| 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 | 56.6 | Low | 47.5 | Very low | 249 Ų | 249 | 144.8 Ų | 144.8 | 100% | 1.227 | 86% | 0.855 | S | S | * | * | 0 | 106.9 | 0 | -100.5 | 170 | 179.3 | 0 | 0 | 107.3 | |||||
| 2 | E | 45.4 | Very low | 47 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | trans | -79.5 | 174.4 | -177.4 | -69.5 | 154.2 | 100.4 | 0 | 0 | 112.5 | ||||
| 3 | A | 46.2 | Very low | 47.2 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | 80.4 | 138.5 | 160 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 4 | R | 47.4 | Very low | 46.9 | Very low | 224 Ų | 224 | 144.2 Ų | 144.2 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | cis | -175.5 | 143.3 | 3.2 | 167 | 177.7 | -174.3 | 99.9 | -2.6 | 107.4 | ||||
| 5 | A | 42.6 | Very low | 46.8 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 83% | 0.825 | S | S | * | * | trans | -74.2 | 157.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 6 | Q | 60.1 | Low | 46.5 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -154 | 125.1 | 150.7 | -113.6 | 164.5 | 23.8 | 0 | 0 | 112.3 | ||||
| 7 | S | 43 | Very low | 46 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -93.8 | 167.9 | 179.1 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 8 | G | 45.1 | Very low | 45.9 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | 157.6 | 106.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | N | 41.4 | Very low | 45.8 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 96% | 0.957 | 82% | 0.82 | S | S | * | * | cis | 98.1 | 131.7 | 41.6 | -159.1 | 52.8 | 0 | 0 | 0 | 113.2 | ||||
| 10 | G | 44.7 | Very low | 45.6 | Very low | 60 Ų | 60 | 147.4 Ų | 147.4 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | 124.6 | 135 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 11 | S | 49.7 | Very low | 45.4 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | cis | -165.6 | 145.8 | 0.4 | -43.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 12 | Q | 41.8 | Very low | 44.6 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 177 | 168.4 | -71.8 | -90.1 | -0.9 | 0 | 0 | 111.1 | ||||
| 13 | P | 49.3 | Very low | 44.3 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | -161.8 | 167.2 | 81.1 | 42.3 | -20.2 | 0 | 0 | 0 | 120.1 | |||||
| 14 | L | 43.5 | Very low | 44.2 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 73.6 | 120.1 | 139.1 | -82.7 | 159 | 0 | 0 | 0 | 118.6 | ||||
| 15 | L | 45.4 | Very low | 44 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | -166.3 | 140.4 | 65.7 | -83.4 | 161.5 | 0 | 0 | 0 | 114 | |||||
| 16 | Q | 41.8 | Very low | 44 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 76.6 | 96.5 | 140.3 | -67.4 | 172.1 | 14.1 | 0 | 0 | 123 | ||||
| 17 | T | 37.5 | Very low | 43.2 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -65.4 | -170.1 | 148.2 | -14 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | P | 45.5 | Very low | 43.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -149.3 | -176.2 | -3.7 | 29.4 | -2.6 | 0 | 0 | 0 | 119.3 | ||||
| 19 | R | 42.5 | Very low | 43.6 | Very low | 232 Ų | 232 | 138.1 Ų | 138.1 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | 100.3 | 134.6 | 160.6 | -68.5 | -170.8 | 159.9 | 140.7 | -3.6 | 114.8 | ||||
| 20 | D | 42.3 | Very low | 44.1 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | cis | -159.7 | 131 | 19.1 | -129.2 | -39.4 | 0 | 0 | 0 | 105.3 | ||||
| 21 | G | 41.5 | Very low | 44.5 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | 121 | 126.9 | 84.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 22 | G | 39.7 | Very low | 44.4 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 96.1 | 75.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 23 | R | 40.3 | Very low | 44.5 | Very low | 227 Ų | 227 | 136.5 Ų | 136.5 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | 72.7 | 110.6 | 94.6 | -128.4 | -157.6 | 174.6 | 175.5 | -0.9 | 117.5 | |||||
| 24 | Q | 43.8 | Very low | 44.3 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 84.9 | 85.4 | 149.8 | -48.8 | -133.3 | 94.5 | 0 | 0 | 119.1 | ||||
| 25 | R | 43.2 | Very low | 44.4 | Very low | 229 Ų | 229 | 137.9 Ų | 137.9 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -88.9 | 112.2 | 159.9 | -164.1 | -178.7 | -150.8 | -94.5 | 2.5 | 107.9 | ||||
| 26 | G | 43 | Very low | 44.1 | Very low | 67 Ų | 67 | 139.3 Ų | 139.3 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 135.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | P28 | G26-P28 WeakPolarHBondContact O-CD 3.36Š|
| 27 | E | 42.4 | Very low | 44.1 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 118.2 | -179.7 | -159.1 | -99.1 | 133.7 | 0 | 0 | 108.4 | ||
| 28 | P | 50.5 | Low | 44.8 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 129.6 | 170.3 | 27.8 | -16.1 | 0 | 0 | 0 | 110.2 | G26 | G26-P28 WeakPolarHBondContact O-CD 3.36Š|
| 29 | D | 46.1 | Very low | 45.4 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 47% | 0.471 | 74% | 0.743 | S | S | . | * | trans | -36.8 | 132.9 | 176.9 | -173.8 | 13.4 | 0 | 0 | 0 | 114.3 | R31 D32 | D29-R31 PolarHBondContact O-N 3.09Å; D29-D32 PolarHBondContact O-N 3.17Å; D29-D32 VanDerWaalsContact O-N 3.13Å | ||
| 30 | P | 52.2 | Low | 46.4 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 4.2 | 176.4 | 22.8 | -33.6 | 0 | 0 | 0 | 115.4 | ||
| 31 | R | 53 | Low | 47.9 | Very low | 212 Ų | 212 | 131.5 Ų | 131.5 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -13.5 | 172.8 | -51.6 | -156.3 | 111.4 | -168.9 | 2.8 | 114 | D29 | D29-R31 PolarHBondContact O-N 3.09Š|
| 32 | D | 46.9 | Very low | 49.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -88.9 | -8.5 | 174.4 | -90.4 | -49.4 | 0 | 0 | 0 | 114.1 | D29 L34 T35 | D29-D32 PolarHBondContact O-N 3.17Å; D29-D32 VanDerWaalsContact O-N 3.13Å; D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 2.97Å; D32-T35 PolarHBondContact O-OG1 2.94Å; D32-T35 VanDerWaalsContact O-OG1 3.08Å |
| 33 | A | 44.1 | Very low | 51.2 | Low | 78 Ų | 78 | 132.5 Ų | 132.5 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -78.8 | -12.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T35 | A33-T35 VanDerWaalsContact C-N 3.34Š|
| 34 | L | 45 | Very low | 53 | Low | 167 Ų | 167 | 127.1 Ų | 127.1 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -88 | -5.8 | -178.6 | -135.8 | 136.8 | 0 | 0 | 0 | 113.1 | D32 | D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 2.97Å |
| 35 | T | 45.6 | Very low | 54.5 | Low | 112 Ų | 112 | 123.1 Ų | 123.1 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -94.1 | 4.4 | -180 | 5.6 | 0 | 0 | 0 | 0 | 113.5 | D32 A33 | D32-T35 PolarHBondContact O-OG1 2.94Å; D32-T35 VanDerWaalsContact O-OG1 3.08Å; A33-T35 VanDerWaalsContact C-N 3.34Å |
| 36 | Q | 40 | Very low | 55.9 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -130.7 | 62.8 | -166.4 | -157.5 | 164.9 | 43.2 | 0 | 0 | 113.6 | ||
| 37 | Q | 41.6 | Very low | 57.3 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 86% | 0.86 | 63% | 0.625 | S | S | * | * | trans | -169.9 | 65.1 | 149.1 | -111 | 173.1 | 61.8 | 0 | 0 | 110.9 | H39 | Q37-H39 VanDerWaalsContact C-N 3.29Å; Q37-H39 PolarHBondContact O-N 2.92Å | ||
| 38 | V | 52.7 | Low | 58.7 | Low | 130 Ų | 130 | 115.7 Ų | 115.7 | 79% | 0.788 | 62% | 0.619 | S | S | * | * | trans | -71.5 | 98.3 | 156.1 | -179.3 | 0 | 0 | 0 | 0 | 105.6 | V40 | V38-V40 VanDerWaalsContact C-N 3.28Å; V38-V40 PolarHBondContact O-N 2.93Å | ||
| 39 | H | 58.1 | Low | 59.4 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | trans | -64.4 | 90.9 | 175.7 | -173.6 | -75.5 | 0 | 0 | 0 | 108.5 | Q37 L41 | Q37-H39 VanDerWaalsContact C-N 3.29Å; Q37-H39 PolarHBondContact O-N 2.92Å; H39-L41 PolarHBondContact O-N 2.87Å | ||
| 40 | V | 63.2 | Low | 60 | Low | 124 Ų | 124 | 120 Ų | 120 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | trans | -65.6 | 101.9 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 107.1 | V38 S42 | V38-V40 VanDerWaalsContact C-N 3.28Å; V38-V40 PolarHBondContact O-N 2.93Å; V40-S42 PolarHBondContact O-N 2.85Å | ||
| 41 | L | 74.2 | Confident | 60.2 | Low | 55 Ų | 55 | 121.3 Ų | 121.3 | 29% | 0.288 | 63% | 0.626 | S | S | . | * | trans | -55.3 | 134.2 | 172.8 | -67.8 | 163.1 | 0 | 0 | 0 | 108.5 | H39 Q45 I46 I49 | H39-L41 PolarHBondContact O-N 2.87Å; L41-Q45 HydrophobicContact CB-CB 4.12Å; L41-Q45 HydrophobicContact CB-CG 4.46Å; L41-Q45 HydrophobicContact CD2-CB 4.26Å; L41-Q45 HydrophobicContact CD2-CG 3.67Å; L41-I46 HydrophobicContact CB-CD1 4.44Å; L41-I46 HydrophobicContact CB-CG1 3.68Å; L41-I46 WeakPolarHBondContact O-CD1 3.39Å; L41-I49 HydrophobicContact CD1-CD1 3.68Å; L41-I49 HydrophobicContact CD2-CD1 4.14Å | ||
| 42 | S | 77.3 | Confident | 60.2 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | trans | -57.3 | 154.2 | 174.3 | 70.2 | 0 | 0 | 0 | 0 | 110 | V40 D44 Q45 I46 | V40-S42 PolarHBondContact O-N 2.85Å; S42-D44 PolarHBondContact O-N 3.08Å; S42-Q45 CarbonylContact O-C 3.57Å; S42-Q45 WeakPolarHBondContact O-CA 3.3Å; S42-Q45 WeakPolarHBondContact O-CB 3.48Å; S42-Q45 PolarHBondContact O-N 2.74Å; S42-Q45 WeakPolarHBondContact OG-CB 3.42Å; S42-Q45 PolarHBondContact OG-N 2.81Å; S42-I46 PolarHBondContact O-N 3Å | ||
| 43 | L | 72.3 | Confident | 60.6 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -54 | -32.8 | -178.6 | -124.2 | 177.4 | 0 | 0 | 0 | 112.1 | R47 | L43-R47 WeakPolarHBondContact O-CB 3.26Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.13Å |
| 44 | D | 77.6 | Confident | 61.3 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 61% | 0.61 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.7 | -35.2 | 175 | -62.8 | -40.8 | 0 | 0 | 0 | 112.8 | S42 R47 A48 | S42-D44 PolarHBondContact O-N 3.08Å; D44-R47 PolarHBondContact O-N 2.71Å; D44-A48 WeakPolarHBondContact O-CB 3.49Å; D44-A48 PolarHBondContact O-N 3.28Å |
| 45 | Q | 76.8 | Confident | 62 | Low | 84 Ų | 84 | 121.7 Ų | 121.7 | 39% | 0.393 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75 | -34.5 | 176.4 | -154.1 | 178 | -3.1 | 0 | 0 | 111.5 | L41 S42 A48 I49 | L41-Q45 HydrophobicContact CB-CB 4.12Å; L41-Q45 HydrophobicContact CB-CG 4.46Å; L41-Q45 HydrophobicContact CD2-CB 4.26Å; L41-Q45 HydrophobicContact CD2-CG 3.67Å; S42-Q45 CarbonylContact O-C 3.57Å; S42-Q45 WeakPolarHBondContact O-CA 3.3Å; S42-Q45 WeakPolarHBondContact O-CB 3.48Å; S42-Q45 PolarHBondContact O-N 2.74Å; S42-Q45 WeakPolarHBondContact OG-CB 3.42Å; S42-Q45 PolarHBondContact OG-N 2.81Å; Q45-A48 PolarHBondContact O-N 3.43Å; Q45-I49 HydrophobicContact CG-CD1 4.25Å; Q45-I49 WeakPolarHBondContact O-CD1 3.36Å; Q45-I49 VanDerWaalsContact O-CG1 3.25Å; Q45-I49 WeakPolarHBondContact O-CG1 3.46Å; Q45-I49 PolarHBondContact O-N 2.99Å; Q45-I49 VanDerWaalsContact O-N 3.09Å |
| 46 | I | 70.9 | Confident | 63 | Low | 61 Ų | 61 | 121.3 Ų | 121.3 | 31% | 0.313 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.9 | -46.5 | 169.3 | -61.4 | 171.7 | 0 | 0 | 0 | 109.8 | L41 S42 A48 I49 R50 | L41-I46 HydrophobicContact CB-CD1 4.44Å; L41-I46 HydrophobicContact CB-CG1 3.68Å; L41-I46 WeakPolarHBondContact O-CD1 3.39Å; S42-I46 PolarHBondContact O-N 3Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 2.94Å; I46-I49 PolarHBondContact O-N 2.84Å; I46-R50 VanDerWaalsContact O-CB 3.3Å; I46-R50 WeakPolarHBondContact O-CB 3.49Å; I46-R50 PolarHBondContact O-N 2.98Å |
| 47 | R | 73.6 | Confident | 63.6 | Low | 159 Ų | 159 | 122.2 Ų | 122.2 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.1 | -35.8 | 176.3 | -76.4 | 175 | -170.7 | 169.8 | 2.1 | 112.7 | L43 D44 N51 | L43-R47 WeakPolarHBondContact O-CB 3.26Å; L43-R47 VanDerWaalsContact O-CG 3.3Å; L43-R47 WeakPolarHBondContact O-CG 3.44Å; L43-R47 PolarHBondContact O-N 3.13Å; D44-R47 PolarHBondContact O-N 2.71Å; R47-N51 PolarHBondContact O-N 3.45Å |
| 48 | A | 70.2 | Confident | 64.3 | Low | 74 Ų | 74 | 115.5 Ų | 115.5 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.7 | -30.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D44 Q45 I46 | D44-A48 WeakPolarHBondContact O-CB 3.49Å; D44-A48 PolarHBondContact O-N 3.28Å; Q45-A48 PolarHBondContact O-N 3.43Å; I46-A48 VanDerWaalsContact C-N 3.28Å; I46-A48 PolarHBondContact O-N 2.94Å |
| 49 | I | 66.1 | Low | 64.2 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 55% | 0.549 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -90.8 | -30.3 | -179.5 | -63.2 | 162.8 | 0 | 0 | 0 | 111.6 | L41 Q45 I46 | L41-I49 HydrophobicContact CD1-CD1 3.68Å; L41-I49 HydrophobicContact CD2-CD1 4.14Å; Q45-I49 HydrophobicContact CG-CD1 4.25Å; Q45-I49 WeakPolarHBondContact O-CD1 3.36Å; Q45-I49 VanDerWaalsContact O-CG1 3.25Å; Q45-I49 WeakPolarHBondContact O-CG1 3.46Å; Q45-I49 PolarHBondContact O-N 2.99Å; Q45-I49 VanDerWaalsContact O-N 3.09Å; I46-I49 PolarHBondContact O-N 2.84Å |
| 50 | R | 59.7 | Low | 63.9 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 62% | 0.619 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -97.4 | 10.5 | -177.9 | -92.4 | -176.7 | 151.9 | 167.6 | -2.6 | 115.6 | I46 T52 | I46-R50 VanDerWaalsContact O-CB 3.3Å; I46-R50 WeakPolarHBondContact O-CB 3.49Å; I46-R50 PolarHBondContact O-N 2.98Å; R50-T52 PolarHBondContact O-N 3.13Å |
| 51 | N | 56.3 | Low | 63.2 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -68.3 | -3.8 | -179.4 | 99.1 | -21.9 | 0 | 0 | 0 | 114.1 | R47 | R47-N51 PolarHBondContact O-N 3.45Š|
| 52 | T | 51.5 | Low | 61.9 | Low | 112 Ų | 112 | 116.6 Ų | 116.6 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | trans | -119.8 | 73.1 | 170.7 | 61 | 0 | 0 | 0 | 0 | 110.3 | R50 E54 | R50-T52 PolarHBondContact O-N 3.13Å; T52-E54 PolarHBondContact O-N 3.31Å | ||
| 53 | N | 55.9 | Low | 60.4 | Low | 71 Ų | 71 | 118.7 Ų | 118.7 | 38% | 0.38 | 63% | 0.633 | S | S | . | * | trans | -87.8 | 94.1 | 165.2 | -80.1 | -9.3 | 0 | 0 | 0 | 108.7 | Y55 T56 | N53-Y55 PolarHBondContact O-N 3.34Å; N53-Y55 VanDerWaalsContact O-N 3.08Å; N53-T56 WeakPolarHBondContact CB-OG1 3.35Å; N53-T56 PolarHBondContact O-N 3.39Å; N53-T56 PolarHBondContact O-OG1 2.78Å; N53-T56 VanDerWaalsContact O-OG1 3.06Å | ||
| 54 | E | 59.4 | Low | 59 | Low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -13.7 | 179.3 | -162.3 | 162.3 | 109.5 | 0 | 0 | 113.5 | T52 | T52-E54 PolarHBondContact O-N 3.31Š|
| 55 | Y | 58.8 | Low | 57.4 | Low | 210 Ų | 210 | 124 Ų | 124 | 82% | 0.824 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -8 | -178.5 | -72.7 | -84.4 | 0 | 0 | 0 | 115.6 | N53 | N53-Y55 PolarHBondContact O-N 3.34Å; N53-Y55 VanDerWaalsContact O-N 3.08Å |
| 56 | T | 66.6 | Low | 55.6 | Low | 105 Ų | 105 | 123.5 Ų | 123.5 | 64% | 0.644 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -95.8 | -8.9 | -177.3 | 27.2 | 0 | 0 | 0 | 0 | 114.7 | N53 G58 | N53-T56 WeakPolarHBondContact CB-OG1 3.35Å; N53-T56 PolarHBondContact O-N 3.39Å; N53-T56 PolarHBondContact O-OG1 2.78Å; N53-T56 VanDerWaalsContact O-OG1 3.06Å; T56-G58 PolarHBondContact O-N 3.22Å; T56-G58 VanDerWaalsContact O-N 3.15Å |
| 57 | E | 52.6 | Low | 54.3 | Low | 181 Ų | 181 | 127.9 Ų | 127.9 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | trans | -92.7 | 54.5 | 179.2 | -50.8 | -158.6 | -171.6 | 0 | 0 | 110.8 | ||||
| 58 | G | 57.4 | Low | 52.9 | Low | 44 Ų | 44 | 129.5 Ų | 129.5 | 45% | 0.454 | 71% | 0.705 | S | S | . | * | trans | -66.4 | 153.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T56 T60 | T56-G58 PolarHBondContact O-N 3.22Å; T56-G58 VanDerWaalsContact O-N 3.15Å; G58-T60 PolarHBondContact O-N 3.2Å | ||
| 59 | P | 49.6 | Very low | 51.5 | Low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -63.4 | 101.6 | -165.6 | 25.2 | -33 | 0 | 0 | 0 | 111.4 | V61 | P59-V61 PolarHBondContact O-N 3.05Å; P59-V61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | T | 51.5 | Low | 50.5 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -64.8 | 113 | 169.6 | -55.2 | 0 | 0 | 0 | 0 | 108.3 | G58 V62 | G58-T60 PolarHBondContact O-N 3.2Å; T60-V62 PolarHBondContact O-N 3.14Å; T60-V62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | V | 49.3 | Very low | 50 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | trans | -54.3 | 115 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 109 | P59 P63 | P59-V61 PolarHBondContact O-N 3.05Å; P59-V61 VanDerWaalsContact O-N 3.1Å; V61-P63 WeakPolarHBondContact O-CD 3.36Å | ||
| 62 | V | 46.5 | Very low | 49.3 | Very low | 94 Ų | 94 | 135 Ų | 135 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 123.2 | 165.7 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | T60 R64 | T60-V62 PolarHBondContact O-N 3.14Å; T60-V62 VanDerWaalsContact O-N 3.14Å; V62-R64 PolarHBondContact O-N 3.37Å |
| 63 | P | 46.3 | Very low | 48.8 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.1 | 171.5 | -18 | 30.7 | 0 | 0 | 0 | 109.8 | V61 | V61-P63 WeakPolarHBondContact O-CD 3.36Š|
| 64 | R | 41.5 | Very low | 48 | Very low | 215 Ų | 215 | 136.9 Ų | 136.9 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 131.4 | 172.2 | -82 | -167.2 | -175.7 | -168.3 | 2.5 | 110 | V62 | V62-R64 PolarHBondContact O-N 3.37Š|
| 65 | P | 45.3 | Very low | 47.2 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 139.1 | 164.3 | -19.3 | 32.2 | 0 | 0 | 0 | 110.7 | ||
| 66 | G | 38.2 | Very low | 46.5 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 127.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 67 | L | 43.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 136 Ų | 136 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -80.7 | 105.6 | 150.9 | -84 | 152.2 | 0 | 0 | 0 | 107.4 | ||||
| 68 | K | 44.1 | Very low | 44.6 | Very low | 194 Ų | 194 | 136.1 Ų | 136.1 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.1 | 169.5 | -71.1 | 178.1 | 175.1 | 179.5 | 0 | 109.3 | A70 | K68-A70 PolarHBondContact O-N 3.06Š|
| 69 | P | 40.4 | Very low | 44 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74 | 124.9 | 175.9 | 28.6 | -29.2 | 0 | 0 | 0 | 109.8 | ||
| 70 | A | 45.3 | Very low | 43.5 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 131.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K68 | K68-A70 PolarHBondContact O-N 3.06Š|
| 71 | P | 49.5 | Very low | 42.8 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 138.2 | 159.9 | 1 | 18.9 | 0 | 0 | 0 | 110.6 | ||
| 72 | R | 42 | Very low | 42.4 | Very low | 245 Ų | 245 | 146.7 Ų | 146.7 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 169.9 | 179.4 | -96.1 | -171.3 | -166.6 | -144.3 | 4.8 | 112.9 | ||
| 73 | P | 41.7 | Very low | 42.2 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -115.1 | 174.1 | -127.2 | 42.9 | -36.8 | 0 | 0 | 0 | 115.1 | |||||
| 74 | S | 39.4 | Very low | 41.6 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -156.5 | 105.5 | 153.5 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 75 | T | 41.6 | Very low | 41.7 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | 53 | 138.1 | 129.2 | 63.3 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 76 | Q | 44.3 | Very low | 41.4 | Very low | 176 Ų | 176 | 145.7 Ų | 145.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 88.3 | 139.1 | 156.2 | -58.6 | -168.6 | 1 | 0 | 0 | 117.1 | ||||
| 77 | H | 40.3 | Very low | 41.5 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | cis | -172.4 | 162 | -16.7 | -132.4 | -98.9 | 0 | 0 | 0 | 105.7 | ||||
| 78 | K | 39.2 | Very low | 41.3 | Very low | 184 Ų | 184 | 151 Ų | 151 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 95.6 | 104.7 | 153.6 | -147.5 | 172.2 | -177.3 | 179.6 | 0 | 117.5 | ||||
| 79 | H | 43.6 | Very low | 41.2 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | 61.7 | 131.5 | 87.1 | -113.9 | -158.5 | 0 | 0 | 0 | 112.7 | |||||
| 80 | E | 39.7 | Very low | 41.3 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -164.7 | 141.3 | 31.8 | -96 | 157.1 | 87.9 | 0 | 0 | 107.6 | ||||
| 81 | R | 38.1 | Very low | 41.6 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | 81.8 | 119.9 | 83.2 | -138.7 | -165.1 | -162.1 | 161 | 6 | 117 | |||||
| 82 | L | 40.5 | Very low | 41.3 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | trans | 100 | 140.1 | 131.1 | -135.4 | 64.2 | 0 | 0 | 0 | 122.6 | ||||
| 83 | H | 42.3 | Very low | 41.1 | Very low | 170 Ų | 170 | 154.2 Ų | 154.2 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | 84.5 | 126.4 | 163.1 | -58.1 | -76.8 | 0 | 0 | 0 | 117.8 | ||||
| 84 | G | 33.6 | Very low | 41.5 | Very low | 67 Ų | 67 | 156.3 Ų | 156.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | cis | 115.3 | 96.2 | 9.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 85 | L | 42.6 | Very low | 41.7 | Very low | 172 Ų | 172 | 159.6 Ų | 159.6 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | trans | 178.9 | 135.4 | 145.2 | -132.8 | 97.1 | 0 | 0 | 0 | 112.2 | ||||
| 86 | P | 39.4 | Very low | 41.4 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -112.5 | 153.7 | 164.3 | 37.3 | -25.7 | 0 | 0 | 0 | 112.3 | ||||
| 87 | E | 39.6 | Very low | 41.3 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | 153.9 | 120.7 | 147.9 | -94 | -172.8 | 79.4 | 0 | 0 | 111.2 | ||||
| 88 | H | 41.2 | Very low | 41.2 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | -163.7 | 119.9 | 128.3 | -142.6 | 21.1 | 0 | 0 | 0 | 115.6 | |||||
| 89 | R | 41.9 | Very low | 41.5 | Very low | 209 Ų | 209 | 155.9 Ų | 155.9 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | 70.2 | 111.2 | 137 | -103.1 | -176.7 | 177.1 | 119.3 | -2.1 | 123.2 | ||||
| 90 | Q | 40.8 | Very low | 41.4 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -100.2 | -170 | 144.3 | -88.2 | -162.9 | -4.3 | 0 | 0 | 109.5 | ||||
| 91 | P | 52.2 | Low | 41.3 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | -130.3 | -152.6 | -51.8 | 39.4 | -19.3 | 0 | 0 | 0 | 109.9 | |||||
| 92 | P | 44.3 | Very low | 41.6 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -150.6 | -168 | 63.8 | 38 | -12.2 | 0 | 0 | 0 | 116.8 | |||||
| 93 | R | 37.1 | Very low | 41.5 | Very low | 234 Ų | 234 | 149.8 Ų | 149.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -109.7 | 150.1 | -154 | -179.3 | -170.2 | -156 | 157.2 | 3 | 112.8 | ||||
| 94 | L | 49.3 | Very low | 41.6 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -146.5 | 101.6 | 162.1 | -92.9 | 150.1 | 0 | 0 | 0 | 108.2 | ||||
| 95 | Q | 44.2 | Very low | 42.2 | Very low | 174 Ų | 174 | 154.6 Ų | 154.6 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | 56.5 | 104.5 | 100.4 | -74.2 | -174.5 | 30.5 | 0 | 0 | 115.2 | |||||
| 96 | H | 35.4 | Very low | 42.5 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.787 | 81% | 0.805 | S | S | * | * | 88 | 111.2 | 78.7 | -140.6 | 91.2 | 0 | 0 | 0 | 114.1 | |||||
| 97 | S | 42.2 | Very low | 42.7 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -170.9 | 127.9 | 133 | -132.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 98 | Q | 37.9 | Very low | 42.7 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -84.9 | 148.8 | 173.9 | -64.3 | -177.8 | -46.9 | 0 | 0 | 111.3 | ||||
| 99 | V | 45.1 | Very low | 42.9 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -150.4 | 111.8 | 143.7 | -177 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 100 | H | 42 | Very low | 42.8 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | trans | 40.7 | 126.8 | 138 | -68.5 | -91.2 | 0 | 0 | 0 | 125.4 | ||||
| 101 | S | 36.8 | Very low | 43.3 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -52.6 | 150.6 | 156.1 | -49.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 102 | S | 46 | Very low | 42.7 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -164.8 | 142.3 | 130.4 | -156.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 103 | A | 37.7 | Very low | 42.9 | Very low | 91 Ų | 91 | 150 Ų | 150 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -91.7 | 150.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 104 | R | 43.3 | Very low | 43.4 | Very low | 244 Ų | 244 | 144.9 Ų | 144.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -165 | 105.9 | 146.4 | -146.5 | 159.8 | -173.9 | 147.8 | 0.6 | 114.4 | ||||
| 105 | A | 47.9 | Very low | 42.9 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | 42.7 | 157.4 | 124.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 106 | P | 47.4 | Very low | 42.9 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -111.6 | 172.7 | -146.7 | 41.4 | -30.4 | 0 | 0 | 0 | 114.8 | ||||
| 107 | L | 45.1 | Very low | 43 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | -134.5 | 111.3 | 170.7 | -73.4 | 174.3 | 0 | 0 | 0 | 113.4 | ||||
| 108 | S | 39.7 | Very low | 43.2 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | 26.3 | 126 | 133.9 | -52.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 109 | R | 45.1 | Very low | 43.4 | Very low | 243 Ų | 243 | 139.5 Ų | 139.5 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | -161.1 | 116.6 | 122.1 | -152.3 | 165.2 | -75.6 | 143.5 | -3.4 | 112.6 | |||||
| 110 | S | 40 | Very low | 43.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -76.1 | 146.9 | 169.5 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 111 | I | 51.2 | Low | 43.4 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | trans | -129.9 | 115.6 | 156.6 | -72.8 | 179.1 | 0 | 0 | 0 | 107.8 | ||||
| 112 | S | 39 | Very low | 43.7 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -84 | 136.3 | 162.3 | 35.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 113 | T | 48.3 | Very low | 43.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -145.7 | 138.7 | 151 | 34.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 114 | V | 48.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -104.4 | 151.4 | -166.8 | -77.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 115 | S | 37.5 | Very low | 44.3 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 60.5 | 111.1 | 141.5 | -52.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 116 | S | 45.1 | Very low | 44.2 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -170.8 | 122.9 | 135.8 | -75.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 117 | G | 37.3 | Very low | 44.1 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 94 | 85.7 | 31.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 118 | S | 45.6 | Very low | 43.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 161.9 | 105.7 | 156.4 | -75.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | R | 43.4 | Very low | 44.1 | Very low | 243 Ų | 243 | 136.4 Ų | 136.4 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | 47.7 | 98.3 | 76.4 | -73.8 | -172.1 | 155.9 | -166.1 | -5.5 | 114.8 | |||||
| 120 | S | 45.9 | Very low | 44.1 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -177 | 112.8 | 131 | -83.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 121 | S | 40.1 | Very low | 44.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -119.3 | 117.4 | 165.9 | -66.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 122 | T | 43.8 | Very low | 44.1 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -168.8 | 100.6 | 163.6 | -2.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 123 | R | 48.5 | Very low | 44.3 | Very low | 234 Ų | 234 | 132.2 Ų | 132.2 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | 56.8 | 119.5 | 105.2 | -81.5 | -180 | 67.5 | -171.8 | 0.7 | 115.7 | |||||
| 124 | T | 45.9 | Very low | 44.1 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 172.1 | 105.6 | 132.5 | 30.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 125 | S | 45.3 | Very low | 43.7 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | 67.1 | 105.5 | 88.2 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 126 | T | 45.5 | Very low | 44.1 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | 78.8 | 113.5 | 112.7 | 57.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 127 | S | 45.3 | Very low | 43.8 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | 155.3 | 145 | 116.1 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 128 | S | 41.2 | Very low | 43.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -107.7 | -177.2 | -168.2 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 129 | S | 44.7 | Very low | 43.6 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 98.5 | 113.6 | 163.5 | 77.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 130 | S | 43.2 | Very low | 43.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | 86.9 | 141.3 | 85.1 | -179 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 131 | S | 48.7 | Very low | 43.5 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 57% | 0.573 | 79% | 0.793 | S | S | * | * | cis | -171.2 | 148.2 | -3.7 | -94.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 132 | E | 42.3 | Very low | 43.6 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 59.4 | 153.3 | 134.4 | -54.3 | 175.3 | 153.5 | 0 | 0 | 122.8 | ||||
| 133 | Q | 44.6 | Very low | 43.3 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 91.5 | 97.2 | 157.3 | -51 | 178.2 | 7.7 | 0 | 0 | 117.6 | ||||
| 134 | R | 42.8 | Very low | 42.9 | Very low | 245 Ų | 245 | 129.8 Ų | 129.8 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | -180 | 99.8 | 108.3 | -99.3 | -177.1 | 166.6 | -170.1 | -3.6 | 111.5 | |||||
| 135 | L | 41.2 | Very low | 43 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -95 | 158.8 | 146.3 | -79 | 168.1 | 0 | 0 | 0 | 107.7 | ||||
| 136 | L | 45.6 | Very low | 43.2 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | 94.8 | 113.6 | 175.7 | -49 | 179.7 | 0 | 0 | 0 | 115.4 | ||||
| 137 | G | 39 | Very low | 43.3 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 153.3 | 75.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 138 | S | 39.8 | Very low | 43.7 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 171.8 | 106.2 | 124.7 | -86.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 139 | S | 39.1 | Very low | 44.3 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -90.4 | 121 | 157.5 | -53.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 140 | F | 45.3 | Very low | 44.8 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -132.8 | 108 | 157.9 | -70.5 | -77.1 | 0 | 0 | 0 | 105.4 | ||||
| 141 | S | 42 | Very low | 45.7 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | 91.6 | 93.1 | 91 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 142 | S | 42.1 | Very low | 46.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 41.8 | 112.2 | 132.2 | -44.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 143 | G | 37.7 | Very low | 47.3 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 176.4 | 119.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 144 | P | 40.5 | Very low | 48.2 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -95.1 | 123.1 | -178.7 | 34.5 | -26.7 | 0 | 0 | 0 | 111 | ||||
| 145 | V | 46.3 | Very low | 48.5 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -144.5 | 106.2 | 168.3 | -170.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 146 | A | 50.8 | Low | 49.1 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | 42.6 | 122.3 | 104.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 147 | D | 48 | Very low | 49 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | cis | 174.4 | 159.5 | 37.7 | -178.8 | 18.2 | 0 | 0 | 0 | 104.7 | ||||
| 148 | G | 52.6 | Low | 49.5 | Very low | 59 Ų | 59 | 136.4 Ų | 136.4 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | 102.2 | 53.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | I150 | G148-I150 PolarHBondContact O-N 2.95Š| ||
| 149 | I | 54.6 | Low | 49.6 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -77.1 | 109.2 | 156.6 | -65.5 | 167.8 | 0 | 0 | 0 | 107.9 | R151 | I149-R151 PolarHBondContact O-N 3.33Š| ||
| 150 | I | 55.6 | Low | 49.8 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 101.7 | 175.3 | -58.4 | 170.5 | 0 | 0 | 0 | 108.6 | G148 | G148-I150 PolarHBondContact O-N 2.95Š| ||
| 151 | R | 60.5 | Low | 49.6 | Very low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -98.2 | 9.1 | -173.9 | -121.5 | -176.4 | -143.5 | -127.1 | 4.3 | 115.2 | I149 | I149-R151 PolarHBondContact O-N 3.33Š| ||
| 152 | V | 67.2 | Low | 49.5 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | trans | -143 | 107.2 | -178.3 | -165.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 153 | Q | 57.3 | Low | 49.7 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 133.5 | 158.4 | -91.9 | -175.8 | 26.6 | 0 | 0 | 107.4 | K155 | Q153-K155 PolarHBondContact O-N 3.04Š| ||
| 154 | P | 64.5 | Low | 49.7 | Very low | 120 Ų | 120 | 147.2 Ų | 147.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -58.3 | 112 | 170.7 | 23.3 | -30.3 | 0 | 0 | 0 | 107.8 | S156 | P154-S156 PolarHBondContact O-N 3.27Š| ||
| 155 | K | 49.7 | Very low | 49.9 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -63.1 | 107.6 | 174.8 | -154.8 | 165.3 | -173.2 | 173 | 0 | 105.8 | Q153 E157 | Q153-K155 PolarHBondContact O-N 3.04Å; K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 PolarHBondContact O-N 3.3Å | ||
| 156 | S | 53.7 | Low | 49.7 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -65.6 | 94.9 | 169.1 | 45 | 0 | 0 | 0 | 0 | 107 | P154 L158 | P154-S156 PolarHBondContact O-N 3.27Å; S156-L158 PolarHBondContact O-N 2.85Å | ||
| 157 | E | 43.7 | Very low | 49.3 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -68.2 | 76.8 | 160.5 | -66.9 | -155.7 | 121.8 | 0 | 0 | 107.5 | K155 K159 | K155-E157 VanDerWaalsContact C-N 3.26Å; K155-E157 PolarHBondContact O-N 3.3Å; E157-K159 PolarHBondContact O-N 3.1Å | ||
| 158 | L | 48 | Very low | 49.3 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 80 | 161.5 | -89.6 | 147.4 | 0 | 0 | 0 | 106.9 | S156 | S156-L158 PolarHBondContact O-N 2.85Š| ||
| 159 | K | 42.5 | Very low | 49.3 | Very low | 181 Ų | 181 | 150.7 Ų | 150.7 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | -47.1 | 129 | 157.3 | -139.2 | 172.4 | -177.3 | 175 | 0 | 106.2 | E157 G161 | E157-K159 PolarHBondContact O-N 3.1Å; K159-G161 PolarHBondContact O-N 2.96Å | ||
| 160 | P | 44.2 | Very low | 49.2 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -66.9 | 88.7 | 175.5 | 26.4 | -30.2 | 0 | 0 | 0 | 107.3 | E162 | P160-E162 VanDerWaalsContact C-N 3.28Å; P160-E162 PolarHBondContact O-N 2.83Å | ||
| 161 | G | 39.3 | Very low | 49.1 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -70.9 | 90.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | K159 L163 | K159-G161 PolarHBondContact O-N 2.96Å; G161-L163 PolarHBondContact O-N 3.45Å | ||
| 162 | E | 41 | Very low | 49.1 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | 2 | 107.9 | 147.1 | -148.5 | 166.4 | 119.5 | 0 | 0 | 112.4 | P160 K164 | P160-E162 VanDerWaalsContact C-N 3.28Å; P160-E162 PolarHBondContact O-N 2.83Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.87Å | ||
| 163 | L | 45.5 | Very low | 49 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 90% | 0.901 | 72% | 0.719 | S | S | * | * | trans | -44.9 | 94.8 | 172.4 | -73.4 | 152.6 | 0 | 0 | 0 | 109.1 | G161 P165 | G161-L163 PolarHBondContact O-N 3.45Å; L163-P165 WeakPolarHBondContact O-CD 3.25Å | ||
| 164 | K | 39.2 | Very low | 50.1 | Low | 191 Ų | 191 | 130.1 Ų | 130.1 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | trans | -68.9 | 119.5 | 174.6 | -165.1 | 153.7 | -175.5 | 167.2 | 0 | 106.4 | E162 L166 | E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.87Å; K164-L166 PolarHBondContact O-N 3.09Å; K164-L166 VanDerWaalsContact O-N 3.13Å | ||
| 165 | P | 43.4 | Very low | 50.8 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 67% | 0.667 | S | S | * | * | trans | -61.6 | 121.3 | -178.4 | 23.3 | -30.8 | 0 | 0 | 0 | 108.8 | L163 S167 | L163-P165 WeakPolarHBondContact O-CD 3.25Å; P165-S167 PolarHBondContact O-N 3.39Å; P165-S167 VanDerWaalsContact O-N 3.13Å | ||
| 166 | L | 43.3 | Very low | 52.3 | Low | 135 Ų | 135 | 122.2 Ų | 122.2 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | trans | 22.9 | 82 | 151 | -164.6 | 73.8 | 0 | 0 | 0 | 113 | K164 D170 | K164-L166 PolarHBondContact O-N 3.09Å; K164-L166 VanDerWaalsContact O-N 3.13Å; L166-D170 HydrophobicContact CD1-CB 4.43Å | ||
| 167 | S | 40.7 | Very low | 53.9 | Low | 74 Ų | 74 | 123.5 Ų | 123.5 | 52% | 0.517 | 64% | 0.641 | S | S | . | * | trans | -62.9 | 143.6 | 176.5 | 71.6 | 0 | 0 | 0 | 0 | 109.2 | P165 E169 D170 | P165-S167 PolarHBondContact O-N 3.39Å; P165-S167 VanDerWaalsContact O-N 3.13Å; S167-E169 WeakPolarHBondContact CB-OE2 3.4Å; S167-E169 PolarHBondContact O-N 2.96Å; S167-E169 PolarHBondContact OG-OE2 3.36Å; S167-D170 PolarHBondContact O-N 2.83Å | ||
| 168 | K | 49.5 | Very low | 56 | Low | 195 Ų | 195 | 115 Ų | 115 | 85% | 0.848 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 6 | -169.9 | -72.2 | 168.3 | 172.5 | 170.6 | 0 | 115.6 | ||
| 169 | E | 52 | Low | 57.9 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 66% | 0.659 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -29.5 | 177.8 | -74.2 | 135.1 | 114.2 | 0 | 0 | 112.9 | S167 L171 G172 L173 | S167-E169 WeakPolarHBondContact CB-OE2 3.4Å; S167-E169 PolarHBondContact O-N 2.96Å; S167-E169 PolarHBondContact OG-OE2 3.36Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.46Å; E169-G172 PolarHBondContact O-N 2.83Å; E169-L173 VanDerWaalsContact O-CD1 3.26Å; E169-L173 WeakPolarHBondContact O-CD1 3.43Å |
| 170 | D | 52.1 | Low | 59.9 | Low | 84 Ų | 84 | 110.2 Ų | 110.2 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.5 | -29 | -179.8 | -134 | -91.5 | 0 | 0 | 0 | 112.8 | L166 S167 G172 L173 | L166-D170 HydrophobicContact CD1-CB 4.43Å; S167-D170 PolarHBondContact O-N 2.83Å; D170-G172 PolarHBondContact O-N 3.35Å; D170-L173 PolarHBondContact O-N 2.88Å |
| 171 | L | 54.3 | Low | 62 | Low | 121 Ų | 121 | 106.5 Ų | 106.5 | 63% | 0.634 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.5 | -16.8 | 176.7 | -105.3 | 73.7 | 0 | 0 | 0 | 113.4 | E169 | E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.46Å |
| 172 | G | 60 | Low | 64.2 | Low | 41 Ų | 41 | 105.2 Ų | 105.2 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -90.3 | -21.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E169 D170 H174 A175 | E169-G172 PolarHBondContact O-N 2.83Å; D170-G172 PolarHBondContact O-N 3.35Å; G172-H174 VanDerWaalsContact C-N 3.27Å; G172-H174 PolarHBondContact O-N 3.2Å; G172-A175 WeakPolarHBondContact O-CB 3.3Å; G172-A175 PolarHBondContact O-N 3.01Å |
| 173 | L | 66.3 | Low | 66.4 | Low | 76 Ų | 76 | 101.1 Ų | 101.1 | 40% | 0.398 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -28 | -171.1 | -97.1 | 74.6 | 0 | 0 | 0 | 112.9 | E169 D170 C186 E188 | E169-L173 VanDerWaalsContact O-CD1 3.26Å; E169-L173 WeakPolarHBondContact O-CD1 3.43Å; D170-L173 PolarHBondContact O-N 2.88Å; L173-C186 WeakPolarHBondContact O-CB 3.44Å; L173-E188 WeakPolarHBondContact CD2-OE1 3.27Å |
| 174 | H | 79.4 | Confident | 68.6 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 11 | -178.3 | -63.9 | -70.5 | 0 | 0 | 0 | 115.2 | G172 Y176 C184 C186 E188 C189 | G172-H174 VanDerWaalsContact C-N 3.27Å; G172-H174 PolarHBondContact O-N 3.2Å; H174-Y176 PolarHBondContact O-N 3.48Å; H174-C184 WeakPolarHBondContact CA-SG 3.4Å; H174-C184 PolarHBondContact O-SG 3.37Å; H174-C184 VanDerWaalsContact O-SG 3.34Å; H174-C186 PolarHBondContact CE1-SG 3.4Å; H174-C186 PolarHBondContact ND1-SG 2.84Å; H174-E188 IonicContact CE1-OE2 3Å; H174-E188 IonicContact NE2-OE2 2.7Å; H174-C189 PolarHBondContact CE1-SG 3.4Å; H174-C189 PolarHBondContact ND1-SG 3.04Å |
| 175 | A | 78.7 | Confident | 70.9 | Confident | 18 Ų | 18 | 87.6 Ų | 87.6 | 15% | 0.149 | 46% | 0.459 | C | S | . | . | trans | -68.5 | -30.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G172 R177 C301 | G172-A175 WeakPolarHBondContact O-CB 3.3Å; G172-A175 PolarHBondContact O-N 3.01Å; A175-R177 PolarHBondContact O-N 3.15Å; A175-C301 PolarHBondContact O-N 3.06Å | ||
| 176 | Y | 81.7 | Confident | 72.9 | Confident | 128 Ų | 128 | 82.6 Ų | 82.6 | 50% | 0.502 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 114.3 | -177.4 | -59 | -79.1 | 0 | 0 | 0 | 111.2 | H174 C184 K185 C300 | H174-Y176 PolarHBondContact O-N 3.48Å; Y176-C184 CarbonylContact O-C 3.57Å; Y176-C184 WeakPolarHBondContact O-CA 3.2Å; Y176-C184 PolarHBondContact O-SG 3.34Å; Y176-C184 VanDerWaalsContact O-SG 3.37Å; Y176-K185 PolarHBondContact O-N 3.06Å; Y176-C300 HydrophobicContact CD1-CB 4.44Å; Y176-C300 HydrophobicContact CE1-CB 4.39Å |
| 177 | R | 86.5 | Confident | 74.9 | Confident | 124 Ų | 124 | 85.6 Ų | 85.6 | 47% | 0.468 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.8 | 176 | -60.2 | -168.2 | -175.3 | -163.4 | -0.4 | 111.1 | A175 G182 K183 T298 V299 C301 | A175-R177 PolarHBondContact O-N 3.15Å; R177-G182 WeakPolarHBondContact CD-O 3.06Å; R177-K183 WeakPolarHBondContact CA-O 3.15Å; R177-T298 CarbonylContact O-C 3.53Å; R177-T298 VanDerWaalsContact O-CA 3.3Å; R177-T298 WeakPolarHBondContact O-CA 3.39Å; R177-V299 HydrophobicContact CB-CG2 4.26Å; R177-V299 PolarHBondContact N-O 3.24Å; R177-V299 WeakPolarHBondContact O-CG2 3.28Å; R177-V299 PolarHBondContact O-N 3.35Å; R177-C301 WeakPolarHBondContact CD-SG 3.34Å |
| 178 | C | 88.5 | Confident | 77 | Confident | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 131 | 173.7 | 176 | 0 | 0 | 0 | 0 | 110.3 | D180 C181 G182 K183 K185 C291 S296 | C178-D180 PolarHBondContact SG-N 3.08Å; C178-C181 VanDerWaalsContact CB-SG 3.51Å; C178-C181 PolarHBondContact SG-SG 3.3Å; C178-G182 WeakPolarHBondContact O-CA 3.35Å; C178-G182 PolarHBondContact O-N 3.3Å; C178-K183 WeakPolarHBondContact CB-O 3.44Å; C178-K183 PolarHBondContact N-O 3.32Å; C178-K185 HydrophobicContact CB-CG 4.16Å; C178-C291 HydrophobicContact CB-CB 3.81Å; C178-C291 WeakPolarHBondContact CB-SG 3.32Å; C178-C291 PolarHBondContact SG-SG 3.05Å; C178-S296 WeakPolarHBondContact SG-CB 3.33Å; C178-S296 PolarHBondContact SG-OG 2.93Å |
| 179 | E | 87.3 | Confident | 78.8 | Confident | 121 Ų | 121 | 77.6 Ų | 77.6 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -44.6 | 175.6 | -166.5 | 178.2 | 169.1 | 0 | 0 | 111.7 | C181 N297 V299 | E179-C181 PolarHBondContact O-N 3.03Å; E179-N297 PolarHBondContact N-O 3.04Å; E179-N297 WeakPolarHBondContact OE2-CB 3.43Å; E179-V299 HydrophobicContact CB-CG1 4.45Å; E179-V299 HydrophobicContact CG-CG1 4.49Å |
| 180 | D | 86.2 | Confident | 80.4 | Confident | 114 Ų | 114 | 73 Ų | 73 | 61% | 0.61 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -29.9 | -175 | -56 | -24.6 | 0 | 0 | 0 | 114.7 | C178 S296 | C178-D180 PolarHBondContact SG-N 3.08Å; D180-S296 WeakPolarHBondContact OD2-CA 3.49Å; D180-S296 WeakPolarHBondContact OD2-CB 3.31Å |
| 181 | C | 88.5 | Confident | 82 | Confident | 51 Ų | 51 | 76 Ų | 76 | 35% | 0.345 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -1.5 | -171.7 | 73.2 | 0 | 0 | 0 | 0 | 114.5 | C178 E179 K183 | C178-C181 VanDerWaalsContact CB-SG 3.51Å; C178-C181 PolarHBondContact SG-SG 3.3Å; E179-C181 PolarHBondContact O-N 3.03Å; C181-K183 PolarHBondContact O-N 2.08Å |
| 182 | G | 84.2 | Confident | 83.4 | Confident | 42 Ų | 42 | 73.4 Ų | 73.4 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | trans | 65.5 | -4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R177 C178 | R177-G182 WeakPolarHBondContact CD-O 3.06Å; C178-G182 WeakPolarHBondContact O-CA 3.35Å; C178-G182 PolarHBondContact O-N 3.3Å | ||
| 183 | K | 88.4 | Confident | 84.7 | Confident | 99 Ų | 99 | 74.5 Ų | 74.5 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | trans | -79.5 | 149.2 | -177 | -61.1 | -173.9 | 178.8 | -163.7 | 0 | 111.9 | R177 C178 C181 G290 C291 | R177-K183 WeakPolarHBondContact CA-O 3.15Å; C178-K183 WeakPolarHBondContact CB-O 3.44Å; C178-K183 PolarHBondContact N-O 3.32Å; C181-K183 PolarHBondContact O-N 2.08Å; K183-G290 WeakPolarHBondContact CD-O 3.46Å; K183-C291 HydrophobicContact CB-CB 4.27Å | ||
| 184 | C | 90 | Very high | 85.6 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -64.9 | 138.3 | 178.4 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | H174 Y176 C186 C189 G290 C291 | H174-C184 WeakPolarHBondContact CA-SG 3.4Å; H174-C184 PolarHBondContact O-SG 3.37Å; H174-C184 VanDerWaalsContact O-SG 3.34Å; Y176-C184 CarbonylContact O-C 3.57Å; Y176-C184 WeakPolarHBondContact O-CA 3.2Å; Y176-C184 PolarHBondContact O-SG 3.34Å; Y176-C184 VanDerWaalsContact O-SG 3.37Å; C184-C186 VanDerWaalsContact SG-CB 3.51Å; C184-C186 PolarHBondContact SG-N 3.42Å; C184-C186 VanDerWaalsContact SG-N 3.42Å; C184-C189 HydrophobicContact CB-CB 4.15Å; C184-C189 VanDerWaalsContact CB-SG 3.5Å; C184-C189 PolarHBondContact SG-SG 3.35Å; C184-G290 CarbonylContact O-C 3.51Å; C184-G290 VanDerWaalsContact O-CA 3.22Å; C184-G290 WeakPolarHBondContact O-CA 3.44Å; C184-C291 PolarHBondContact O-N 3.2Å |
| 185 | K | 87.2 | Confident | 85.9 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | trans | -99.5 | 11 | 176 | -67.6 | -134.2 | -164.7 | 177.1 | 0 | 113.3 | Y176 C178 T190 C291 S296 T298 | Y176-K185 PolarHBondContact O-N 3.06Å; C178-K185 HydrophobicContact CB-CG 4.16Å; K185-T190 PolarHBondContact O-OG1 2.85Å; K185-C291 HydrophobicContact CD-CB 4.22Å; K185-C291 HydrophobicContact CG-CB 3.74Å; K185-S296 WeakPolarHBondContact CE-OG 3.33Å; K185-S296 PolarHBondContact NZ-O 2.8Å; K185-S296 PolarHBondContact NZ-OG 3.42Å; K185-T298 HydrophobicContact CB-CG2 4.04Å; K185-T298 HydrophobicContact CD-CG2 3.36Å; K185-T298 HydrophobicContact CG-CG2 3.75Å | ||
| 186 | C | 86.8 | Confident | 86.4 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | trans | -57.4 | 152.8 | 177.4 | 89.2 | 0 | 0 | 0 | 0 | 111.3 | L173 H174 C184 E188 C189 T190 | L173-C186 WeakPolarHBondContact O-CB 3.44Å; H174-C186 PolarHBondContact CE1-SG 3.4Å; H174-C186 PolarHBondContact ND1-SG 2.84Å; C184-C186 VanDerWaalsContact SG-CB 3.51Å; C184-C186 PolarHBondContact SG-N 3.42Å; C184-C186 VanDerWaalsContact SG-N 3.42Å; C186-E188 VanDerWaalsContact C-N 3.25Å; C186-E188 PolarHBondContact O-N 3.08Å; C186-C189 HydrophobicContact CB-CB 4.24Å; C186-C189 WeakPolarHBondContact CB-SG 3.3Å; C186-C189 WeakPolarHBondContact O-CB 3.47Å; C186-C189 PolarHBondContact O-N 3.41Å; C186-C189 WeakPolarHBondContact SG-CB 3.34Å; C186-C189 PolarHBondContact SG-N 3.06Å; C186-C189 CovalentContact SG-SG 2.08Å; C186-C189 PolarHBondContact SG-SG 3.48Å; C186-T190 VanDerWaalsContact O-CB 3.27Å; C186-T190 WeakPolarHBondContact O-CB 3.4Å; C186-T190 PolarHBondContact O-N 2.82Å; C186-T190 PolarHBondContact O-OG1 3.47Å | ||
| 187 | K | 84.7 | Confident | 86.7 | Confident | 198 Ų | 198 | 73.3 Ų | 73.3 | 86% | 0.861 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.8 | -41 | 179.5 | -71.7 | -174.4 | 178.9 | -178.8 | 0 | 111.4 | C189 T190 Y191 | K187-C189 PolarHBondContact O-N 3.11Å; K187-T190 CarbonylContact O-C 3.54Å; K187-T190 PolarHBondContact O-N 3.48Å; K187-Y191 WeakPolarHBondContact O-CB 3.17Å; K187-Y191 PolarHBondContact O-N 3.4Å |
| 188 | E | 85.6 | Confident | 86.8 | Confident | 93 Ų | 93 | 72.7 Ų | 72.7 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | -179.3 | -57.1 | 175.4 | 176.1 | 0 | 0 | 113.8 | L173 H174 C186 R193 | L173-E188 WeakPolarHBondContact CD2-OE1 3.27Å; H174-E188 IonicContact CE1-OE2 3Å; H174-E188 IonicContact NE2-OE2 2.7Å; C186-E188 VanDerWaalsContact C-N 3.25Å; C186-E188 PolarHBondContact O-N 3.08Å; E188-R193 PolarHBondContact O-NH1 3.34Å; E188-R193 PolarHBondContact O-NH2 2.9Å |
| 189 | C | 86.2 | Confident | 86.8 | Confident | 7 Ų | 7 | 79.5 Ų | 79.5 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -75 | -39.5 | 179 | -49 | 0 | 0 | 0 | 0 | 110.4 | H174 C184 C186 K187 Y191 R288 G290 | H174-C189 PolarHBondContact CE1-SG 3.4Å; H174-C189 PolarHBondContact ND1-SG 3.04Å; C184-C189 HydrophobicContact CB-CB 4.15Å; C184-C189 VanDerWaalsContact CB-SG 3.5Å; C184-C189 PolarHBondContact SG-SG 3.35Å; C186-C189 HydrophobicContact CB-CB 4.24Å; C186-C189 WeakPolarHBondContact CB-SG 3.3Å; C186-C189 WeakPolarHBondContact O-CB 3.47Å; C186-C189 PolarHBondContact O-N 3.41Å; C186-C189 WeakPolarHBondContact SG-CB 3.34Å; C186-C189 PolarHBondContact SG-N 3.06Å; C186-C189 CovalentContact SG-SG 2.08Å; C186-C189 PolarHBondContact SG-SG 3.48Å; K187-C189 PolarHBondContact O-N 3.11Å; C189-Y191 VanDerWaalsContact C-N 3.34Å; C189-R288 WeakPolarHBondContact O-CG 3.49Å; C189-G290 WeakPolarHBondContact O-CA 3.22Å; C189-G290 PolarHBondContact O-N 3.36Å |
| 190 | T | 86.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 27% | 0.27 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -89.3 | -4.7 | -176.5 | -45.8 | 0 | 0 | 0 | 0 | 110.7 | K185 C186 K187 R288 | K185-T190 PolarHBondContact O-OG1 2.85Å; C186-T190 VanDerWaalsContact O-CB 3.27Å; C186-T190 WeakPolarHBondContact O-CB 3.4Å; C186-T190 PolarHBondContact O-N 2.82Å; C186-T190 PolarHBondContact O-OG1 3.47Å; K187-T190 CarbonylContact O-C 3.54Å; K187-T190 PolarHBondContact O-N 3.48Å; T190-R288 VanDerWaalsContact CG2-NH2 3.26Å; T190-R288 PolarHBondContact O-NE 3.03Å; T190-R288 PolarHBondContact O-NH2 2.84Å |
| 191 | Y | 84.7 | Confident | 86.9 | Confident | 148 Ų | 148 | 75.6 Ų | 75.6 | 58% | 0.58 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70.1 | 131 | 177.8 | -168.3 | -104.2 | 0 | 0 | 0 | 110.7 | K187 C189 R193 | K187-Y191 WeakPolarHBondContact O-CB 3.17Å; K187-Y191 PolarHBondContact O-N 3.4Å; C189-Y191 VanDerWaalsContact C-N 3.34Å; Y191-R193 PolarHBondContact O-N 2.79Å |
| 192 | P | 84.4 | Confident | 86.7 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 43% | 0.429 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 132.2 | 175 | -23.7 | 34 | 0 | 0 | 0 | 111.5 | P194 D284 | P192-P194 WeakPolarHBondContact O-CD 3.37Å; P192-D284 WeakPolarHBondContact CA-OD1 3.44Å |
| 193 | R | 86.7 | Confident | 86.7 | Confident | 64 Ų | 64 | 84.8 Ų | 84.8 | 24% | 0.242 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 118.9 | 179.7 | -60.8 | -58.8 | -175 | -139.9 | -0.8 | 110 | E188 Y191 Y283 D284 N287 R288 | E188-R193 PolarHBondContact O-NH1 3.34Å; E188-R193 PolarHBondContact O-NH2 2.9Å; Y191-R193 PolarHBondContact O-N 2.79Å; R193-Y283 HydrophobicContact CB-CD1 4.08Å; R193-Y283 HydrophobicContact CB-CE1 3.89Å; R193-D284 PolarHBondContact N-OD1 3.5Å; R193-N287 HydrophobicContact CG-CB 4.49Å; R193-R288 HydrophobicContact CG-CB 4.37Å |
| 194 | P | 85 | Confident | 86.4 | Confident | 78 Ų | 78 | 87.5 Ų | 87.5 | 51% | 0.506 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 158 | 171 | 30.7 | -33.9 | 0 | 0 | 0 | 109.8 | P192 Y283 | P192-P194 WeakPolarHBondContact O-CD 3.37Å; P194-Y283 VanDerWaalsContact O-CE1 3.22Å; P194-Y283 WeakPolarHBondContact O-CE1 3.38Å |
| 195 | L | 87.2 | Confident | 86.2 | Confident | 42 Ų | 42 | 89.4 Ų | 89.4 | 22% | 0.22 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -63 | 144 | 171.2 | -71.7 | 167 | 0 | 0 | 0 | 109.3 | S197 A209 L276 Q280 Y283 | L195-S197 PolarHBondContact O-N 3.2Å; L195-A209 HydrophobicContact CD1-CB 4.15Å; L195-L276 HydrophobicContact CD1-CD1 3.5Å; L195-L276 HydrophobicContact CD1-CG 4.13Å; L195-Q280 HydrophobicContact CD1-CB 3.95Å; L195-Q280 HydrophobicContact CG-CB 4Å; L195-Q280 HydrophobicContact CG-CG 4.27Å; L195-Y283 HydrophobicContact CD2-CD1 4.46Å; L195-Y283 HydrophobicContact CD2-CG 4.08Å |
| 196 | P | 87.6 | Confident | 86.2 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 59% | 0.591 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 137.5 | 176.4 | 26.3 | -33.8 | 0 | 0 | 0 | 110.1 | ||
| 197 | S | 89.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 48% | 0.476 | 47% | 0.472 | S | S | . | . | trans | -129 | 137.7 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 108.5 | L195 C207 | L195-S197 PolarHBondContact O-N 3.2Å; S197-C207 VanDerWaalsContact CA-O 3.31Å; S197-C207 WeakPolarHBondContact CA-O 3.18Å | ||
| 198 | D | 87.9 | Confident | 86.6 | Confident | 112 Ų | 112 | 83 Ų | 83 | 60% | 0.599 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.6 | -177.7 | -165.6 | 15.4 | 0 | 0 | 0 | 111 | C207 | D198-C207 PolarHBondContact N-O 2.95Å; D198-C207 WeakPolarHBondContact O-CA 3.37Å; D198-C207 WeakPolarHBondContact O-CB 3.32Å; D198-C207 PolarHBondContact O-N 2.82Å |
| 199 | W | 89.2 | Confident | 86.9 | Confident | 143 Ų | 143 | 80.4 Ų | 80.4 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.3 | 176.4 | -74.1 | 91.7 | 0 | 0 | 0 | 109.4 | K203 C205 L206 | W199-K203 HydrophobicContact CB-CB 4.39Å; W199-K203 HydrophobicContact CB-CG 4.49Å; W199-C205 CarbonylContact C-O 3.53Å; W199-C205 WeakPolarHBondContact CA-O 3.45Å; W199-L206 HydrophobicContact CD2-CB 4.27Å; W199-L206 HydrophobicContact CD2-CD1 4.03Å; W199-L206 HydrophobicContact CE3-CB 4.09Å; W199-L206 HydrophobicContact CG-CD1 4.23Å; W199-L206 HydrophobicContact CH2-CB 4.14Å; W199-L206 HydrophobicContact CZ2-CB 4.29Å; W199-L206 HydrophobicContact CZ2-CD1 4.17Å; W199-L206 HydrophobicContact CZ3-CB 4.03Å |
| 200 | I | 88 | Confident | 87.1 | Confident | 77 Ų | 77 | 83 Ų | 83 | 40% | 0.395 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 169.2 | 177.5 | 65.1 | 172.9 | 0 | 0 | 0 | 110.6 | Q204 C205 C207 | I200-Q204 PolarHBondContact O-N 2.97Å; I200-C205 HydrophobicContact CD1-CB 4.46Å; I200-C205 HydrophobicContact CG1-CB 3.73Å; I200-C205 WeakPolarHBondContact CG1-O 3.38Å; I200-C205 PolarHBondContact N-O 2.94Å; I200-C205 PolarHBondContact O-N 2.96Å; I200-C207 HydrophobicContact CD1-CB 3.98Å; I200-C207 HydrophobicContact CG1-CB 4.11Å; I200-C207 HydrophobicContact CG2-CB 4.03Å |
| 201 | C | 86.7 | Confident | 87.3 | Confident | 76 Ų | 76 | 83.1 Ų | 83.1 | 51% | 0.514 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 62.9 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | K203 Q204 C205 | C201-K203 PolarHBondContact O-N 3.4Å; C201-K203 VanDerWaalsContact O-N 3.11Å; C201-Q204 VanDerWaalsContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CG 3.41Å; C201-Q204 PolarHBondContact O-N 2.93Å; C201-C205 HydrophobicContact CB-CB 4.28Å |
| 202 | D | 84.2 | Confident | 87.6 | Confident | 160 Ų | 160 | 80.4 Ų | 80.4 | 86% | 0.856 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.5 | 179.2 | -62.7 | -48.4 | 0 | 0 | 0 | 113.9 | Q204 | D202-Q204 VanDerWaalsContact C-N 3.31Å; D202-Q204 PolarHBondContact O-N 2.83Å |
| 203 | K | 83.7 | Confident | 88 | Confident | 126 Ų | 126 | 78.5 Ų | 78.5 | 55% | 0.548 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 23.1 | -177.2 | -47.5 | -178.7 | 178.9 | -168.2 | 0 | 115.5 | W199 C201 | W199-K203 HydrophobicContact CB-CB 4.39Å; W199-K203 HydrophobicContact CB-CG 4.49Å; C201-K203 PolarHBondContact O-N 3.4Å; C201-K203 VanDerWaalsContact O-N 3.11Å |
| 204 | Q | 83.9 | Confident | 88.2 | Confident | 157 Ų | 157 | 76 Ų | 76 | 73% | 0.734 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -27.3 | 176.8 | -62.8 | -179.5 | -20.5 | 0 | 0 | 112.8 | I200 C201 D202 | I200-Q204 PolarHBondContact O-N 2.97Å; C201-Q204 VanDerWaalsContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CB 3.25Å; C201-Q204 WeakPolarHBondContact O-CG 3.41Å; C201-Q204 PolarHBondContact O-N 2.93Å; D202-Q204 VanDerWaalsContact C-N 3.31Å; D202-Q204 PolarHBondContact O-N 2.83Å |
| 205 | C | 84.3 | Confident | 88.5 | Confident | 58 Ų | 58 | 80.1 Ų | 80.1 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.4 | -172.8 | -66.3 | 0 | 0 | 0 | 0 | 110.8 | W199 I200 C201 C207 | W199-C205 CarbonylContact C-O 3.53Å; W199-C205 WeakPolarHBondContact CA-O 3.45Å; I200-C205 HydrophobicContact CD1-CB 4.46Å; I200-C205 HydrophobicContact CG1-CB 3.73Å; I200-C205 WeakPolarHBondContact CG1-O 3.38Å; I200-C205 PolarHBondContact N-O 2.94Å; I200-C205 PolarHBondContact O-N 2.96Å; C201-C205 HydrophobicContact CB-CB 4.28Å; C205-C207 PolarHBondContact O-N 3.25Å |
| 206 | L | 88.6 | Confident | 88.7 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 108.9 | 171.3 | -178.8 | 68.8 | 0 | 0 | 0 | 109.9 | W199 S208 N211 | W199-L206 HydrophobicContact CD2-CB 4.27Å; W199-L206 HydrophobicContact CD2-CD1 4.03Å; W199-L206 HydrophobicContact CE3-CB 4.09Å; W199-L206 HydrophobicContact CG-CD1 4.23Å; W199-L206 HydrophobicContact CH2-CB 4.14Å; W199-L206 HydrophobicContact CZ2-CB 4.29Å; W199-L206 HydrophobicContact CZ2-CD1 4.17Å; W199-L206 HydrophobicContact CZ3-CB 4.03Å; L206-S208 PolarHBondContact O-N 2.95Å; L206-N211 PolarHBondContact O-ND2 3.06Å |
| 207 | C | 88.4 | Confident | 88.9 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 92.1 | 169.8 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | S197 D198 I200 C205 | S197-C207 VanDerWaalsContact CA-O 3.31Å; S197-C207 WeakPolarHBondContact CA-O 3.18Å; D198-C207 PolarHBondContact N-O 2.95Å; D198-C207 WeakPolarHBondContact O-CA 3.37Å; D198-C207 WeakPolarHBondContact O-CB 3.32Å; D198-C207 PolarHBondContact O-N 2.82Å; I200-C207 HydrophobicContact CD1-CB 3.98Å; I200-C207 HydrophobicContact CG1-CB 4.11Å; I200-C207 HydrophobicContact CG2-CB 4.03Å; C205-C207 PolarHBondContact O-N 3.25Å |
| 208 | S | 90.9 | Very high | 89.1 | Confident | 19 Ų | 19 | 74.9 Ų | 74.9 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | trans | -113.4 | 149.5 | 168 | 76.4 | 0 | 0 | 0 | 0 | 109.2 | L206 Q210 N211 V212 | L206-S208 PolarHBondContact O-N 2.95Å; S208-Q210 PolarHBondContact O-N 3.06Å; S208-Q210 VanDerWaalsContact O-N 3.16Å; S208-N211 PolarHBondContact O-N 3.13Å; S208-N211 WeakPolarHBondContact OG-CB 3.33Å; S208-N211 PolarHBondContact OG-N 3.37Å; S208-N211 PolarHBondContact OG-OD1 2.79Å; S208-V212 PolarHBondContact O-N 3.31Å | ||
| 209 | A | 91.4 | Very high | 89.3 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.4 | -27.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L195 I213 L276 | L195-A209 HydrophobicContact CD1-CB 4.15Å; A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 3.33Å; A209-L276 HydrophobicContact CB-CD1 3.37Å |
| 210 | Q | 90.6 | Very high | 89.3 | Confident | 62 Ų | 62 | 65.1 Ų | 65.1 | 29% | 0.29 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 172.2 | -172.4 | 61.1 | 58.5 | 0 | 0 | 111.7 | S208 V212 I213 D214 L276 | S208-Q210 PolarHBondContact O-N 3.06Å; S208-Q210 VanDerWaalsContact O-N 3.16Å; Q210-V212 PolarHBondContact O-N 2.73Å; Q210-I213 PolarHBondContact O-N 2.96Å; Q210-D214 PolarHBondContact NE2-OD1 3.48Å; Q210-D214 PolarHBondContact O-N 2.87Å; Q210-L276 HydrophobicContact CB-CD2 4.48Å |
| 211 | N | 89.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.7 | -72.9 | 0.9 | 0 | 0 | 0 | 111.3 | L206 S208 I213 D214 Y215 | L206-N211 PolarHBondContact O-ND2 3.06Å; S208-N211 PolarHBondContact O-N 3.13Å; S208-N211 WeakPolarHBondContact OG-CB 3.33Å; S208-N211 PolarHBondContact OG-N 3.37Å; S208-N211 PolarHBondContact OG-OD1 2.79Å; N211-I213 VanDerWaalsContact C-N 3.25Å; N211-I213 PolarHBondContact O-N 2.74Å; N211-D214 PolarHBondContact O-N 2.66Å; N211-D214 VanDerWaalsContact O-N 3.15Å; N211-Y215 HydrophobicContact CB-CD2 4.25Å; N211-Y215 HydrophobicContact CB-CE2 4.12Å; N211-Y215 WeakPolarHBondContact O-CD2 3.4Å; N211-Y215 PolarHBondContact O-N 2.61Å |
| 212 | V | 91.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 60.7 Ų | 60.7 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.9 | -42.2 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | S208 Q210 G216 | S208-V212 PolarHBondContact O-N 3.31Å; Q210-V212 PolarHBondContact O-N 2.73Å; V212-G216 WeakPolarHBondContact O-CA 2.88Å; V212-G216 PolarHBondContact O-N 2.83Å |
| 213 | I | 92.9 | Very high | 89.9 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 176.3 | -69.7 | 170.6 | 0 | 0 | 0 | 110.8 | A209 Q210 N211 Y215 G216 T217 Y269 A272 L276 | A209-I213 WeakPolarHBondContact O-CG1 3.31Å; A209-I213 PolarHBondContact O-N 3.33Å; Q210-I213 PolarHBondContact O-N 2.96Å; N211-I213 VanDerWaalsContact C-N 3.25Å; N211-I213 PolarHBondContact O-N 2.74Å; I213-Y215 VanDerWaalsContact C-N 3.33Å; I213-Y215 PolarHBondContact O-N 2.81Å; I213-G216 PolarHBondContact O-N 3.04Å; I213-T217 HydrophobicContact CG2-CG2 4.13Å; I213-T217 WeakPolarHBondContact O-CB 2.99Å; I213-T217 WeakPolarHBondContact O-CG2 3.49Å; I213-T217 PolarHBondContact O-N 3.32Å; I213-T217 PolarHBondContact O-OG1 2.89Å; I213-Y269 HydrophobicContact CG2-CD2 3.65Å; I213-Y269 HydrophobicContact CG2-CE2 3.86Å; I213-A272 HydrophobicContact CD1-CB 4.25Å; I213-A272 HydrophobicContact CG1-CB 4.2Å; I213-A272 HydrophobicContact CG2-CB 3.95Å; I213-L276 HydrophobicContact CD1-CB 3.61Å; I213-L276 HydrophobicContact CD1-CD1 3.88Å; I213-L276 HydrophobicContact CD1-CD2 4.06Å; I213-L276 HydrophobicContact CD1-CG 4.05Å |
| 214 | D | 91.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | -177.5 | -76.8 | 8.7 | 0 | 0 | 0 | 112.1 | Q210 N211 C218 V219 C220 K223 | Q210-D214 PolarHBondContact NE2-OD1 3.48Å; Q210-D214 PolarHBondContact O-N 2.87Å; N211-D214 PolarHBondContact O-N 2.66Å; N211-D214 VanDerWaalsContact O-N 3.15Å; D214-C218 PolarHBondContact O-N 3.38Å; D214-V219 PolarHBondContact O-N 3.45Å; D214-C220 PolarHBondContact O-N 3.3Å; D214-K223 IonicContact OD2-NZ 3.82Å; D214-K223 PolarHBondContact OD2-NZ 2.79Å |
| 215 | Y | 91.1 | Very high | 90.3 | Very high | 165 Ų | 165 | 47 Ų | 47 | 65% | 0.647 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -74.1 | -42.1 | 174.8 | -68.8 | -64.6 | 0 | 0 | 0 | 112.2 | N211 I213 T217 C218 C220 | N211-Y215 HydrophobicContact CB-CD2 4.25Å; N211-Y215 HydrophobicContact CB-CE2 4.12Å; N211-Y215 WeakPolarHBondContact O-CD2 3.4Å; N211-Y215 PolarHBondContact O-N 2.61Å; I213-Y215 VanDerWaalsContact C-N 3.33Å; I213-Y215 PolarHBondContact O-N 2.81Å; Y215-T217 VanDerWaalsContact C-N 3.31Å; Y215-T217 PolarHBondContact O-N 3.41Å; Y215-C218 PolarHBondContact O-N 3Å; Y215-C220 HydrophobicContact CD1-CB 4.15Å; Y215-C220 HydrophobicContact CE1-CB 4.27Å |
| 216 | G | 91.4 | Very high | 90.4 | Very high | 58 Ų | 58 | 45 Ų | 45 | 60% | 0.598 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.1 | -24.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | V212 I213 | V212-G216 WeakPolarHBondContact O-CA 2.88Å; V212-G216 PolarHBondContact O-N 2.83Å; I213-G216 PolarHBondContact O-N 3.04Å |
| 217 | T | 92.9 | Very high | 90.2 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 7.2 | -178.6 | 63 | 0 | 0 | 0 | 0 | 113 | I213 Y215 V219 C265 L266 C268 Y269 A272 | I213-T217 HydrophobicContact CG2-CG2 4.13Å; I213-T217 WeakPolarHBondContact O-CB 2.99Å; I213-T217 WeakPolarHBondContact O-CG2 3.49Å; I213-T217 PolarHBondContact O-N 3.32Å; I213-T217 PolarHBondContact O-OG1 2.89Å; Y215-T217 VanDerWaalsContact C-N 3.31Å; Y215-T217 PolarHBondContact O-N 3.41Å; T217-V219 PolarHBondContact O-N 3.37Å; T217-V219 WeakPolarHBondContact OG1-CG2 3.14Å; T217-C265 WeakPolarHBondContact CB-O 3.32Å; T217-C265 CarbonylContact O-C 3.56Å; T217-L266 WeakPolarHBondContact O-CA 2.96Å; T217-L266 WeakPolarHBondContact O-CD2 3.44Å; T217-L266 PolarHBondContact O-N 3.34Å; T217-C268 HydrophobicContact CG2-CB 4.32Å; T217-Y269 VanDerWaalsContact OG1-CD2 3.31Å; T217-Y269 WeakPolarHBondContact OG1-CD2 3.02Å; T217-A272 HydrophobicContact CG2-CB 4.3Å |
| 218 | C | 92.4 | Very high | 90 | Very high | 26 Ų | 26 | 55 Ų | 55 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 20 | -179.7 | -39.2 | 0 | 0 | 0 | 0 | 114.3 | D214 Y215 C220 C221 L263 C265 | D214-C218 PolarHBondContact O-N 3.38Å; Y215-C218 PolarHBondContact O-N 3Å; C218-C220 PolarHBondContact O-N 3.09Å; C218-C221 VanDerWaalsContact O-CB 3.32Å; C218-C221 WeakPolarHBondContact O-CB 3.12Å; C218-C221 PolarHBondContact O-N 3.34Å; C218-L263 HydrophobicContact CB-CB 4.44Å; C218-L263 HydrophobicContact CB-CD1 4.03Å; C218-L263 HydrophobicContact CB-CD2 4.18Å; C218-L263 HydrophobicContact CB-CG 4.46Å; C218-C265 HydrophobicContact CB-CB 4.25Å; C218-C265 WeakPolarHBondContact CB-SG 3.32Å; C218-C265 WeakPolarHBondContact SG-CB 3.36Å; C218-C265 CovalentContact SG-SG 2.06Å; C218-C265 PolarHBondContact SG-SG 3.44Å |
| 219 | V | 91.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.2 | -27.8 | 174.1 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | D214 T217 C221 V222 K223 P241 L266 Y269 | D214-V219 PolarHBondContact O-N 3.45Å; T217-V219 PolarHBondContact O-N 3.37Å; T217-V219 WeakPolarHBondContact OG1-CG2 3.14Å; V219-C221 PolarHBondContact O-N 3.02Å; V219-V222 WeakPolarHBondContact O-CB 2.93Å; V219-V222 PolarHBondContact O-N 2.84Å; V219-K223 HydrophobicContact CG1-CD 4.49Å; V219-K223 HydrophobicContact CG1-CG 4.28Å; V219-K223 WeakPolarHBondContact O-CG 3.45Å; V219-K223 PolarHBondContact O-N 2.92Å; V219-P241 HydrophobicContact CG1-CG 4.43Å; V219-L266 HydrophobicContact CG2-CD2 3.71Å; V219-Y269 HydrophobicContact CB-CD2 4.43Å; V219-Y269 HydrophobicContact CB-CE2 4.39Å; V219-Y269 HydrophobicContact CG1-CE2 4.46Å; V219-Y269 HydrophobicContact CG2-CD1 3.99Å; V219-Y269 HydrophobicContact CG2-CD2 3.42Å; V219-Y269 VanDerWaalsContact CG2-CD2 3.42Å; V219-Y269 HydrophobicContact CG2-CE1 4.26Å; V219-Y269 HydrophobicContact CG2-CE2 3.71Å; V219-Y269 HydrophobicContact CG2-CG 3.54Å |
| 220 | C | 90.4 | Very high | 88.4 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 31% | 0.311 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -53.2 | -36.2 | 169.7 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | D214 Y215 C218 K223 G224 | D214-C220 PolarHBondContact O-N 3.3Å; Y215-C220 HydrophobicContact CD1-CB 4.15Å; Y215-C220 HydrophobicContact CE1-CB 4.27Å; C218-C220 PolarHBondContact O-N 3.09Å; C220-K223 PolarHBondContact O-N 3.28Å; C220-G224 PolarHBondContact O-N 2.89Å |
| 221 | C | 90.8 | Very high | 87.2 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 176.1 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | C218 V219 G224 L225 L263 | C218-C221 VanDerWaalsContact O-CB 3.32Å; C218-C221 WeakPolarHBondContact O-CB 3.12Å; C218-C221 PolarHBondContact O-N 3.34Å; V219-C221 PolarHBondContact O-N 3.02Å; C221-G224 PolarHBondContact O-N 2.7Å; C221-L225 WeakPolarHBondContact O-CB 3.22Å; C221-L225 PolarHBondContact O-N 3.24Å; C221-L263 HydrophobicContact CB-CD1 3.76Å |
| 222 | V | 90 | Very high | 85.9 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | V219 G224 L225 F226 P241 M256 L266 | V219-V222 WeakPolarHBondContact O-CB 2.93Å; V219-V222 PolarHBondContact O-N 2.84Å; V222-G224 VanDerWaalsContact C-N 3.34Å; V222-G224 PolarHBondContact O-N 3.02Å; V222-L225 PolarHBondContact O-N 3.48Å; V222-F226 HydrophobicContact CG1-CD2 3.65Å; V222-F226 HydrophobicContact CG1-CE2 3.43Å; V222-F226 VanDerWaalsContact CG1-CE2 3.43Å; V222-F226 HydrophobicContact CG1-CZ 4.47Å; V222-F226 VanDerWaalsContact O-CD2 3.32Å; V222-F226 WeakPolarHBondContact O-CD2 3.29Å; V222-F226 PolarHBondContact O-N 2.89Å; V222-P241 HydrophobicContact CG1-CB 3.83Å; V222-M256 HydrophobicContact CG1-CG 3.86Å; V222-M256 HydrophobicContact CG1-SD 4.31Å; V222-L266 HydrophobicContact CG2-CD1 3.77Å; V222-L266 HydrophobicContact CG2-CD2 3.69Å; V222-L266 HydrophobicContact CG2-CG 4.4Å |
| 223 | K | 89.2 | Confident | 84.4 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 173.7 | -66.3 | -175.9 | 168.6 | 175.4 | 0 | 111.1 | D214 V219 C220 F226 Y227 A238 P241 | D214-K223 IonicContact OD2-NZ 3.82Å; D214-K223 PolarHBondContact OD2-NZ 2.79Å; V219-K223 HydrophobicContact CG1-CD 4.49Å; V219-K223 HydrophobicContact CG1-CG 4.28Å; V219-K223 WeakPolarHBondContact O-CG 3.45Å; V219-K223 PolarHBondContact O-N 2.92Å; C220-K223 PolarHBondContact O-N 3.28Å; K223-F226 PolarHBondContact O-N 2.82Å; K223-Y227 VanDerWaalsContact O-CB 3.29Å; K223-Y227 WeakPolarHBondContact O-CB 3.42Å; K223-Y227 PolarHBondContact O-N 3.3Å; K223-A238 WeakPolarHBondContact CG-O 3.24Å; K223-P241 HydrophobicContact CG-CG 4.26Å |
| 224 | G | 88.8 | Confident | 82.6 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C220 C221 V222 Y227 H228 | C220-G224 PolarHBondContact O-N 2.89Å; C221-G224 PolarHBondContact O-N 2.7Å; V222-G224 VanDerWaalsContact C-N 3.34Å; V222-G224 PolarHBondContact O-N 3.02Å; G224-Y227 WeakPolarHBondContact O-CB 3.31Å; G224-Y227 PolarHBondContact O-N 2.87Å; G224-H228 PolarHBondContact O-CD2 2.88Å; G224-H228 PolarHBondContact O-N 3.32Å |
| 225 | L | 87.2 | Confident | 81.2 | Confident | 61 Ų | 61 | 77 Ų | 77 | 32% | 0.319 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 175 | 179.5 | 64.7 | 0 | 0 | 0 | 110.8 | C221 V222 Y227 H228 C229 M259 | C221-L225 WeakPolarHBondContact O-CB 3.22Å; C221-L225 PolarHBondContact O-N 3.24Å; V222-L225 PolarHBondContact O-N 3.48Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 PolarHBondContact O-N 2.79Å; L225-H228 PolarHBondContact O-N 3.4Å; L225-H228 VanDerWaalsContact O-N 3.16Å; L225-C229 WeakPolarHBondContact O-CB 3.38Å; L225-C229 PolarHBondContact O-N 3.2Å; L225-C229 PolarHBondContact O-SG 3.49Å; L225-M259 HydrophobicContact CD2-CE 4.31Å; L225-M259 HydrophobicContact CD2-CG 3.79Å; L225-M259 HydrophobicContact CD2-SD 3.82Å |
| 226 | F | 86.6 | Confident | 80 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 7% | 0.07 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.5 | -31.5 | 176.7 | -73.9 | -47.4 | 0 | 0 | 0 | 112.8 | V222 K223 H228 C229 S230 C237 P241 R252 A255 M256 | V222-F226 HydrophobicContact CG1-CD2 3.65Å; V222-F226 HydrophobicContact CG1-CE2 3.43Å; V222-F226 VanDerWaalsContact CG1-CE2 3.43Å; V222-F226 HydrophobicContact CG1-CZ 4.47Å; V222-F226 VanDerWaalsContact O-CD2 3.32Å; V222-F226 WeakPolarHBondContact O-CD2 3.29Å; V222-F226 PolarHBondContact O-N 2.89Å; K223-F226 PolarHBondContact O-N 2.82Å; F226-H228 VanDerWaalsContact C-N 3.31Å; F226-H228 PolarHBondContact O-N 3.16Å; F226-C229 PolarHBondContact O-N 2.78Å; F226-S230 WeakPolarHBondContact O-CB 2.92Å; F226-S230 PolarHBondContact O-N 2.87Å; F226-C237 WeakPolarHBondContact CD1-SG 3.38Å; F226-C237 WeakPolarHBondContact CG-SG 3.04Å; F226-P241 HydrophobicContact CD2-CB 3.79Å; F226-P241 HydrophobicContact CE2-CB 3.77Å; F226-R252 HydrophobicContact CE1-CB 4.37Å; F226-R252 HydrophobicContact CE1-CG 4.12Å; F226-R252 HydrophobicContact CZ-CB 3.99Å; F226-R252 HydrophobicContact CZ-CG 4.18Å; F226-A255 HydrophobicContact CE1-CB 4.32Å; F226-A255 HydrophobicContact CZ-CB 4.38Å; F226-M256 HydrophobicContact CE2-CG 3.96Å; F226-M256 HydrophobicContact CE2-SD 4.33Å; F226-M256 HydrophobicContact CZ-CG 4.07Å |
| 227 | Y | 84.5 | Confident | 78.8 | Confident | 167 Ų | 167 | 71.3 Ų | 71.3 | 66% | 0.655 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 171.7 | -179.8 | -101.2 | 0 | 0 | 0 | 111.8 | K223 G224 L225 | K223-Y227 VanDerWaalsContact O-CB 3.29Å; K223-Y227 WeakPolarHBondContact O-CB 3.42Å; K223-Y227 PolarHBondContact O-N 3.3Å; G224-Y227 WeakPolarHBondContact O-CB 3.31Å; G224-Y227 PolarHBondContact O-N 2.87Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 PolarHBondContact O-N 2.79Å |
| 228 | H | 84.9 | Confident | 77.8 | Confident | 158 Ų | 158 | 71.8 Ų | 71.8 | 73% | 0.731 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -80.8 | -26.5 | 175.9 | -75.4 | -60.3 | 0 | 0 | 0 | 114.5 | G224 L225 F226 | G224-H228 PolarHBondContact O-CD2 2.88Å; G224-H228 PolarHBondContact O-N 3.32Å; L225-H228 PolarHBondContact O-N 3.4Å; L225-H228 VanDerWaalsContact O-N 3.16Å; F226-H228 VanDerWaalsContact C-N 3.31Å; F226-H228 PolarHBondContact O-N 3.16Å |
| 229 | C | 76.9 | Confident | 77 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -90.8 | -19.5 | 179.7 | -67 | 0 | 0 | 0 | 0 | 113.4 | L225 F226 N231 | L225-C229 WeakPolarHBondContact O-CB 3.38Å; L225-C229 PolarHBondContact O-N 3.2Å; L225-C229 PolarHBondContact O-SG 3.49Å; F226-C229 PolarHBondContact O-N 2.78Å; C229-N231 PolarHBondContact O-N 3.2Å |
| 230 | S | 72.4 | Confident | 76.2 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 30% | 0.301 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -74.9 | 115.9 | 173.3 | -164.8 | 0 | 0 | 0 | 0 | 108.1 | F226 D235 | F226-S230 WeakPolarHBondContact O-CB 2.92Å; F226-S230 PolarHBondContact O-N 2.87Å; S230-D235 PolarHBondContact OG-O 3.45Å |
| 231 | N | 63.7 | Low | 75.3 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | trans | -67.6 | 145 | 159.5 | -136.1 | 6.6 | 0 | 0 | 0 | 107.1 | C229 D233 | C229-N231 PolarHBondContact O-N 3.2Å; N231-D233 PolarHBondContact O-N 2.92Å | ||
| 232 | D | 63.8 | Low | 74.5 | Confident | 158 Ų | 158 | 76.4 Ų | 76.4 | 85% | 0.845 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -14 | -167.3 | -161 | 31.6 | 0 | 0 | 0 | 114.9 | ||
| 233 | D | 58.8 | Low | 73.7 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -17.9 | -162.1 | -67.8 | -60.1 | 0 | 0 | 0 | 117.5 | N231 | N231-D233 PolarHBondContact O-N 2.92Š|
| 234 | E | 56.8 | Low | 72.8 | Confident | 154 Ų | 154 | 79.2 Ų | 79.2 | 72% | 0.72 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -29.6 | -164.3 | -74.7 | -71.2 | 116.1 | 0 | 0 | 118.1 | ||
| 235 | D | 60.6 | Low | 71.8 | Confident | 39 Ų | 39 | 83 Ų | 83 | 21% | 0.209 | 46% | 0.455 | C | S | . | . | trans | -150.3 | 128.2 | -170.4 | -69.2 | -42.4 | 0 | 0 | 0 | 112.1 | S230 C237 Q246 H248 | S230-D235 PolarHBondContact OG-O 3.45Å; D235-C237 HydrophobicContact CB-CB 3.94Å; D235-C237 PolarHBondContact O-N 3.27Å; D235-Q246 VanDerWaalsContact CB-CD 3.46Å; D235-Q246 HydrophobicContact CB-CG 4.33Å; D235-Q246 WeakPolarHBondContact OD1-CG 3.35Å; D235-Q246 PolarHBondContact OD1-NE2 3.15Å; D235-H248 IonicContact OD2-CD2 3.86Å | ||
| 236 | N | 67.1 | Low | 70.9 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | trans | -69.7 | 51.8 | 164.2 | -166.5 | 13.6 | 0 | 0 | 0 | 111.5 | A238 D239 | N236-A238 VanDerWaalsContact C-N 3.33Å; N236-D239 VanDerWaalsContact CG-OD2 3.26Å; N236-D239 PolarHBondContact ND2-OD2 3.31Å; N236-D239 WeakPolarHBondContact OD1-CB 3.48Å; N236-D239 PolarHBondContact OD1-OD2 3.04Å | ||
| 237 | C | 65.2 | Low | 70 | Confident | 9 Ų | 9 | 86.3 Ų | 86.3 | 6% | 0.061 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -30 | -173.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | F226 D235 N240 P241 R252 | F226-C237 WeakPolarHBondContact CD1-SG 3.38Å; F226-C237 WeakPolarHBondContact CG-SG 3.04Å; D235-C237 HydrophobicContact CB-CB 3.94Å; D235-C237 PolarHBondContact O-N 3.27Å; C237-N240 CarbonylContact O-C 3.58Å; C237-P241 WeakPolarHBondContact O-CA 3.45Å; C237-R252 VanDerWaalsContact CA-NH2 3.28Å; C237-R252 PolarHBondContact O-NH2 2.79Å; C237-R252 PolarHBondContact SG-NE 3.4Å; C237-R252 PolarHBondContact SG-NH2 2.6Å |
| 238 | A | 72.9 | Confident | 69.4 | Low | 19 Ų | 19 | 83.2 Ų | 83.2 | 16% | 0.157 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -42 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K223 N236 | K223-A238 WeakPolarHBondContact CG-O 3.24Å; N236-A238 VanDerWaalsContact C-N 3.33Å |
| 239 | D | 74.7 | Confident | 69 | Low | 85 Ų | 85 | 77.1 Ų | 77.1 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -38.2 | -177 | -70.3 | -20.7 | 0 | 0 | 0 | 112.2 | N236 P241 | N236-D239 VanDerWaalsContact CG-OD2 3.26Å; N236-D239 PolarHBondContact ND2-OD2 3.31Å; N236-D239 WeakPolarHBondContact OD1-CB 3.48Å; N236-D239 PolarHBondContact OD1-OD2 3.04Å; D239-P241 VanDerWaalsContact C-CD 3.46Å; D239-P241 WeakPolarHBondContact O-CD 3.03Å |
| 240 | N | 74.8 | Confident | 69.2 | Low | 99 Ų | 99 | 78 Ų | 78 | 53% | 0.529 | 45% | 0.451 | S | S | . | . | trans | -123.7 | 67.5 | -175.2 | -69.3 | -76.2 | 0 | 0 | 0 | 111.5 | C237 C242 S243 R252 | C237-N240 CarbonylContact O-C 3.58Å; N240-C242 PolarHBondContact O-N 3.34Å; N240-C242 VanDerWaalsContact O-N 3.11Å; N240-S243 PolarHBondContact O-N 3.41Å; N240-S243 VanDerWaalsContact O-N 3.16Å; N240-R252 PolarHBondContact O-NH2 2.69Å | ||
| 241 | P | 72.5 | Confident | 69.8 | Low | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.032 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.6 | -175.2 | 22.7 | -33.7 | 0 | 0 | 0 | 112.7 | V219 V222 K223 F226 C237 D239 R252 M256 | V219-P241 HydrophobicContact CG1-CG 4.43Å; V222-P241 HydrophobicContact CG1-CB 3.83Å; K223-P241 HydrophobicContact CG-CG 4.26Å; F226-P241 HydrophobicContact CD2-CB 3.79Å; F226-P241 HydrophobicContact CE2-CB 3.77Å; C237-P241 WeakPolarHBondContact O-CA 3.45Å; D239-P241 VanDerWaalsContact C-CD 3.46Å; D239-P241 WeakPolarHBondContact O-CD 3.03Å; P241-R252 VanDerWaalsContact CA-NH2 3.29Å; P241-R252 PolarHBondContact O-NH2 3.49Å; P241-M256 HydrophobicContact CB-SD 4.25Å; P241-M256 WeakPolarHBondContact O-CE 3.37Å |
| 242 | C | 72.8 | Confident | 70.8 | Confident | 40 Ų | 40 | 74 Ų | 74 | 27% | 0.27 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 14.1 | -175.7 | -48.5 | 0 | 0 | 0 | 0 | 114.8 | N240 W253 | N240-C242 PolarHBondContact O-N 3.34Å; N240-C242 VanDerWaalsContact O-N 3.11Å; C242-W253 HydrophobicContact CB-CH2 4.46Å |
| 243 | S | 73.5 | Confident | 71.9 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | trans | -77.4 | 135.5 | 178.3 | -171 | 0 | 0 | 0 | 0 | 111.8 | N240 S245 | N240-S243 PolarHBondContact O-N 3.41Å; N240-S243 VanDerWaalsContact O-N 3.16Å; S243-S245 PolarHBondContact OG-OG 2.81Å; S243-S245 VanDerWaalsContact OG-OG 3.11Å | ||
| 244 | C | 71 | Confident | 73.3 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 57% | 0.574 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -90.4 | -3.8 | 177.9 | -63.8 | 0 | 0 | 0 | 0 | 114.3 | Q246 | C244-Q246 PolarHBondContact O-N 3.43Š|
| 245 | S | 67.4 | Low | 74.8 | Confident | 111 Ų | 111 | 63 Ų | 63 | 78% | 0.776 | 38% | 0.377 | S | S | * | . | trans | -84.9 | -1.2 | -167.7 | 61.2 | 0 | 0 | 0 | 0 | 115.4 | S243 | S243-S245 PolarHBondContact OG-OG 2.81Å; S243-S245 VanDerWaalsContact OG-OG 3.11Å | ||
| 246 | Q | 67.6 | Low | 76.1 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -105.2 | 149.8 | -169.6 | -152.5 | 147.8 | 35.6 | 0 | 0 | 111.8 | D235 C244 H248 C249 | D235-Q246 VanDerWaalsContact CB-CD 3.46Å; D235-Q246 HydrophobicContact CB-CG 4.33Å; D235-Q246 WeakPolarHBondContact OD1-CG 3.35Å; D235-Q246 PolarHBondContact OD1-NE2 3.15Å; C244-Q246 PolarHBondContact O-N 3.43Å; Q246-H248 PolarHBondContact O-N 2.82Å; Q246-C249 WeakPolarHBondContact O-CB 3.15Å; Q246-C249 PolarHBondContact O-N 3.3Å |
| 247 | S | 67.7 | Low | 77.1 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 69% | 0.685 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -26.1 | -175.6 | 47 | 0 | 0 | 0 | 0 | 114.2 | ||
| 248 | H | 71.8 | Confident | 78.4 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 26.5 | -179.6 | -61.8 | -67.9 | 0 | 0 | 0 | 114.7 | D235 Q246 C250 T251 R252 | D235-H248 IonicContact OD2-CD2 3.86Å; Q246-H248 PolarHBondContact O-N 2.82Å; H248-C250 PolarHBondContact O-N 3.49Å; H248-T251 PolarHBondContact O-N 3.16Å; H248-R252 WeakPolarHBondContact O-CG 3.43Å; H248-R252 PolarHBondContact O-N 3.4Å |
| 249 | C | 76.9 | Confident | 79.1 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 20% | 0.203 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -47.5 | -55.6 | -178.7 | -174 | 0 | 0 | 0 | 0 | 112.6 | Q246 T251 R252 W253 | Q246-C249 WeakPolarHBondContact O-CB 3.15Å; Q246-C249 PolarHBondContact O-N 3.3Å; C249-T251 PolarHBondContact O-N 3.21Å; C249-R252 PolarHBondContact O-N 2.98Å; C249-W253 PolarHBondContact O-N 2.72Å; C249-W253 PolarHBondContact SG-NE1 3.11Å |
| 250 | C | 81.3 | Confident | 79.9 | Confident | 109 Ų | 109 | 60.8 Ų | 60.8 | 74% | 0.736 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.1 | -44.9 | -177.8 | -65.6 | 0 | 0 | 0 | 0 | 113 | H248 R252 W253 S254 | H248-C250 PolarHBondContact O-N 3.49Å; C250-R252 VanDerWaalsContact C-N 3.34Å; C250-R252 PolarHBondContact O-N 2.86Å; C250-W253 PolarHBondContact O-N 2.89Å; C250-S254 PolarHBondContact O-N 3.43Å; C250-S254 PolarHBondContact O-OG 3.42Å |
| 251 | T | 84 | Confident | 80.6 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 179.4 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | H248 C249 S254 A255 | H248-T251 PolarHBondContact O-N 3.16Å; C249-T251 PolarHBondContact O-N 3.21Å; T251-S254 WeakPolarHBondContact CA-OG 3.45Å; T251-S254 PolarHBondContact O-N 3.02Å; T251-S254 PolarHBondContact O-OG 3.16Å; T251-A255 WeakPolarHBondContact O-CB 3.33Å; T251-A255 PolarHBondContact O-N 2.92Å |
| 252 | R | 84.7 | Confident | 81.5 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 3% | 0.034 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 178 | -66.9 | 174.3 | 67.6 | 179.4 | 11.6 | 111.7 | F226 C237 N240 P241 H248 C249 C250 S254 A255 M256 | F226-R252 HydrophobicContact CE1-CB 4.37Å; F226-R252 HydrophobicContact CE1-CG 4.12Å; F226-R252 HydrophobicContact CZ-CB 3.99Å; F226-R252 HydrophobicContact CZ-CG 4.18Å; C237-R252 VanDerWaalsContact CA-NH2 3.28Å; C237-R252 PolarHBondContact O-NH2 2.79Å; C237-R252 PolarHBondContact SG-NE 3.4Å; C237-R252 PolarHBondContact SG-NH2 2.6Å; N240-R252 PolarHBondContact O-NH2 2.69Å; P241-R252 VanDerWaalsContact CA-NH2 3.29Å; P241-R252 PolarHBondContact O-NH2 3.49Å; H248-R252 WeakPolarHBondContact O-CG 3.43Å; H248-R252 PolarHBondContact O-N 3.4Å; C249-R252 PolarHBondContact O-N 2.98Å; C250-R252 VanDerWaalsContact C-N 3.34Å; C250-R252 PolarHBondContact O-N 2.86Å; R252-S254 VanDerWaalsContact C-N 3.35Å; R252-A255 PolarHBondContact O-N 2.94Å; R252-M256 HydrophobicContact CB-CE 4.27Å; R252-M256 WeakPolarHBondContact O-CB 3.29Å; R252-M256 WeakPolarHBondContact O-CE 3.47Å; R252-M256 WeakPolarHBondContact O-CG 3.39Å; R252-M256 PolarHBondContact O-N 3.36Å |
| 253 | W | 88 | Confident | 82.3 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 42% | 0.424 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 174.7 | -73.8 | 106.2 | 0 | 0 | 0 | 112.3 | C242 C249 C250 M256 G257 | C242-W253 HydrophobicContact CB-CH2 4.46Å; C249-W253 PolarHBondContact O-N 2.72Å; C249-W253 PolarHBondContact SG-NE1 3.11Å; C250-W253 PolarHBondContact O-N 2.89Å; W253-M256 HydrophobicContact CD2-CE 3.92Å; W253-M256 HydrophobicContact CE3-CE 4.02Å; W253-M256 HydrophobicContact CG-CE 4.25Å; W253-M256 HydrophobicContact CZ3-CE 4.5Å; W253-M256 PolarHBondContact O-N 3.28Å; W253-G257 PolarHBondContact O-N 3.42Å |
| 254 | S | 87.6 | Confident | 83 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 48% | 0.483 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 173.9 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | C250 T251 R252 G257 V258 | C250-S254 PolarHBondContact O-N 3.43Å; C250-S254 PolarHBondContact O-OG 3.42Å; T251-S254 WeakPolarHBondContact CA-OG 3.45Å; T251-S254 PolarHBondContact O-N 3.02Å; T251-S254 PolarHBondContact O-OG 3.16Å; R252-S254 VanDerWaalsContact C-N 3.35Å; S254-G257 PolarHBondContact O-N 3.04Å; S254-V258 WeakPolarHBondContact O-CG2 3.32Å; S254-V258 PolarHBondContact O-N 2.95Å |
| 255 | A | 87.8 | Confident | 84 | Confident | 31 Ų | 31 | 69.2 Ų | 69.2 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F226 T251 R252 G257 V258 M259 | F226-A255 HydrophobicContact CE1-CB 4.32Å; F226-A255 HydrophobicContact CZ-CB 4.38Å; T251-A255 WeakPolarHBondContact O-CB 3.33Å; T251-A255 PolarHBondContact O-N 2.92Å; R252-A255 PolarHBondContact O-N 2.94Å; A255-G257 VanDerWaalsContact C-N 3.32Å; A255-G257 PolarHBondContact O-N 3.24Å; A255-V258 PolarHBondContact O-N 3.04Å; A255-M259 WeakPolarHBondContact O-CB 3.31Å; A255-M259 VanDerWaalsContact O-CG 3.28Å; A255-M259 WeakPolarHBondContact O-CG 3.5Å; A255-M259 PolarHBondContact O-N 3.32Å |
| 256 | M | 88.1 | Confident | 85.1 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 172.7 | -74.3 | -172.9 | -81 | 0 | 0 | 112 | V222 F226 P241 R252 W253 M259 S260 | V222-M256 HydrophobicContact CG1-CG 3.86Å; V222-M256 HydrophobicContact CG1-SD 4.31Å; F226-M256 HydrophobicContact CE2-CG 3.96Å; F226-M256 HydrophobicContact CE2-SD 4.33Å; F226-M256 HydrophobicContact CZ-CG 4.07Å; P241-M256 HydrophobicContact CB-SD 4.25Å; P241-M256 WeakPolarHBondContact O-CE 3.37Å; R252-M256 HydrophobicContact CB-CE 4.27Å; R252-M256 WeakPolarHBondContact O-CB 3.29Å; R252-M256 WeakPolarHBondContact O-CE 3.47Å; R252-M256 WeakPolarHBondContact O-CG 3.39Å; R252-M256 PolarHBondContact O-N 3.36Å; W253-M256 HydrophobicContact CD2-CE 3.92Å; W253-M256 HydrophobicContact CE3-CE 4.02Å; W253-M256 HydrophobicContact CG-CE 4.25Å; W253-M256 HydrophobicContact CZ3-CE 4.5Å; W253-M256 PolarHBondContact O-N 3.28Å; M256-M259 PolarHBondContact O-N 3.02Å; M256-S260 WeakPolarHBondContact O-CB 3.47Å; M256-S260 PolarHBondContact O-N 2.82Å |
| 257 | G | 89.3 | Confident | 86.2 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W253 S254 A255 S260 L261 | W253-G257 PolarHBondContact O-N 3.42Å; S254-G257 PolarHBondContact O-N 3.04Å; A255-G257 VanDerWaalsContact C-N 3.32Å; A255-G257 PolarHBondContact O-N 3.24Å; G257-S260 WeakPolarHBondContact O-CB 3.49Å; G257-S260 PolarHBondContact O-N 3.28Å; G257-S260 PolarHBondContact O-OG 3.46Å; G257-L261 PolarHBondContact O-N 3.29Å |
| 258 | V | 91.2 | Very high | 87.4 | Confident | 80 Ų | 80 | 69.5 Ų | 69.5 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | S254 A255 S260 L261 F262 | S254-V258 WeakPolarHBondContact O-CG2 3.32Å; S254-V258 PolarHBondContact O-N 2.95Å; A255-V258 PolarHBondContact O-N 3.04Å; V258-S260 PolarHBondContact O-N 3.33Å; V258-L261 WeakPolarHBondContact O-CB 3.4Å; V258-L261 PolarHBondContact O-N 2.88Å; V258-L261 VanDerWaalsContact O-N 3.08Å; V258-F262 HydrophobicContact CG1-CD2 4.41Å; V258-F262 HydrophobicContact CG1-CE2 3.85Å; V258-F262 VanDerWaalsContact O-CD2 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.34Å |
| 259 | M | 88.6 | Confident | 88.4 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -34.5 | 176.5 | -71.7 | -62.3 | -70.2 | 0 | 0 | 112.2 | L225 A255 M256 L261 F262 L263 L266 | L225-M259 HydrophobicContact CD2-CE 4.31Å; L225-M259 HydrophobicContact CD2-CG 3.79Å; L225-M259 HydrophobicContact CD2-SD 3.82Å; A255-M259 WeakPolarHBondContact O-CB 3.31Å; A255-M259 VanDerWaalsContact O-CG 3.28Å; A255-M259 WeakPolarHBondContact O-CG 3.5Å; A255-M259 PolarHBondContact O-N 3.32Å; M256-M259 PolarHBondContact O-N 3.02Å; M259-L261 PolarHBondContact O-N 3.21Å; M259-F262 PolarHBondContact O-N 3.26Å; M259-F262 VanDerWaalsContact O-N 3.1Å; M259-L263 HydrophobicContact CE-CD1 3.83Å; M259-L263 WeakPolarHBondContact O-CB 3.37Å; M259-L263 PolarHBondContact O-N 3.44Å; M259-L266 HydrophobicContact CB-CD1 4.05Å |
| 260 | S | 90.7 | Very high | 89.1 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.3 | -19.9 | 177.8 | 82.7 | 0 | 0 | 0 | 0 | 114.2 | M256 G257 V258 L263 W267 | M256-S260 WeakPolarHBondContact O-CB 3.47Å; M256-S260 PolarHBondContact O-N 2.82Å; G257-S260 WeakPolarHBondContact O-CB 3.49Å; G257-S260 PolarHBondContact O-N 3.28Å; G257-S260 PolarHBondContact O-OG 3.46Å; V258-S260 PolarHBondContact O-N 3.33Å; S260-L263 CarbonylContact O-C 3.53Å; S260-W267 PolarHBondContact OG-NE1 3.44Å; S260-W267 VanDerWaalsContact OG-NE1 3.11Å |
| 261 | L | 90.3 | Very high | 89.7 | Confident | 129 Ų | 129 | 68.3 Ų | 68.3 | 68% | 0.675 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -73 | -35.8 | 171.8 | -60.5 | 173.9 | 0 | 0 | 0 | 111.8 | G257 V258 M259 | G257-L261 PolarHBondContact O-N 3.29Å; V258-L261 WeakPolarHBondContact O-CB 3.4Å; V258-L261 PolarHBondContact O-N 2.88Å; V258-L261 VanDerWaalsContact O-N 3.08Å; M259-L261 PolarHBondContact O-N 3.21Å |
| 262 | F | 90.4 | Very high | 90.1 | Very high | 157 Ų | 157 | 65.3 Ų | 65.3 | 69% | 0.689 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -86.2 | -29 | 178.5 | -61 | -74.3 | 0 | 0 | 0 | 112.7 | V258 M259 P264 | V258-F262 HydrophobicContact CG1-CD2 4.41Å; V258-F262 HydrophobicContact CG1-CE2 3.85Å; V258-F262 VanDerWaalsContact O-CD2 3.28Å; V258-F262 WeakPolarHBondContact O-CD2 3.34Å; M259-F262 PolarHBondContact O-N 3.26Å; M259-F262 VanDerWaalsContact O-N 3.1Å; F262-P264 WeakPolarHBondContact O-CD 3.47Å |
| 263 | L | 90.1 | Very high | 90.5 | Very high | 38 Ų | 38 | 68.1 Ų | 68.1 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | trans | -117.4 | 81.5 | -178.8 | -66.3 | 174 | 0 | 0 | 0 | 109.3 | C218 C221 M259 S260 C265 L266 | C218-L263 HydrophobicContact CB-CB 4.44Å; C218-L263 HydrophobicContact CB-CD1 4.03Å; C218-L263 HydrophobicContact CB-CD2 4.18Å; C218-L263 HydrophobicContact CB-CG 4.46Å; C221-L263 HydrophobicContact CB-CD1 3.76Å; M259-L263 HydrophobicContact CE-CD1 3.83Å; M259-L263 WeakPolarHBondContact O-CB 3.37Å; M259-L263 PolarHBondContact O-N 3.44Å; S260-L263 CarbonylContact O-C 3.53Å; L263-C265 PolarHBondContact O-N 3.45Å; L263-L266 HydrophobicContact CB-CD1 3.79Å; L263-L266 HydrophobicContact CB-CG 4.03Å; L263-L266 HydrophobicContact CD1-CD1 4.11Å; L263-L266 WeakPolarHBondContact O-CB 3.44Å; L263-L266 PolarHBondContact O-N 3.4Å | ||
| 264 | P | 89.3 | Confident | 90.7 | Very high | 94 Ų | 94 | 64.8 Ų | 64.8 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.7 | -179.6 | 24.7 | -34.6 | 0 | 0 | 0 | 112.8 | F262 L266 W267 | F262-P264 WeakPolarHBondContact O-CD 3.47Å; P264-L266 PolarHBondContact O-N 2.61Å; P264-W267 PolarHBondContact O-N 2.78Å |
| 265 | C | 92 | Very high | 91 | Very high | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.9 | -27.4 | 170.8 | 43.3 | 0 | 0 | 0 | 0 | 113.8 | T217 C218 L263 W267 C268 Y269 | T217-C265 WeakPolarHBondContact CB-O 3.32Å; T217-C265 CarbonylContact O-C 3.56Å; C218-C265 HydrophobicContact CB-CB 4.25Å; C218-C265 WeakPolarHBondContact CB-SG 3.32Å; C218-C265 WeakPolarHBondContact SG-CB 3.36Å; C218-C265 CovalentContact SG-SG 2.06Å; C218-C265 PolarHBondContact SG-SG 3.44Å; L263-C265 PolarHBondContact O-N 3.45Å; C265-W267 VanDerWaalsContact C-N 3.26Å; C265-W267 PolarHBondContact O-N 2.84Å; C265-C268 VanDerWaalsContact O-CB 3.31Å; C265-C268 WeakPolarHBondContact O-CB 3.44Å; C265-C268 PolarHBondContact O-N 3.4Å; C265-Y269 PolarHBondContact O-N 3.27Å |
| 266 | L | 90.7 | Very high | 91.3 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.9 | -29.4 | 179.3 | -75.9 | 169.2 | 0 | 0 | 0 | 112.3 | T217 V219 V222 M259 L263 P264 C268 Y269 | T217-L266 WeakPolarHBondContact O-CA 2.96Å; T217-L266 WeakPolarHBondContact O-CD2 3.44Å; T217-L266 PolarHBondContact O-N 3.34Å; V219-L266 HydrophobicContact CG2-CD2 3.71Å; V222-L266 HydrophobicContact CG2-CD1 3.77Å; V222-L266 HydrophobicContact CG2-CD2 3.69Å; V222-L266 HydrophobicContact CG2-CG 4.4Å; M259-L266 HydrophobicContact CB-CD1 4.05Å; L263-L266 HydrophobicContact CB-CD1 3.79Å; L263-L266 HydrophobicContact CB-CG 4.03Å; L263-L266 HydrophobicContact CD1-CD1 4.11Å; L263-L266 WeakPolarHBondContact O-CB 3.44Å; L263-L266 PolarHBondContact O-N 3.4Å; P264-L266 PolarHBondContact O-N 2.61Å; L266-C268 PolarHBondContact O-N 2.87Å; L266-Y269 WeakPolarHBondContact O-CB 3.11Å; L266-Y269 PolarHBondContact O-N 3.23Å |
| 267 | W | 90.1 | Very high | 91.5 | Very high | 168 Ų | 168 | 69.4 Ų | 69.4 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.3 | -27.4 | 175.1 | -68.5 | 6.1 | 0 | 0 | 0 | 111.8 | S260 P264 C265 Y269 P271 | S260-W267 PolarHBondContact OG-NE1 3.44Å; S260-W267 VanDerWaalsContact OG-NE1 3.11Å; P264-W267 PolarHBondContact O-N 2.78Å; C265-W267 VanDerWaalsContact C-N 3.26Å; C265-W267 PolarHBondContact O-N 2.84Å; W267-Y269 VanDerWaalsContact C-N 3.28Å; W267-Y269 PolarHBondContact O-N 2.82Å; W267-P271 WeakPolarHBondContact O-CD 3.32Å |
| 268 | C | 92.5 | Very high | 91.8 | Very high | 74 Ų | 74 | 73.3 Ų | 73.3 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.7 | -15.8 | 172.9 | -61.4 | 0 | 0 | 0 | 0 | 112.9 | T217 C265 L266 L270 P271 A272 | T217-C268 HydrophobicContact CG2-CB 4.32Å; C265-C268 VanDerWaalsContact O-CB 3.31Å; C265-C268 WeakPolarHBondContact O-CB 3.44Å; C265-C268 PolarHBondContact O-N 3.4Å; L266-C268 PolarHBondContact O-N 2.87Å; C268-L270 PolarHBondContact O-N 3.36Å; C268-P271 VanDerWaalsContact O-CD 3.28Å; C268-P271 WeakPolarHBondContact O-CD 3.47Å; C268-P271 VanDerWaalsContact O-CG 3.31Å; C268-P271 WeakPolarHBondContact O-CG 3.45Å; C268-A272 WeakPolarHBondContact O-CB 3.31Å; C268-A272 PolarHBondContact O-N 3.11Å |
| 269 | Y | 92.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 72.9 Ų | 72.9 | 7% | 0.071 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176 | -178.8 | -115.3 | 0 | 0 | 0 | 112.5 | I213 T217 V219 C265 L266 W267 A272 K273 | I213-Y269 HydrophobicContact CG2-CD2 3.65Å; I213-Y269 HydrophobicContact CG2-CE2 3.86Å; T217-Y269 VanDerWaalsContact OG1-CD2 3.31Å; T217-Y269 WeakPolarHBondContact OG1-CD2 3.02Å; V219-Y269 HydrophobicContact CB-CD2 4.43Å; V219-Y269 HydrophobicContact CB-CE2 4.39Å; V219-Y269 HydrophobicContact CG1-CE2 4.46Å; V219-Y269 HydrophobicContact CG2-CD1 3.99Å; V219-Y269 HydrophobicContact CG2-CD2 3.42Å; V219-Y269 VanDerWaalsContact CG2-CD2 3.42Å; V219-Y269 HydrophobicContact CG2-CE1 4.26Å; V219-Y269 HydrophobicContact CG2-CE2 3.71Å; V219-Y269 HydrophobicContact CG2-CG 3.54Å; C265-Y269 PolarHBondContact O-N 3.27Å; L266-Y269 WeakPolarHBondContact O-CB 3.11Å; L266-Y269 PolarHBondContact O-N 3.23Å; W267-Y269 VanDerWaalsContact C-N 3.28Å; W267-Y269 PolarHBondContact O-N 2.82Å; Y269-A272 PolarHBondContact O-N 3.08Å; Y269-K273 HydrophobicContact CE1-CD 3.71Å; Y269-K273 HydrophobicContact CE2-CD 4.4Å; Y269-K273 WeakPolarHBondContact O-CB 3.18Å; Y269-K273 PolarHBondContact O-N 3.22Å; Y269-K273 PolarHBondContact OH-NZ 2.79Å |
| 270 | L | 90.9 | Very high | 92 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 64% | 0.644 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.2 | -54.4 | -179.9 | -60.1 | 179.1 | 0 | 0 | 0 | 112.5 | C268 G274 | C268-L270 PolarHBondContact O-N 3.36Å; L270-G274 PolarHBondContact O-N 3.04Å |
| 271 | P | 94 | Very high | 92.1 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 49% | 0.494 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 175.7 | 25.6 | -32.9 | 0 | 0 | 0 | 111.9 | W267 C268 K273 G274 C275 | W267-P271 WeakPolarHBondContact O-CD 3.32Å; C268-P271 VanDerWaalsContact O-CD 3.28Å; C268-P271 WeakPolarHBondContact O-CD 3.47Å; C268-P271 VanDerWaalsContact O-CG 3.31Å; C268-P271 WeakPolarHBondContact O-CG 3.45Å; P271-K273 PolarHBondContact O-N 3.2Å; P271-G274 PolarHBondContact O-N 3.49Å; P271-C275 WeakPolarHBondContact O-CB 3.17Å; P271-C275 PolarHBondContact O-N 3.28Å; P271-C275 PolarHBondContact O-SG 2.95Å |
| 272 | A | 93.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I213 T217 C268 Y269 G274 C275 L276 | I213-A272 HydrophobicContact CD1-CB 4.25Å; I213-A272 HydrophobicContact CG1-CB 4.2Å; I213-A272 HydrophobicContact CG2-CB 3.95Å; T217-A272 HydrophobicContact CG2-CB 4.3Å; C268-A272 WeakPolarHBondContact O-CB 3.31Å; C268-A272 PolarHBondContact O-N 3.11Å; Y269-A272 PolarHBondContact O-N 3.08Å; A272-G274 VanDerWaalsContact C-N 3.33Å; A272-G274 PolarHBondContact O-N 3.21Å; A272-C275 WeakPolarHBondContact O-CB 3.49Å; A272-C275 PolarHBondContact O-N 2.84Å; A272-L276 WeakPolarHBondContact O-CB 3.28Å; A272-L276 PolarHBondContact O-N 3.45Å |
| 273 | K | 92.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 68.1 Ų | 68.1 | 30% | 0.3 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 175.4 | -170.7 | 174.7 | -166.2 | 163.5 | 0 | 111.6 | Y269 P271 L276 K277 | Y269-K273 HydrophobicContact CE1-CD 3.71Å; Y269-K273 HydrophobicContact CE2-CD 4.4Å; Y269-K273 WeakPolarHBondContact O-CB 3.18Å; Y269-K273 PolarHBondContact O-N 3.22Å; Y269-K273 PolarHBondContact OH-NZ 2.79Å; P271-K273 PolarHBondContact O-N 3.2Å; K273-L276 PolarHBondContact O-N 3.01Å; K273-K277 VanDerWaalsContact O-CG 3.31Å; K273-K277 WeakPolarHBondContact O-CG 3.31Å; K273-K277 PolarHBondContact O-N 3.44Å |
| 274 | G | 93.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 67.1 Ų | 67.1 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L270 P271 A272 L276 K277 L278 | L270-G274 PolarHBondContact O-N 3.04Å; P271-G274 PolarHBondContact O-N 3.49Å; A272-G274 VanDerWaalsContact C-N 3.33Å; A272-G274 PolarHBondContact O-N 3.21Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.46Å; G274-K277 PolarHBondContact O-N 3.37Å; G274-L278 PolarHBondContact O-N 3.5Å |
| 275 | C | 94.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59 | -43.6 | 174.9 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | P271 A272 K277 L278 C279 | P271-C275 WeakPolarHBondContact O-CB 3.17Å; P271-C275 PolarHBondContact O-N 3.28Å; P271-C275 PolarHBondContact O-SG 2.95Å; A272-C275 WeakPolarHBondContact O-CB 3.49Å; A272-C275 PolarHBondContact O-N 2.84Å; C275-K277 PolarHBondContact O-N 3.49Å; C275-L278 WeakPolarHBondContact O-CB 3.08Å; C275-L278 PolarHBondContact O-N 2.95Å; C275-C279 WeakPolarHBondContact O-CB 3.48Å; C275-C279 PolarHBondContact O-N 3.06Å; C275-C279 PolarHBondContact O-SG 3.21Å |
| 276 | L | 93.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 74.2 Ų | 74.2 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 176.4 | -174.4 | 76.9 | 0 | 0 | 0 | 111.9 | L195 A209 Q210 I213 A272 K273 G274 L278 C279 Q280 | L195-L276 HydrophobicContact CD1-CD1 3.5Å; L195-L276 HydrophobicContact CD1-CG 4.13Å; A209-L276 HydrophobicContact CB-CD1 3.37Å; Q210-L276 HydrophobicContact CB-CD2 4.48Å; I213-L276 HydrophobicContact CD1-CB 3.61Å; I213-L276 HydrophobicContact CD1-CD1 3.88Å; I213-L276 HydrophobicContact CD1-CD2 4.06Å; I213-L276 HydrophobicContact CD1-CG 4.05Å; A272-L276 WeakPolarHBondContact O-CB 3.28Å; A272-L276 PolarHBondContact O-N 3.45Å; K273-L276 PolarHBondContact O-N 3.01Å; G274-L276 VanDerWaalsContact C-N 3.35Å; G274-L276 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.26Å; L276-C279 PolarHBondContact O-N 2.06Å; L276-Q280 VanDerWaalsContact O-CB 3.31Å; L276-Q280 WeakPolarHBondContact O-CB 3.5Å; L276-Q280 PolarHBondContact O-N 3.34Å |
| 277 | K | 92.9 | Very high | 92 | Very high | 128 Ų | 128 | 77.1 Ų | 77.1 | 56% | 0.557 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 178.1 | -70.3 | -73.9 | -179.5 | 173.7 | 0 | 111.6 | K273 G274 C275 G281 | K273-K277 VanDerWaalsContact O-CG 3.31Å; K273-K277 WeakPolarHBondContact O-CG 3.31Å; K273-K277 PolarHBondContact O-N 3.44Å; G274-K277 PolarHBondContact O-N 3.37Å; C275-K277 PolarHBondContact O-N 3.49Å; K277-G281 PolarHBondContact O-N 3.32Å |
| 278 | L | 94.7 | Very high | 91.9 | Very high | 118 Ų | 118 | 71.1 Ų | 71.1 | 62% | 0.618 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.4 | -46.6 | 173.2 | -178.5 | 62.2 | 0 | 0 | 0 | 111.3 | G274 C275 L276 G281 C282 | G274-L278 PolarHBondContact O-N 3.5Å; C275-L278 WeakPolarHBondContact O-CB 3.08Å; C275-L278 PolarHBondContact O-N 2.95Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 3.26Å; L278-G281 CarbonylContact O-C 3.36Å; L278-G281 WeakPolarHBondContact O-CA 3.41Å; L278-G281 PolarHBondContact O-N 3.33Å; L278-C282 PolarHBondContact O-N 2.87Å; L278-C282 PolarHBondContact O-SG 3.03Å; L278-C282 VanDerWaalsContact O-SG 3.33Å |
| 279 | C | 92.5 | Very high | 91.5 | Very high | 70 Ų | 70 | 71.1 Ų | 71.1 | 47% | 0.473 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.7 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | C275 L276 G281 C282 Y283 | C275-C279 WeakPolarHBondContact O-CB 3.48Å; C275-C279 PolarHBondContact O-N 3.06Å; C275-C279 PolarHBondContact O-SG 3.21Å; L276-C279 PolarHBondContact O-N 2.06Å; C279-G281 VanDerWaalsContact C-N 3.31Å; C279-G281 PolarHBondContact O-N 2.94Å; C279-C282 PolarHBondContact O-N 2.88Å; C279-Y283 VanDerWaalsContact O-CB 3.24Å; C279-Y283 WeakPolarHBondContact O-CB 3.39Å; C279-Y283 PolarHBondContact O-N 3.45Å |
| 280 | Q | 92.7 | Very high | 91.3 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.2 | -174.7 | 175.9 | 14.1 | 0 | 0 | 110.8 | L195 L276 Y283 D284 | L195-Q280 HydrophobicContact CD1-CB 3.95Å; L195-Q280 HydrophobicContact CG-CB 4Å; L195-Q280 HydrophobicContact CG-CG 4.27Å; L276-Q280 VanDerWaalsContact O-CB 3.31Å; L276-Q280 WeakPolarHBondContact O-CB 3.5Å; L276-Q280 PolarHBondContact O-N 3.34Å; Q280-Y283 PolarHBondContact O-N 3.06Å; Q280-D284 WeakPolarHBondContact O-CB 3.36Å; Q280-D284 PolarHBondContact O-N 2.87Å |
| 281 | G | 91.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58 | -54.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K277 L278 C279 Y283 D284 R285 | K277-G281 PolarHBondContact O-N 3.32Å; L278-G281 CarbonylContact O-C 3.36Å; L278-G281 WeakPolarHBondContact O-CA 3.41Å; L278-G281 PolarHBondContact O-N 3.33Å; C279-G281 VanDerWaalsContact C-N 3.31Å; C279-G281 PolarHBondContact O-N 2.94Å; G281-Y283 VanDerWaalsContact C-N 3.33Å; G281-Y283 PolarHBondContact O-N 3.18Å; G281-D284 PolarHBondContact O-N 3.4Å; G281-R285 WeakPolarHBondContact O-CB 3.36Å; G281-R285 WeakPolarHBondContact O-CG 3.35Å; G281-R285 PolarHBondContact O-N 3.33Å |
| 282 | C | 92.6 | Very high | 90.8 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 47% | 0.473 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 178.2 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | L278 C279 R285 V286 | L278-C282 PolarHBondContact O-N 2.87Å; L278-C282 PolarHBondContact O-SG 3.03Å; L278-C282 VanDerWaalsContact O-SG 3.33Å; C279-C282 PolarHBondContact O-N 2.88Å; C282-R285 WeakPolarHBondContact O-CB 3.37Å; C282-R285 PolarHBondContact O-N 3.37Å; C282-V286 WeakPolarHBondContact O-CG2 3.28Å; C282-V286 PolarHBondContact O-N 2.91Å |
| 283 | Y | 92.3 | Very high | 90.5 | Very high | 81 Ų | 81 | 67.8 Ų | 67.8 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 177.1 | -174.8 | -98 | 0 | 0 | 0 | 111.6 | R193 P194 L195 C279 Q280 G281 R285 V286 N287 | R193-Y283 HydrophobicContact CB-CD1 4.08Å; R193-Y283 HydrophobicContact CB-CE1 3.89Å; P194-Y283 VanDerWaalsContact O-CE1 3.22Å; P194-Y283 WeakPolarHBondContact O-CE1 3.38Å; L195-Y283 HydrophobicContact CD2-CD1 4.46Å; L195-Y283 HydrophobicContact CD2-CG 4.08Å; C279-Y283 VanDerWaalsContact O-CB 3.24Å; C279-Y283 WeakPolarHBondContact O-CB 3.39Å; C279-Y283 PolarHBondContact O-N 3.45Å; Q280-Y283 PolarHBondContact O-N 3.06Å; G281-Y283 VanDerWaalsContact C-N 3.33Å; G281-Y283 PolarHBondContact O-N 3.18Å; Y283-R285 VanDerWaalsContact C-N 3.27Å; Y283-R285 PolarHBondContact O-N 2.77Å; Y283-V286 PolarHBondContact O-N 3.35Å; Y283-N287 HydrophobicContact CE1-CB 4.2Å; Y283-N287 HydrophobicContact CE2-CB 4.39Å; Y283-N287 VanDerWaalsContact O-CB 3.29Å; Y283-N287 WeakPolarHBondContact O-CB 3.45Å; Y283-N287 PolarHBondContact O-N 3.37Å; Y283-N287 PolarHBondContact OH-ND2 3.23Å |
| 284 | D | 91.4 | Very high | 90 | Very high | 18 Ų | 18 | 74 Ų | 74 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 172.9 | -176.9 | 54.6 | 0 | 0 | 0 | 111.1 | P192 R193 Q280 G281 V286 R288 | P192-D284 WeakPolarHBondContact CA-OD1 3.44Å; R193-D284 PolarHBondContact N-OD1 3.5Å; Q280-D284 WeakPolarHBondContact O-CB 3.36Å; Q280-D284 PolarHBondContact O-N 2.87Å; G281-D284 PolarHBondContact O-N 3.4Å; D284-V286 VanDerWaalsContact C-N 3.3Å; D284-V286 PolarHBondContact O-N 3.28Å; D284-R288 WeakPolarHBondContact O-CB 3.43Å; D284-R288 PolarHBondContact O-N 3.26Å; D284-R288 VanDerWaalsContact O-N 3.09Å; D284-R288 WeakPolarHBondContact OD1-CD 3.43Å; D284-R288 IonicContact OD1-NH1 3.66Å; D284-R288 IonicContact OD2-NH1 3.85Å; D284-R288 PolarHBondContact OD2-NH1 3.1Å |
| 285 | R | 88.7 | Confident | 89.4 | Confident | 141 Ų | 141 | 78.8 Ų | 78.8 | 53% | 0.532 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | -177.3 | -67.3 | -80.7 | -168.8 | -153.3 | 14.8 | 112.4 | G281 C282 Y283 R292 | G281-R285 WeakPolarHBondContact O-CB 3.36Å; G281-R285 WeakPolarHBondContact O-CG 3.35Å; G281-R285 PolarHBondContact O-N 3.33Å; C282-R285 WeakPolarHBondContact O-CB 3.37Å; C282-R285 PolarHBondContact O-N 3.37Å; Y283-R285 VanDerWaalsContact C-N 3.27Å; Y283-R285 PolarHBondContact O-N 2.77Å; R285-R292 VanDerWaalsContact CZ-NH2 3.35Å; R285-R292 VanDerWaalsContact NH1-CZ 3.3Å; R285-R292 VanDerWaalsContact NH1-NE 3.11Å; R285-R292 PolarHBondContact O-NH1 3.46Å |
| 286 | V | 89.4 | Confident | 88.6 | Confident | 130 Ų | 130 | 75.9 Ų | 75.9 | 79% | 0.788 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -88.6 | -43.6 | -178.4 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | C282 Y283 D284 | C282-V286 WeakPolarHBondContact O-CG2 3.28Å; C282-V286 PolarHBondContact O-N 2.91Å; Y283-V286 PolarHBondContact O-N 3.35Å; D284-V286 VanDerWaalsContact C-N 3.3Å; D284-V286 PolarHBondContact O-N 3.28Å |
| 287 | N | 87.7 | Confident | 88 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -93.5 | -7.8 | -170 | -162 | 50.4 | 0 | 0 | 0 | 114.2 | R193 Y283 P289 | R193-N287 HydrophobicContact CG-CB 4.49Å; Y283-N287 HydrophobicContact CE1-CB 4.2Å; Y283-N287 HydrophobicContact CE2-CB 4.39Å; Y283-N287 VanDerWaalsContact O-CB 3.29Å; Y283-N287 WeakPolarHBondContact O-CB 3.45Å; Y283-N287 PolarHBondContact O-N 3.37Å; Y283-N287 PolarHBondContact OH-ND2 3.23Å; N287-P289 VanDerWaalsContact O-CD 3.32Å; N287-P289 WeakPolarHBondContact O-CD 3.38Å |
| 288 | R | 87.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 78 Ų | 78 | 16% | 0.155 | 41% | 0.41 | C | S | . | . | trans | -79.9 | 118.5 | -179.4 | -175.5 | 162.5 | 162.3 | -168.8 | 2.2 | 111.7 | C189 T190 R193 D284 | C189-R288 WeakPolarHBondContact O-CG 3.49Å; T190-R288 VanDerWaalsContact CG2-NH2 3.26Å; T190-R288 PolarHBondContact O-NE 3.03Å; T190-R288 PolarHBondContact O-NH2 2.84Å; R193-R288 HydrophobicContact CG-CB 4.37Å; D284-R288 WeakPolarHBondContact O-CB 3.43Å; D284-R288 PolarHBondContact O-N 3.26Å; D284-R288 VanDerWaalsContact O-N 3.09Å; D284-R288 WeakPolarHBondContact OD1-CD 3.43Å; D284-R288 IonicContact OD1-NH1 3.66Å; D284-R288 IonicContact OD2-NH1 3.85Å; D284-R288 PolarHBondContact OD2-NH1 3.1Å | ||
| 289 | P | 84.5 | Confident | 86.7 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | trans | -78.6 | -21.5 | -176.7 | 31.1 | -34.7 | 0 | 0 | 0 | 113.3 | N287 | N287-P289 VanDerWaalsContact O-CD 3.32Å; N287-P289 WeakPolarHBondContact O-CD 3.38Å | ||
| 290 | G | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -79.9 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K183 C184 C189 | K183-G290 WeakPolarHBondContact CD-O 3.46Å; C184-G290 CarbonylContact O-C 3.51Å; C184-G290 VanDerWaalsContact O-CA 3.22Å; C184-G290 WeakPolarHBondContact O-CA 3.44Å; C189-G290 WeakPolarHBondContact O-CA 3.22Å; C189-G290 PolarHBondContact O-N 3.36Å |
| 291 | C | 88.9 | Confident | 85 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | trans | -65.2 | 143.9 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | C178 K183 C184 K185 C293 | C178-C291 HydrophobicContact CB-CB 3.81Å; C178-C291 WeakPolarHBondContact CB-SG 3.32Å; C178-C291 PolarHBondContact SG-SG 3.05Å; K183-C291 HydrophobicContact CB-CB 4.27Å; C184-C291 PolarHBondContact O-N 3.2Å; K185-C291 HydrophobicContact CD-CB 4.22Å; K185-C291 HydrophobicContact CG-CB 3.74Å; C291-C293 PolarHBondContact SG-N 3.47Å | ||
| 292 | R | 85.5 | Confident | 83.7 | Confident | 117 Ų | 117 | 82.9 Ų | 82.9 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | trans | -121.3 | 6.2 | 176.3 | -69 | 171.9 | 47.8 | -166.8 | -18.5 | 113.3 | R285 | R285-R292 VanDerWaalsContact CZ-NH2 3.35Å; R285-R292 VanDerWaalsContact NH1-CZ 3.3Å; R285-R292 VanDerWaalsContact NH1-NE 3.11Å; R285-R292 PolarHBondContact O-NH1 3.46Å | ||
| 293 | C | 86.5 | Confident | 82.2 | Confident | 49 Ų | 49 | 84 Ų | 84 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | trans | -74.7 | 133.6 | -179.2 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | C291 S296 | C291-C293 PolarHBondContact SG-N 3.47Å; C293-S296 WeakPolarHBondContact CB-OG 3.06Å | ||
| 294 | K | 83.4 | Confident | 80.4 | Confident | 200 Ų | 200 | 85.3 Ų | 85.3 | 87% | 0.87 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -76.8 | -28.2 | -176.9 | -162 | 177.1 | -179.8 | -173.6 | 0 | 113 | ||
| 295 | N | 80.5 | Confident | 78.6 | Confident | 143 Ų | 143 | 90.3 Ų | 90.3 | 77% | 0.765 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -136.1 | 27.1 | -168.9 | -74.3 | 86.4 | 0 | 0 | 0 | 114.6 | ||
| 296 | S | 77.8 | Confident | 77 | Confident | 12 Ų | 12 | 89.3 Ų | 89.3 | 8% | 0.084 | 49% | 0.492 | C | S | . | . | trans | -88.9 | 143.6 | -175.9 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | C178 D180 K185 C293 | C178-S296 WeakPolarHBondContact SG-CB 3.33Å; C178-S296 PolarHBondContact SG-OG 2.93Å; D180-S296 WeakPolarHBondContact OD2-CA 3.49Å; D180-S296 WeakPolarHBondContact OD2-CB 3.31Å; K185-S296 WeakPolarHBondContact CE-OG 3.33Å; K185-S296 PolarHBondContact NZ-O 2.8Å; K185-S296 PolarHBondContact NZ-OG 3.42Å; C293-S296 WeakPolarHBondContact CB-OG 3.06Å | ||
| 297 | N | 79.1 | Confident | 75.4 | Confident | 116 Ų | 116 | 88 Ų | 88 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | trans | -69.5 | 152.6 | 170.1 | -69.1 | -57 | 0 | 0 | 0 | 110.9 | E179 | E179-N297 PolarHBondContact N-O 3.04Å; E179-N297 WeakPolarHBondContact OE2-CB 3.43Å | ||
| 298 | T | 82.1 | Confident | 73.9 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 110.3 | R177 K185 | R177-T298 CarbonylContact O-C 3.53Å; R177-T298 VanDerWaalsContact O-CA 3.3Å; R177-T298 WeakPolarHBondContact O-CA 3.39Å; K185-T298 HydrophobicContact CB-CG2 4.04Å; K185-T298 HydrophobicContact CD-CG2 3.36Å; K185-T298 HydrophobicContact CG-CG2 3.75Å |
| 299 | V | 79.9 | Confident | 72.3 | Confident | 67 Ų | 67 | 98.2 Ų | 98.2 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 132 | 168.6 | -66.4 | 0 | 0 | 0 | 0 | 109.1 | R177 E179 C301 | R177-V299 HydrophobicContact CB-CG2 4.26Å; R177-V299 PolarHBondContact N-O 3.24Å; R177-V299 WeakPolarHBondContact O-CG2 3.28Å; R177-V299 PolarHBondContact O-N 3.35Å; E179-V299 HydrophobicContact CB-CG1 4.45Å; E179-V299 HydrophobicContact CG-CG1 4.49Å; V299-C301 PolarHBondContact O-N 3.25Å |
| 300 | C | 76.5 | Confident | 70.8 | Confident | 82 Ų | 82 | 102 Ų | 102 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.6 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | Y176 K302 | Y176-C300 HydrophobicContact CD1-CB 4.44Å; Y176-C300 HydrophobicContact CE1-CB 4.39Å; C300-K302 PolarHBondContact O-N 3.27Å |
| 301 | C | 71.5 | Confident | 69.4 | Low | 50 Ų | 50 | 111.6 Ų | 111.6 | 34% | 0.338 | 59% | 0.591 | S | S | . | * | trans | -73.3 | 96 | 170 | -68 | 0 | 0 | 0 | 0 | 108.5 | A175 R177 V299 V303 | A175-C301 PolarHBondContact O-N 3.06Å; R177-C301 WeakPolarHBondContact CD-SG 3.34Å; V299-C301 PolarHBondContact O-N 3.25Å; C301-V303 PolarHBondContact O-N 2.85Å | ||
| 302 | K | 64.9 | Low | 67.4 | Low | 187 Ų | 187 | 120.1 Ų | 120.1 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | trans | -65.3 | 106.1 | 165.3 | -166.9 | 167.7 | -174.6 | 172.7 | 0 | 107.2 | C300 | C300-K302 PolarHBondContact O-N 3.27Š| ||
| 303 | V | 61.2 | Low | 66 | Low | 93 Ų | 93 | 123.4 Ų | 123.4 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | trans | -52.8 | 128.3 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | C301 T305 | C301-V303 PolarHBondContact O-N 2.85Å; V303-T305 PolarHBondContact O-N 2.89Å | ||
| 304 | P | 54.2 | Low | 64.7 | Low | 109 Ų | 109 | 126.2 Ų | 126.2 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | trans | -59.8 | 112.7 | 175.2 | -18.1 | 29.3 | 0 | 0 | 0 | 107.9 | V306 | P304-V306 PolarHBondContact O-N 3.2Š| ||
| 305 | T | 53.9 | Low | 63.1 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 76% | 0.761 | 69% | 0.685 | S | S | * | * | trans | -58.2 | 107.1 | 169 | -39 | 0 | 0 | 0 | 0 | 106.4 | V303 P307 | V303-T305 PolarHBondContact O-N 2.89Å; T305-P307 WeakPolarHBondContact O-CD 3.49Å; T305-P307 VanDerWaalsContact O-N 3.14Å | ||
| 306 | V | 54.2 | Low | 62.3 | Low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.8 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 106.6 | P304 | P304-V306 PolarHBondContact O-N 3.2Š|
| 307 | P | 56.3 | Low | 61.5 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.8 | 176 | -3.5 | 12.7 | 0 | 0 | 0 | 108.8 | T305 R309 | T305-P307 WeakPolarHBondContact O-CD 3.49Å; T305-P307 VanDerWaalsContact O-N 3.14Å; P307-R309 PolarHBondContact O-N 2.82Å; P307-R309 VanDerWaalsContact O-N 3.08Å |
| 308 | P | 56 | Low | 60.5 | Low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 121.7 | 175.9 | 25.8 | -31.8 | 0 | 0 | 0 | 108 | N310 | P308-N310 PolarHBondContact O-N 3.08Š|
| 309 | R | 53.6 | Low | 59.2 | Low | 225 Ų | 225 | 136 Ų | 136 | 85% | 0.849 | 73% | 0.733 | S | S | * | * | trans | -57.4 | 107.8 | 168.2 | -73.5 | -178.5 | 172.6 | -179.6 | -3.2 | 106.7 | P307 F311 | P307-R309 PolarHBondContact O-N 2.82Å; P307-R309 VanDerWaalsContact O-N 3.08Å; R309-F311 PolarHBondContact O-N 3.45Å; R309-F311 VanDerWaalsContact O-N 3.09Å | ||
| 310 | N | 53.4 | Low | 57.9 | Low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -57.9 | 114.7 | 165.2 | -88.4 | -80.1 | 0 | 0 | 0 | 106.2 | P308 E312 | P308-N310 PolarHBondContact O-N 3.08Å; N310-E312 VanDerWaalsContact C-N 3.27Å; N310-E312 PolarHBondContact O-N 2.67Å | ||
| 311 | F | 57 | Low | 56.7 | Low | 202 Ų | 202 | 144.2 Ų | 144.2 | 89% | 0.886 | 77% | 0.767 | S | S | * | * | trans | -66.3 | 96.7 | 164 | -93.2 | -94.2 | 0 | 0 | 0 | 106.5 | R309 K313 | R309-F311 PolarHBondContact O-N 3.45Å; R309-F311 VanDerWaalsContact O-N 3.09Å; F311-K313 PolarHBondContact O-N 3.11Å; F311-K313 VanDerWaalsContact O-N 3.17Å | ||
| 312 | E | 48.7 | Very low | 55.6 | Low | 186 Ų | 186 | 150.9 Ų | 150.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -55.7 | 113.6 | 162.5 | -146.8 | 172.1 | 106.1 | 0 | 0 | 107 | N310 | N310-E312 VanDerWaalsContact C-N 3.27Å; N310-E312 PolarHBondContact O-N 2.67Å | ||
| 313 | K | 54.5 | Low | 54.9 | Low | 185 Ų | 185 | 148.2 Ų | 148.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 125.1 | 173.4 | -172.1 | 177 | -177.3 | -170.1 | 0 | 107.5 | F311 | F311-K313 PolarHBondContact O-N 3.11Å; F311-K313 VanDerWaalsContact O-N 3.17Å | ||
| 314 | P | 60.1 | Low | 54.4 | Low | 109 Ų | 109 | 152.8 Ų | 152.8 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | trans | -77.5 | 132.5 | 172.1 | 8.6 | 6.1 | 0 | 0 | 0 | 109.8 | ||||
| 315 | T | 50.8 | Low | 54.4 | Low | 205 Ų | 205 | 156.7 Ų | 156.7 | 100% | 1.258 | 83% | 0.825 | S | S | * | * | trans | 78.3 | 0 | 160.4 | -32.3 | 0 | 0 | 0 | 0 | 117.6 |
Retrieved 315 of 315 residues in 147 ms
(Link to these results)