | 93.9 | Very high | 92 | Very high | 178 Ų | 178 | 113 Ų | 113 | 67% | 0.672 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 174.8 | -73.4 | -176.9 | -178.2 | -153.5 | -0.6 | 112.3 | R182 Q183 K184 E189 I190 | R182-R186 WeakPolarHBondContact O-CG 3.21Å; R182-R186 PolarHBondContact O-N 3.36Å; Q183-R186 PolarHBondContact O-N 2.99Å; K184-R186 PolarHBondContact O-N 3.44Å; R186-E189 PolarHBondContact O-N 2.63Å; R186-I190 WeakPolarHBondContact O-CB 3.3Å; R186-I190 WeakPolarHBondContact O-CD1 3.4Å; R186-I190 WeakPolarHBondContact O-CG1 3.29Å; R186-I190 PolarHBondContact O-N 3.06Å |
| 187 | K | 93.8 | Very high | 91.7 | Very high | 142 Ų | 142 | 114.9 Ų | 114.9 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 177.9 | -74.5 | -177.7 | 178.7 | -167.2 | 0 | 111.5 | Q183 K184 E189 I190 Q191 | Q183-K187 WeakPolarHBondContact O-CG 3.37Å; Q183-K187 PolarHBondContact O-N 3.13Å; K184-K187 PolarHBondContact O-N 2.99Å; K184-K187 VanDerWaalsContact O-N 3.15Å; K187-E189 VanDerWaalsContact C-N 3.35Å; K187-I190 PolarHBondContact O-N 2.98Å; K187-Q191 WeakPolarHBondContact O-CB 3.49Å; K187-Q191 VanDerWaalsContact O-CG 3.28Å; K187-Q191 WeakPolarHBondContact O-CG 3.48Å; K187-Q191 PolarHBondContact O-N 2.85Å |
| 188 | T | 93.4 | Very high | 91.3 | Very high | 73 Ų | 73 | 112.4 Ų | 112.4 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | K184 A185 Q191 L192 | K184-T188 PolarHBondContact O-N 3.37Å; K184-T188 PolarHBondContact O-OG1 3.33Å; A185-T188 WeakPolarHBondContact CA-OG1 3.48Å; A185-T188 PolarHBondContact O-N 2.99Å; A185-T188 PolarHBondContact O-OG1 3.47Å; T188-Q191 PolarHBondContact O-N 3.46Å; T188-L192 WeakPolarHBondContact O-CB 3.45Å; T188-L192 VanDerWaalsContact O-CG 3.26Å; T188-L192 WeakPolarHBondContact O-CG 3.43Å; T188-L192 PolarHBondContact O-N 3.33Å |
| 189 | E | 93.2 | Very high | 90.8 | Very high | 113 Ų | 113 | 116.8 Ų | 116.8 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.6 | -175.3 | -179 | 178 | 0 | 0 | 111.6 | A185 R186 K187 Q191 L192 R193 | A185-E189 WeakPolarHBondContact O-CB 3.32Å; A185-E189 PolarHBondContact O-N 2.95Å; R186-E189 PolarHBondContact O-N 2.63Å; K187-E189 VanDerWaalsContact C-N 3.35Å; E189-Q191 PolarHBondContact O-N 3.35Å; E189-L192 PolarHBondContact O-N 3.47Å; E189-R193 VanDerWaalsContact O-CG 3.29Å; E189-R193 WeakPolarHBondContact O-CG 3.41Å; E189-R193 PolarHBondContact O-N 2.86Å |
| 190 | I | 92.9 | Very high | 90.5 | Very high | 91 Ų | 91 | 116.7 Ų | 116.7 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.9 | -67.9 | 164.4 | 0 | 0 | 0 | 111 | R186 K187 R193 H194 | R186-I190 WeakPolarHBondContact O-CB 3.3Å; R186-I190 WeakPolarHBondContact O-CD1 3.4Å; R186-I190 WeakPolarHBondContact O-CG1 3.29Å; R186-I190 PolarHBondContact O-N 3.06Å; K187-I190 PolarHBondContact O-N 2.98Å; I190-R193 PolarHBondContact O-N 3.06Å; I190-H194 WeakPolarHBondContact O-CB 3.45Å; I190-H194 PolarHBondContact O-CD2 3.24Å; I190-H194 VanDerWaalsContact O-CD2 3.27Å; I190-H194 PolarHBondContact O-N 3.42Å |
| 191 | Q | 89.7 | Confident | 89.9 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.7 | -48.8 | 176.9 | -77.1 | 172.2 | -26.4 | 0 | 0 | 111.3 | K187 T188 E189 R193 H194 D195 | K187-Q191 WeakPolarHBondContact O-CB 3.49Å; K187-Q191 VanDerWaalsContact O-CG 3.28Å; K187-Q191 WeakPolarHBondContact O-CG 3.48Å; K187-Q191 PolarHBondContact O-N 2.85Å; T188-Q191 PolarHBondContact O-N 3.46Å; E189-Q191 PolarHBondContact O-N 3.35Å; Q191-R193 VanDerWaalsContact C-N 3.33Å; Q191-R193 PolarHBondContact O-N 3.11Å; Q191-H194 WeakPolarHBondContact O-CB 3.26Å; Q191-H194 PolarHBondContact O-N 2.92Å; Q191-H194 VanDerWaalsContact O-N 3.11Å; Q191-D195 PolarHBondContact O-N 2.96Å |
| 192 | L | 90.8 | Very high | 88.9 | Confident | 117 Ų | 117 | 118.6 Ų | 118.6 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.4 | -42.4 | 177.2 | -72.2 | 170 | 0 | 0 | 0 | 112.1 | T188 E189 D195 E196 | T188-L192 WeakPolarHBondContact O-CB 3.45Å; T188-L192 VanDerWaalsContact O-CG 3.26Å; T188-L192 WeakPolarHBondContact O-CG 3.43Å; T188-L192 PolarHBondContact O-N 3.33Å; E189-L192 PolarHBondContact O-N 3.47Å; L192-D195 PolarHBondContact O-N 2.68Å; L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 3.06Å |
| 193 | R | 90.5 | Very high | 87.8 | Confident | 138 Ų | 138 | 115.6 Ų | 115.6 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 175.1 | -67.2 | -61.8 | -177.4 | -167.2 | 1.8 | 112.3 | E189 I190 Q191 D195 E196 I197 | E189-R193 VanDerWaalsContact O-CG 3.29Å; E189-R193 WeakPolarHBondContact O-CG 3.41Å; E189-R193 PolarHBondContact O-N 2.86Å; I190-R193 PolarHBondContact O-N 3.06Å; Q191-R193 VanDerWaalsContact C-N 3.33Å; Q191-R193 PolarHBondContact O-N 3.11Å; R193-D195 VanDerWaalsContact C-N 3.34Å; R193-E196 IonicContact NH1-OE2 2.68Å; R193-E196 PolarHBondContact NH1-OE2 2.96Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.38Å; R193-I197 PolarHBondContact O-N 2.9Å; R193-I197 VanDerWaalsContact O-N 3.13Å |
| 194 | H | 88.1 | Confident | 86.3 | Confident | 106 Ų | 106 | 112.8 Ų | 112.8 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.8 | -37.6 | 177.1 | -75.8 | -161 | 0 | 0 | 0 | 111.9 | I190 Q191 R198 | I190-H194 WeakPolarHBondContact O-CB 3.45Å; I190-H194 PolarHBondContact O-CD2 3.24Å; I190-H194 VanDerWaalsContact O-CD2 3.27Å; I190-H194 PolarHBondContact O-N 3.42Å; Q191-H194 WeakPolarHBondContact O-CB 3.26Å; Q191-H194 PolarHBondContact O-N 2.92Å; Q191-H194 VanDerWaalsContact O-N 3.11Å; H194-R198 PolarHBondContact O-N 3.39Å |
| 195 | D | 86.8 | Confident | 84.8 | Confident | 59 Ų | 59 | 113.6 Ų | 113.6 | 32% | 0.316 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.2 | -43.3 | 176.9 | -64.9 | -26 | 0 | 0 | 0 | 111.3 | Q191 L192 R193 I197 R198 Q199 | Q191-D195 PolarHBondContact O-N 2.96Å; L192-D195 PolarHBondContact O-N 2.68Å; R193-D195 VanDerWaalsContact C-N 3.34Å; D195-I197 VanDerWaalsContact C-N 3.32Å; D195-I197 PolarHBondContact O-N 3.2Å; D195-R198 PolarHBondContact O-N 3.45Å; D195-R198 IonicContact OD1-CZ 3.06Å; D195-R198 IonicContact OD1-NH1 3.06Å; D195-R198 PolarHBondContact OD1-NH1 3.22Å; D195-R198 IonicContact OD1-NH2 3.03Å; D195-R198 PolarHBondContact OD1-NH2 3.29Å; D195-Q199 WeakPolarHBondContact O-CG 3.28Å; D195-Q199 PolarHBondContact O-N 3.25Å |
| 196 | E | 88.6 | Confident | 83.3 | Confident | 109 Ų | 109 | 119 Ų | 119 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -56.2 | -44.5 | 174.3 | -173.4 | -176.3 | 175.6 | 0 | 0 | 111.5 | L192 R193 Q199 K200 | L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 3.06Å; R193-E196 IonicContact NH1-OE2 2.68Å; R193-E196 PolarHBondContact NH1-OE2 2.96Å; E196-Q199 PolarHBondContact O-N 3.04Å; E196-K200 WeakPolarHBondContact O-CB 3.46Å; E196-K200 PolarHBondContact O-N 3Å |
| 197 | I | 85.6 | Confident | 81.6 | Confident | 93 Ų | 93 | 115.4 Ų | 115.4 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -45.4 | 176.3 | -68 | 168.7 | 0 | 0 | 0 | 111.3 | R193 D195 Q199 K200 Y201 | R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.38Å; R193-I197 PolarHBondContact O-N 2.9Å; R193-I197 VanDerWaalsContact O-N 3.13Å; D195-I197 VanDerWaalsContact C-N 3.32Å; D195-I197 PolarHBondContact O-N 3.2Å; I197-Q199 VanDerWaalsContact C-N 3.27Å; I197-Q199 PolarHBondContact O-N 3.34Å; I197-K200 PolarHBondContact O-N 3.21Å; I197-Y201 HydrophobicContact CG2-CD2 3.88Å; I197-Y201 HydrophobicContact CG2-CE2 3.99Å; I197-Y201 VanDerWaalsContact O-CD2 3.32Å; I197-Y201 WeakPolarHBondContact O-CD2 3.43Å; I197-Y201 PolarHBondContact O-N 3.07Å |
| 198 | R | 83.4 | Confident | 80.1 | Confident | 112 Ų | 112 | 114 Ų | 114 | 42% | 0.423 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -37.1 | 179.3 | -84.6 | -171.9 | -102.7 | 112.7 | 5.1 | 112.2 | H194 D195 I203 A204 | H194-R198 PolarHBondContact O-N 3.39Å; D195-R198 PolarHBondContact O-N 3.45Å; D195-R198 IonicContact OD1-CZ 3.06Å; D195-R198 IonicContact OD1-NH1 3.06Å; D195-R198 PolarHBondContact OD1-NH1 3.22Å; D195-R198 IonicContact OD1-NH2 3.03Å; D195-R198 PolarHBondContact OD1-NH2 3.29Å; R198-I203 PolarHBondContact O-N 3.39Å; R198-I203 VanDerWaalsContact O-N 3.07Å; R198-A204 PolarHBondContact O-N 3.2Å |
| 199 | Q | 82.8 | Confident | 78.4 | Confident | 140 Ų | 140 | 118.2 Ų | 118.2 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.2 | -43.9 | 175 | -70.4 | -180 | 0.7 | 0 | 0 | 111.9 | D195 E196 I197 Y201 G202 A204 | D195-Q199 WeakPolarHBondContact O-CG 3.28Å; D195-Q199 PolarHBondContact O-N 3.25Å; E196-Q199 PolarHBondContact O-N 3.04Å; I197-Q199 VanDerWaalsContact C-N 3.27Å; I197-Q199 PolarHBondContact O-N 3.34Å; Q199-Y201 VanDerWaalsContact C-N 3.3Å; Q199-Y201 PolarHBondContact O-N 3.18Å; Q199-G202 PolarHBondContact O-N 2.84Å; Q199-A204 HydrophobicContact CG-CB 4.15Å |
| 200 | K | 84.9 | Confident | 76.8 | Confident | 164 Ų | 164 | 116.2 Ų | 116.2 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.1 | -34 | -177.6 | -170.4 | 175.7 | -177.5 | 179.2 | 0 | 114 | E196 I197 | E196-K200 WeakPolarHBondContact O-CB 3.46Å; E196-K200 PolarHBondContact O-N 3Å; I197-K200 PolarHBondContact O-N 3.21Å |
| 201 | Y | 82.9 | Confident | 75.2 | Confident | 161 Ų | 161 | 122.4 Ų | 122.4 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 11.8 | -179.6 | -63.5 | -74.4 | 0 | 0 | 0 | 113.9 | I197 Q199 I203 | I197-Y201 HydrophobicContact CG2-CD2 3.88Å; I197-Y201 HydrophobicContact CG2-CE2 3.99Å; I197-Y201 VanDerWaalsContact O-CD2 3.32Å; I197-Y201 WeakPolarHBondContact O-CD2 3.43Å; I197-Y201 PolarHBondContact O-N 3.07Å; Q199-Y201 VanDerWaalsContact C-N 3.3Å; Q199-Y201 PolarHBondContact O-N 3.18Å; Y201-I203 PolarHBondContact O-N 2.91Å |
| 202 | G | 72.3 | Confident | 73.8 | Confident | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.2 | 15.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q199 A204 | Q199-G202 PolarHBondContact O-N 2.84Å; G202-A204 VanDerWaalsContact C-N 3.32Å |
| 203 | I | 69.5 | Low | 72.3 | Confident | 122 Ų | 122 | 125 Ų | 125 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | trans | -84.8 | -10.3 | 179.9 | -62.5 | 166 | 0 | 0 | 0 | 111.1 | R198 Y201 K205 | R198-I203 PolarHBondContact O-N 3.39Å; R198-I203 VanDerWaalsContact O-N 3.07Å; Y201-I203 PolarHBondContact O-N 2.91Å; I203-K205 PolarHBondContact O-N 2.68Å | ||
| 204 | A | 62.2 | Low | 70.7 | Confident | 63 Ų | 63 | 125.3 Ų | 125.3 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | trans | -73.2 | 54.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R198 Q199 G202 | R198-A204 PolarHBondContact O-N 3.2Å; Q199-A204 HydrophobicContact CG-CB 4.15Å; G202-A204 VanDerWaalsContact C-N 3.32Å | ||
| 205 | K | 62.8 | Low | 69 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 74% | 0.735 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -73.9 | 137.6 | 158.7 | -160 | 176.4 | -178.1 | -177.2 | 0 | 107 | I203 N207 | I203-K205 PolarHBondContact O-N 2.68Å; K205-N207 PolarHBondContact O-N 2.98Å |
| 206 | E | 60.2 | Low | 68.1 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -35 | 105.5 | -177.1 | 64.4 | -148.5 | 157 | 0 | 0 | 112.8 | P208 | E206-P208 VanDerWaalsContact O-CD 3.28Å; E206-P208 WeakPolarHBondContact O-CD 3.28Å | ||
| 207 | N | 59.6 | Low | 67 | Low | 103 Ų | 103 | 137.5 Ų | 137.5 | 55% | 0.551 | 68% | 0.684 | S | S | * | * | trans | -78.7 | 116.2 | 174.1 | -177.6 | 2.2 | 0 | 0 | 0 | 107.4 | K205 Y209 A210 | K205-N207 PolarHBondContact O-N 2.98Å; N207-Y209 PolarHBondContact O-N 3.11Å; N207-Y209 PolarHBondContact OD1-N 3.35Å; N207-A210 PolarHBondContact O-N 3.28Å; N207-A210 VanDerWaalsContact O-N 3.11Å | ||
| 208 | P | 62.4 | Low | 66 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -15.2 | -177.5 | -23.4 | 33.8 | 0 | 0 | 0 | 114.5 | E206 | E206-P208 VanDerWaalsContact O-CD 3.28Å; E206-P208 WeakPolarHBondContact O-CD 3.28Å |
| 209 | Y | 56.3 | Low | 64.9 | Low | 160 Ų | 160 | 141.6 Ų | 141.6 | 63% | 0.627 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -11.3 | -179.6 | -77 | -84.5 | 0 | 0 | 0 | 115.3 | N207 R211 M212 | N207-Y209 PolarHBondContact O-N 3.11Å; N207-Y209 PolarHBondContact OD1-N 3.35Å; Y209-R211 PolarHBondContact O-N 2.92Å; Y209-R211 VanDerWaalsContact O-N 3.12Å; Y209-M212 HydrophobicContact CD1-SD 3.81Å; Y209-M212 HydrophobicContact CE1-SD 4.13Å; Y209-M212 PolarHBondContact O-N 3.12Å |
| 210 | A | 61 | Low | 63.8 | Low | 71 Ų | 71 | 141.7 Ų | 141.7 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -14 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N207 | N207-A210 PolarHBondContact O-N 3.28Å; N207-A210 VanDerWaalsContact O-N 3.11Å |
| 211 | R | 58.1 | Low | 62.4 | Low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -10.4 | -179.8 | -163.8 | 176 | -171.7 | 125.6 | 3.2 | 113.7 | Y209 | Y209-R211 PolarHBondContact O-N 2.92Å; Y209-R211 VanDerWaalsContact O-N 3.12Å |
| 212 | M | 60.4 | Low | 60.9 | Low | 141 Ų | 141 | 138.7 Ų | 138.7 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -7.3 | -172.4 | -71.3 | -178.9 | 146.3 | 0 | 0 | 114.3 | Y209 | Y209-M212 HydrophobicContact CD1-SD 3.81Å; Y209-M212 HydrophobicContact CE1-SD 4.13Å; Y209-M212 PolarHBondContact O-N 3.12Å |
| 213 | D | 60.1 | Low | 60.1 | Low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 1.7 | -175.8 | -67.1 | -42.3 | 0 | 0 | 0 | 114.1 | ||
| 214 | D | 57.4 | Low | 59.3 | Low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | -93.3 | 18.4 | -175.6 | -76.7 | -41.3 | 0 | 0 | 0 | 115.1 | ||||
| 215 | H | 50.9 | Low | 59 | Low | 254 Ų | 254 | 153.8 Ų | 153.8 | 100% | 1.176 | 75% | 0.753 | S | S | * | * | trans | -124.5 | 0 | -175.8 | -116.6 | -56 | 0 | 0 | 0 | 115.7 |
Retrieved 215 of 215 residues in 392.5 ms
(Link to these results)