| 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 | 43.7 | Very low | 49.3 | Very low | 233 Ų | 233 | 165.3 Ų | 165.3 | 100% | 1.148 | 84% | 0.844 | S | S | * | * | 0 | 117.4 | 0 | -63 | -91.8 | -172.7 | 0 | 0 | 107.6 | |||||
| 2 | P | 46.1 | Very low | 48.2 | Very low | 130 Ų | 130 | 157.1 Ų | 157.1 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | trans | -73.7 | 134.7 | 179.9 | -5 | 21.6 | 0 | 0 | 0 | 110.4 | R4 | P2-R4 PolarHBondContact O-N 2.82Š| ||
| 3 | K | 50.8 | Low | 47.6 | Very low | 211 Ų | 211 | 156.7 Ų | 156.7 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -65.5 | 121.5 | -179.1 | -61.1 | 177.1 | 178.6 | 179.7 | 0 | 109.7 | K5 | K3-K5 PolarHBondContact O-N 3.29Š| ||
| 4 | R | 57.2 | Low | 46.9 | Very low | 242 Ų | 242 | 158.1 Ų | 158.1 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -75.5 | 116 | 172.6 | -67.6 | 173.1 | 112.9 | 173 | 1 | 108 | P2 | P2-R4 PolarHBondContact O-N 2.82Š| ||
| 5 | K | 58.3 | Low | 46.3 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | trans | -88.6 | 111.6 | 175.8 | -153.4 | 172.4 | -175.8 | 179.2 | 0 | 106.9 | K3 | K3-K5 PolarHBondContact O-N 3.29Š| ||
| 6 | V | 59.8 | Low | 46.1 | Very low | 111 Ų | 111 | 158.7 Ų | 158.7 | 67% | 0.673 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 117.4 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 107.3 | F8 | V6-F8 HydrophobicContact CG1-CD2 4.4Å; V6-F8 HydrophobicContact CG1-CE2 3.92Å; V6-F8 HydrophobicContact CG1-CZ 4.08Å |
| 7 | T | 48.3 | Very low | 45.8 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -100 | 121.8 | 174.3 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 8 | F | 51.2 | Low | 45.6 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 118.8 | 171.5 | -68.5 | -89 | 0 | 0 | 0 | 108.5 | V6 G10 | V6-F8 HydrophobicContact CG1-CD2 4.4Å; V6-F8 HydrophobicContact CG1-CE2 3.92Å; V6-F8 HydrophobicContact CG1-CZ 4.08Å; F8-G10 PolarHBondContact O-N 2.88Å |
| 9 | Q | 44.3 | Very low | 45.4 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 120 | 175.4 | -177.6 | 76.3 | 34.5 | 0 | 0 | 107.7 | V11 | Q9-V11 PolarHBondContact O-N 3.03Š|
| 10 | G | 41.4 | Very low | 45.1 | Very low | 68 Ų | 68 | 157.5 Ų | 157.5 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 120.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F8 | F8-G10 PolarHBondContact O-N 2.88Š|
| 11 | V | 41.1 | Very low | 44.7 | Very low | 127 Ų | 127 | 157.2 Ų | 157.2 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -86.3 | 110.1 | 152.7 | 143.1 | 0 | 0 | 0 | 0 | 104.8 | Q9 | Q9-V11 PolarHBondContact O-N 3.03Š| ||
| 12 | G | 35.8 | Very low | 44.6 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -78.6 | 124.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 13 | D | 40.3 | Very low | 44.1 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -123.8 | 111.6 | 149.4 | -92.7 | -47.1 | 0 | 0 | 0 | 104.8 | E15 | D13-E15 PolarHBondContact O-N 3.39Š| ||
| 14 | E | 38.3 | Very low | 43.4 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -74.2 | 116.1 | -179.7 | -64.8 | 174.7 | 162.9 | 0 | 0 | 107.9 | D16 | E14-D16 PolarHBondContact O-N 2.8Å; E14-D16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | E | 38.6 | Very low | 42.5 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 23.6 | 75.4 | 135.3 | -60.6 | 171.5 | -172.9 | 0 | 0 | 116.9 | D13 E17 | D13-E15 PolarHBondContact O-N 3.39Å; E15-E17 PolarHBondContact O-N 2.84Å | ||
| 16 | D | 41.9 | Very low | 41.4 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -86.4 | 82.8 | 158.1 | -75.4 | -46.2 | 0 | 0 | 0 | 108.8 | E14 D18 | E14-D16 PolarHBondContact O-N 2.8Å; E14-D16 VanDerWaalsContact O-N 3.11Å; D16-D18 VanDerWaalsContact C-N 3.33Å; D16-D18 PolarHBondContact O-N 2.66Å; D16-D18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | E | 41.5 | Very low | 40 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | -74.8 | 78 | 169.9 | -63.7 | -172.9 | 155.7 | 0 | 0 | 110.6 | E15 E19 | E15-E17 PolarHBondContact O-N 2.84Å; E17-E19 PolarHBondContact O-N 2.94Å | ||
| 18 | D | 41.6 | Very low | 39.5 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -83 | 89.2 | 169.9 | -80.9 | -39.6 | 0 | 0 | 0 | 110.7 | D16 I20 | D16-D18 VanDerWaalsContact C-N 3.33Å; D16-D18 PolarHBondContact O-N 2.66Å; D16-D18 VanDerWaalsContact O-N 3.1Å; D18-I20 WeakPolarHBondContact O-CG1 3.47Å; D18-I20 PolarHBondContact O-N 3.29Å | ||
| 19 | E | 41.8 | Very low | 38.8 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -59.4 | 95.8 | 169.5 | -71 | -171.8 | 156.7 | 0 | 0 | 111.6 | E17 I21 | E17-E19 PolarHBondContact O-N 2.94Å; E19-I21 PolarHBondContact O-N 3.03Å; E19-I21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | I | 40.7 | Very low | 38.8 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 93.3 | 174.4 | -34.8 | 177.2 | 0 | 0 | 0 | 109.8 | D18 V22 | D18-I20 WeakPolarHBondContact O-CG1 3.47Å; D18-I20 PolarHBondContact O-N 3.29Å; I20-V22 HydrophobicContact CG2-CG2 4.14Å; I20-V22 PolarHBondContact O-N 2.98Å | ||
| 21 | I | 36.3 | Very low | 38.6 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -69.8 | 111.6 | 173.8 | -59.7 | 166.5 | 0 | 0 | 0 | 109.8 | E19 | E19-I21 PolarHBondContact O-N 3.03Å; E19-I21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | V | 40.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -124.1 | 135 | 171.1 | -160.1 | 0 | 0 | 0 | 0 | 110.2 | I20 | I20-V22 HydrophobicContact CG2-CG2 4.14Å; I20-V22 PolarHBondContact O-N 2.98Å | ||
| 23 | P | 36.8 | Very low | 38.6 | Very low | 101 Ų | 101 | 147.4 Ų | 147.4 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | trans | -92.2 | 142.7 | -153.4 | 27.2 | -17.5 | 0 | 0 | 0 | 114.3 | K25 | P23-K25 PolarHBondContact O-N 2.97Š| ||
| 24 | K | 36.3 | Very low | 38.6 | Very low | 219 Ų | 219 | 145.8 Ų | 145.8 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -49.4 | 110.5 | 173.5 | -66.3 | 172 | 177.8 | 169 | 0 | 111.5 | ||||
| 25 | K | 37.9 | Very low | 38.4 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -94.5 | 123.1 | 175.3 | -78.5 | 178.7 | 178.2 | 167 | 0 | 111.5 | P23 | P23-K25 PolarHBondContact O-N 2.97Š| ||
| 26 | K | 35.2 | Very low | 38 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 57.6 | 99.2 | 138.2 | -63.9 | -154.5 | 177.4 | -172.4 | 0 | 120 | V28 | K26-V28 PolarHBondContact O-N 2.74Š| ||
| 27 | L | 30.8 | Very low | 38.2 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | -12.9 | 114.9 | 124.1 | -158.6 | 77 | 0 | 0 | 0 | 114.2 | |||||
| 28 | V | 37.5 | Very low | 38.1 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -135 | 122.2 | 163.9 | 26.1 | 0 | 0 | 0 | 0 | 107.7 | K26 | K26-V28 PolarHBondContact O-N 2.74Š| ||
| 29 | D | 36.9 | Very low | 38.2 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -63.9 | 141.8 | -174.8 | -68.5 | -60.1 | 0 | 0 | 0 | 112.9 | V31 | D29-V31 PolarHBondContact O-N 2.98Š| ||
| 30 | P | 42.7 | Very low | 38.7 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -74.2 | 98.8 | 174.4 | 30.4 | -32.5 | 0 | 0 | 0 | 109.3 | A32 | P30-A32 PolarHBondContact O-N 3.18Š| ||
| 31 | V | 38.5 | Very low | 39.3 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -66.6 | 105.2 | 166.1 | 70.7 | 0 | 0 | 0 | 0 | 107.8 | D29 G33 | D29-V31 PolarHBondContact O-N 2.98Å; V31-G33 PolarHBondContact O-N 3.4Å | ||
| 32 | A | 38.7 | Very low | 40.1 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -60.6 | 86.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P30 S34 | P30-A32 PolarHBondContact O-N 3.18Å; A32-S34 PolarHBondContact O-N 3.34Å | ||
| 33 | G | 37.6 | Very low | 40.6 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -68.3 | 83.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V31 G35 | V31-G33 PolarHBondContact O-N 3.4Å; G33-G35 VanDerWaalsContact C-N 3.32Å; G33-G35 PolarHBondContact O-N 3.42Å | ||
| 34 | S | 39.9 | Very low | 41.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -47.9 | 91 | 164.4 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | A32 G36 | A32-S34 PolarHBondContact O-N 3.34Å; S34-G36 PolarHBondContact O-N 3.45Å | ||
| 35 | G | 33.9 | Very low | 42.5 | Very low | 50 Ų | 50 | 129.3 Ų | 129.3 | 52% | 0.515 | 75% | 0.746 | S | S | . | * | trans | -76.3 | 101.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G33 | G33-G35 VanDerWaalsContact C-N 3.32Å; G33-G35 PolarHBondContact O-N 3.42Å | ||
| 36 | G | 31.9 | Very low | 43.5 | Very low | 50 Ų | 50 | 125 Ų | 125 | 52% | 0.515 | 74% | 0.74 | S | S | . | * | trans | -57.7 | 159.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S34 G38 | S34-G36 PolarHBondContact O-N 3.45Å; G36-G38 PolarHBondContact O-N 3.41Å | ||
| 37 | P | 44.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 96% | 0.955 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 101.5 | -173.9 | 29.3 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 38 | G | 40.6 | Very low | 46.1 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.7 | -15 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | G36 | G36-G38 PolarHBondContact O-N 3.41Š|
| 39 | S | 43.3 | Very low | 46.9 | Very low | 54 Ų | 54 | 122.6 Ų | 122.6 | 38% | 0.378 | 74% | 0.739 | S | S | . | * | trans | -97.5 | 102.8 | -176.3 | -170.9 | 0 | 0 | 0 | 0 | 112.8 | F41 | S39-F41 PolarHBondContact O-N 3.29Å; S39-F41 WeakPolarHBondContact OG-CE1 3.47Å; S39-F41 WeakPolarHBondContact OG-CE2 3.26Å; S39-F41 WeakPolarHBondContact OG-CZ 3.36Å | ||
| 40 | R | 53 | Low | 48.1 | Very low | 249 Ų | 249 | 124 Ų | 124 | 94% | 0.94 | 75% | 0.747 | S | S | * | * | trans | -80.5 | 18.6 | 179.5 | -83.8 | 171.6 | 79.3 | 102.3 | -7.3 | 114.5 | ||||
| 41 | F | 53.4 | Low | 48.6 | Very low | 153 Ų | 153 | 127 Ų | 127 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -129.8 | 65.1 | 178 | 45.7 | -91.8 | 0 | 0 | 0 | 110.4 | S39 | S39-F41 PolarHBondContact O-N 3.29Å; S39-F41 WeakPolarHBondContact OG-CE1 3.47Å; S39-F41 WeakPolarHBondContact OG-CE2 3.26Å; S39-F41 WeakPolarHBondContact OG-CZ 3.36Å | ||
| 42 | K | 51.5 | Low | 49.4 | Very low | 173 Ų | 173 | 128 Ų | 128 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -98.5 | 83 | 169.6 | -69.9 | -171.7 | -178.2 | 178 | 0 | 108.6 | ||||
| 43 | G | 52.2 | Low | 50 | Low | 54 Ų | 54 | 131.2 Ų | 131.2 | 56% | 0.557 | 75% | 0.745 | S | S | * | * | trans | 170.8 | 58.3 | 180 | 0 | 0 | 0 | 0 | 0 | 109.4 | H45 | G43-H45 PolarHBondContact O-N 3.01Å; G43-H45 VanDerWaalsContact O-N 3.17Å | ||
| 44 | K | 57.1 | Low | 50.6 | Low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -72.8 | 108.6 | 163 | -46.4 | -154.1 | -174.7 | -170.8 | 0 | 103.3 | S46 | K44-S46 VanDerWaalsContact C-N 3.33Å; K44-S46 PolarHBondContact O-N 3.17Å | ||
| 45 | H | 56.4 | Low | 51 | Low | 184 Ų | 184 | 136.6 Ų | 136.6 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | -50.5 | 107 | 167.1 | -66.2 | -85.1 | 0 | 0 | 0 | 106 | G43 L47 | G43-H45 PolarHBondContact O-N 3.01Å; G43-H45 VanDerWaalsContact O-N 3.17Å; H45-L47 PolarHBondContact O-N 3.21Å | ||
| 46 | S | 57.2 | Low | 51.6 | Low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -64.6 | 105.7 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 106 | K44 D48 | K44-S46 VanDerWaalsContact C-N 3.33Å; K44-S46 PolarHBondContact O-N 3.17Å; S46-D48 PolarHBondContact O-N 3.26Å | ||
| 47 | L | 60.5 | Low | 52.5 | Low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -63.7 | 67.6 | 163.4 | -172 | 151.1 | 0 | 0 | 0 | 107.4 | H45 | H45-L47 PolarHBondContact O-N 3.21Š|
| 48 | D | 61.1 | Low | 52.6 | Low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -151.2 | 24.2 | -179.7 | -138.8 | 19.4 | 0 | 0 | 0 | 110.3 | S46 | S46-D48 PolarHBondContact O-N 3.26Š| ||
| 49 | S | 54.7 | Low | 53 | Low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -114 | 53.1 | 170.9 | -152.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 50 | D | 61.6 | Low | 53.4 | Low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -123.3 | 13.4 | 171.5 | -152.8 | 25.6 | 0 | 0 | 0 | 110.9 | E52 | D50-E52 VanDerWaalsContact C-N 3.33Š| ||
| 51 | E | 53.2 | Low | 53.4 | Low | 187 Ų | 187 | 136.7 Ų | 136.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -98.7 | 59.1 | 161.5 | -84.7 | -173.2 | 163 | 0 | 0 | 108 | E53 | E51-E53 PolarHBondContact O-N 3.15Š| ||
| 52 | E | 55.9 | Low | 53.8 | Low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -82.3 | 105.1 | 150.3 | -71.8 | -70.8 | 157.4 | 0 | 0 | 104 | D50 D54 | D50-E52 VanDerWaalsContact C-N 3.33Å; E52-D54 PolarHBondContact O-N 2.99Å | ||
| 53 | E | 49.8 | Very low | 54.5 | Low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -28.2 | 121.5 | 172.7 | -80.7 | 163.6 | 144.3 | 0 | 0 | 110.7 | E51 D55 | E51-E53 PolarHBondContact O-N 3.15Å; E53-D55 PolarHBondContact O-N 2.93Å | ||
| 54 | D | 50.7 | Low | 55.7 | Low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -58.5 | 79.7 | 160.3 | -71.2 | -56.6 | 0 | 0 | 0 | 107.1 | E52 D56 | E52-D54 PolarHBondContact O-N 2.99Å; D54-D56 PolarHBondContact O-N 2.67Å | ||
| 55 | D | 49.3 | Very low | 56.9 | Low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | -62.3 | 96.1 | 164 | -82.8 | -35.5 | 0 | 0 | 0 | 105.3 | E53 D57 | E53-D55 PolarHBondContact O-N 2.93Å; D55-D57 PolarHBondContact O-N 2.79Å | ||
| 56 | D | 46.1 | Very low | 58.1 | Low | 167 Ų | 167 | 126.9 Ų | 126.9 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | -62.7 | 34.2 | 176.6 | -165.4 | 26.7 | 0 | 0 | 0 | 112.1 | D54 G58 | D54-D56 PolarHBondContact O-N 2.67Å; D56-G58 PolarHBondContact O-N 3.32Å | ||
| 57 | D | 50.4 | Low | 59.2 | Low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.4 | 80.6 | 177.3 | -153.6 | 66.5 | 0 | 0 | 0 | 109.2 | D55 G59 | D55-D57 PolarHBondContact O-N 2.79Å; D57-G59 PolarHBondContact O-N 2.92Å |
| 58 | G | 47.8 | Very low | 59.9 | Low | 67 Ų | 67 | 119.5 Ų | 119.5 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 31.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | D56 S60 | D56-G58 PolarHBondContact O-N 3.32Å; G58-S60 PolarHBondContact O-N 2.76Å |
| 59 | G | 47.4 | Very low | 60.7 | Low | 84 Ų | 84 | 120.3 Ų | 120.3 | 87% | 0.866 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.8 | 5.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | D57 | D57-G59 PolarHBondContact O-N 2.92Š|
| 60 | S | 52 | Low | 62.1 | Low | 67 Ų | 67 | 119.6 Ų | 119.6 | 47% | 0.469 | 66% | 0.662 | S | S | . | * | trans | -103.6 | 4.7 | -178.9 | 77.9 | 0 | 0 | 0 | 0 | 114 | G58 | G58-S60 PolarHBondContact O-N 2.76Š| ||
| 61 | S | 53.4 | Low | 63 | Low | 107 Ų | 107 | 113.1 Ų | 113.1 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -1.6 | -166.7 | 59 | 0 | 0 | 0 | 0 | 115.8 | ||
| 62 | K | 61 | Low | 64.3 | Low | 174 Ų | 174 | 112.9 Ų | 112.9 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -31.3 | 176.2 | -166.8 | 173.1 | -179.6 | 175.9 | 0 | 112.5 | ||
| 63 | Y | 66.3 | Low | 65.5 | Low | 109 Ų | 109 | 107.9 Ų | 107.9 | 43% | 0.427 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.4 | 122.8 | 174.4 | -63.1 | -81.7 | 0 | 0 | 0 | 105.7 | I65 F108 | Y63-I65 WeakPolarHBondContact O-CG1 3.47Å; Y63-I65 PolarHBondContact O-N 3.02Å; Y63-F108 HydrophobicContact CD1-CE2 4.43Å; Y63-F108 HydrophobicContact CD1-CZ 4.17Å; Y63-F108 HydrophobicContact CE1-CZ 4.21Å; Y63-F108 HydrophobicContact CG-CE2 4.41Å; Y63-F108 HydrophobicContact CG-CZ 4.35Å |
| 64 | D | 78.9 | Confident | 67 | Low | 123 Ų | 123 | 104.4 Ų | 104.4 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 100.6 | 178.4 | -162.5 | 14.7 | 0 | 0 | 0 | 108.1 | L66 D102 A103 | D64-L66 PolarHBondContact O-N 2.85Å; D64-D102 CarbonylContact O-C 3.51Å; D64-D102 WeakPolarHBondContact O-CA 3.19Å; D64-A103 HydrophobicContact CB-CB 4.15Å; D64-A103 PolarHBondContact O-N 2.84Å |
| 65 | I | 81.1 | Confident | 68.6 | Low | 76 Ų | 76 | 102.4 Ų | 102.4 | 39% | 0.39 | 59% | 0.588 | S | S | . | * | B | Isolated β-bridge | trans | -72.7 | 121.2 | -174.7 | -60.2 | 178 | 0 | 0 | 0 | 107.9 | Y63 A67 H100 F101 | Y63-I65 WeakPolarHBondContact O-CG1 3.47Å; Y63-I65 PolarHBondContact O-N 3.02Å; I65-A67 PolarHBondContact O-N 2.84Å; I65-H100 HydrophobicContact CG2-CB 3.88Å; I65-F101 WeakPolarHBondContact CA-O 3.49Å |
| 66 | L | 81.9 | Confident | 70.1 | Confident | 50 Ų | 50 | 100 Ų | 100 | 26% | 0.262 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 134.9 | 176.7 | -71.8 | 178.5 | 0 | 0 | 0 | 111.1 | D64 D70 F101 D102 A103 | D64-L66 PolarHBondContact O-N 2.85Å; L66-D70 HydrophobicContact CD2-CB 4.07Å; L66-F101 HydrophobicContact CB-CB 4.37Å; L66-F101 HydrophobicContact CD1-CB 4.16Å; L66-F101 PolarHBondContact N-O 3.5Å; L66-D102 WeakPolarHBondContact CD1-O 3.45Å; L66-D102 WeakPolarHBondContact CG-O 3.22Å; L66-A103 HydrophobicContact CD2-CB 4.29Å |
| 67 | A | 80.3 | Confident | 71.7 | Confident | 39 Ų | 39 | 95.8 Ų | 95.8 | 32% | 0.322 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -77.4 | 157.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I65 E69 D70 | I65-A67 PolarHBondContact O-N 2.84Å; A67-E69 HydrophobicContact CB-CG 3.84Å; A67-E69 PolarHBondContact O-N 2.84Å; A67-D70 PolarHBondContact N-OD2 2.78Å; A67-D70 VanDerWaalsContact N-OD2 3.12Å; A67-D70 PolarHBondContact O-N 3.21Å |
| 68 | S | 74.9 | Confident | 73.1 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 57% | 0.573 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -18.9 | 177 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | Q74 | S68-Q74 PolarHBondContact O-NE2 3.37Š|
| 69 | E | 79.1 | Confident | 74.6 | Confident | 167 Ų | 167 | 95.2 Ų | 95.2 | 78% | 0.78 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -22.2 | 177.5 | 58.9 | -174.5 | -179.9 | 0 | 0 | 113.7 | A67 V71 | A67-E69 HydrophobicContact CB-CG 3.84Å; A67-E69 PolarHBondContact O-N 2.84Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 3.23Å |
| 70 | D | 83.2 | Confident | 76 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -11 | 177.9 | -58.4 | -42.1 | 0 | 0 | 0 | 112.3 | L66 A67 E72 | L66-D70 HydrophobicContact CD2-CB 4.07Å; A67-D70 PolarHBondContact N-OD2 2.78Å; A67-D70 VanDerWaalsContact N-OD2 3.12Å; A67-D70 PolarHBondContact O-N 3.21Å; D70-E72 PolarHBondContact O-N 2.77Å |
| 71 | V | 81.1 | Confident | 77.5 | Confident | 24 Ų | 24 | 96.1 Ų | 96.1 | 15% | 0.145 | 55% | 0.55 | C | S | . | . | trans | -82.4 | 102.1 | -177.7 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | E69 Q74 L92 M96 | E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 3.23Å; V71-Q74 HydrophobicContact CG1-CG 4.05Å; V71-L92 HydrophobicContact CG1-CB 4.33Å; V71-L92 HydrophobicContact CG1-CD1 3.25Å; V71-L92 HydrophobicContact CG1-CG 4.39Å; V71-M96 HydrophobicContact CG2-CE 4.17Å; V71-M96 HydrophobicContact CG2-SD 4.13Å | ||
| 72 | E | 79.9 | Confident | 78.7 | Confident | 182 Ų | 182 | 97.2 Ų | 97.2 | 85% | 0.85 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 151.4 | 175.7 | -62.1 | -171.9 | 171.5 | 0 | 0 | 112.9 | D70 | D70-E72 PolarHBondContact O-N 2.77Š|
| 73 | G | 81 | Confident | 79.7 | Confident | 56 Ų | 56 | 93 Ų | 93 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 13.9 | 169 | 0 | 0 | 0 | 0 | 0 | 116.6 | E75 | G73-E75 PolarHBondContact O-N 3.34Š|
| 74 | Q | 82.3 | Confident | 80.4 | Confident | 90 Ų | 90 | 91.2 Ų | 91.2 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 121.4 | 176.6 | -62.8 | 178.2 | 11.7 | 0 | 0 | 111.7 | S68 V71 | S68-Q74 PolarHBondContact O-NE2 3.37Å; V71-Q74 HydrophobicContact CG1-CG 4.05Å |
| 75 | E | 83.3 | Confident | 80.7 | Confident | 122 Ų | 122 | 90.2 Ų | 90.2 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 158.3 | 176.7 | -63.5 | -164.1 | 161.8 | 0 | 0 | 112.6 | G73 F90 N91 | G73-E75 PolarHBondContact O-N 3.34Å; E75-F90 PolarHBondContact N-O 3.39Å; E75-N91 WeakPolarHBondContact O-CB 3.42Å |
| 76 | A | 80.6 | Confident | 80.8 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 148.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T78 | A76-T78 PolarHBondContact O-N 3.38Š|
| 77 | A | 79.7 | Confident | 80.9 | Confident | 78 Ų | 78 | 98 Ų | 98 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 124 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | P89 | A77-P89 HydrophobicContact CB-CB 4.15Å; A77-P89 HydrophobicContact CB-CG 4.22Å |
| 78 | T | 79.4 | Confident | 81 | Confident | 83 Ų | 83 | 100.8 Ų | 100.8 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | trans | -77.7 | -170.9 | 177.1 | -41.3 | 0 | 0 | 0 | 0 | 110.9 | A76 | A76-T78 PolarHBondContact O-N 3.38Š| ||
| 79 | L | 80.8 | Confident | 81.5 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 56% | 0.555 | 58% | 0.584 | S | S | * | * | trans | -54.7 | 131.8 | 172.1 | -60.7 | 177.7 | 0 | 0 | 0 | 110.5 | S81 | L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 3.32Å | ||
| 80 | P | 76.9 | Confident | 81.8 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 71% | 0.714 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -67.7 | -24.1 | -173.5 | 25.4 | -34.6 | 0 | 0 | 0 | 113.6 | I87 | P80-I87 PolarHBondContact O-N 2.62Š|
| 81 | S | 82 | Confident | 81.9 | Confident | 60 Ų | 60 | 93.1 Ų | 93.1 | 42% | 0.42 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -155.5 | 137.1 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | L79 V85 | L79-S81 VanDerWaalsContact C-N 3.25Å; L79-S81 PolarHBondContact O-N 3.32Å; S81-V85 WeakPolarHBondContact CA-O 3.34Å; S81-V85 WeakPolarHBondContact CB-O 3.34Å; S81-V85 PolarHBondContact OG-O 3.13Å |
| 82 | E | 79 | Confident | 82.1 | Confident | 131 Ų | 131 | 93.5 Ų | 93.5 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.4 | 167.2 | -170.9 | 149.4 | -177.6 | 0 | 0 | 109 | G84 V85 I87 | E82-G84 PolarHBondContact O-N 3.18Å; E82-V85 PolarHBondContact N-O 2.95Å; E82-V85 VanDerWaalsContact N-O 3.14Å; E82-V85 PolarHBondContact O-N 3.29Å; E82-I87 HydrophobicContact CB-CD1 3.7Å |
| 83 | G | 82.3 | Confident | 82.3 | Confident | 86 Ų | 86 | 91 Ų | 91 | 89% | 0.887 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 17 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | V85 | G83-V85 VanDerWaalsContact C-N 3.35Š|
| 84 | G | 81.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 93.1 Ų | 93.1 | 73% | 0.732 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 1.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E82 | E82-G84 PolarHBondContact O-N 3.18Š|
| 85 | V | 85.6 | Confident | 82.7 | Confident | 101 Ų | 101 | 92 Ų | 92 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.1 | 169.7 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | S81 E82 G83 | S81-V85 WeakPolarHBondContact CA-O 3.34Å; S81-V85 WeakPolarHBondContact CB-O 3.34Å; S81-V85 PolarHBondContact OG-O 3.13Å; E82-V85 PolarHBondContact N-O 2.95Å; E82-V85 VanDerWaalsContact N-O 3.14Å; E82-V85 PolarHBondContact O-N 3.29Å; G83-V85 VanDerWaalsContact C-N 3.35Å |
| 86 | R | 82.1 | Confident | 82.7 | Confident | 226 Ų | 226 | 88.9 Ų | 88.9 | 85% | 0.853 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.6 | 172.3 | -64.2 | 179.9 | -173 | 166 | 1.2 | 108.1 | ||
| 87 | I | 83.5 | Confident | 82.8 | Confident | 63 Ų | 63 | 92.4 Ų | 92.4 | 32% | 0.323 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 118.7 | 177.6 | -58.6 | 174.5 | 0 | 0 | 0 | 107.3 | P80 E82 | P80-I87 PolarHBondContact O-N 2.62Å; E82-I87 HydrophobicContact CB-CD1 3.7Å |
| 88 | T | 83 | Confident | 83 | Confident | 98 Ų | 98 | 93.3 Ų | 93.3 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 128 | 168.3 | 45.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 89 | P | 84.8 | Confident | 83.5 | Confident | 36 Ų | 36 | 89.5 Ų | 89.5 | 23% | 0.234 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 148.3 | 177.5 | 32.5 | -35 | 0 | 0 | 0 | 111 | A77 N91 | A77-P89 HydrophobicContact CB-CB 4.15Å; A77-P89 HydrophobicContact CB-CG 4.22Å; P89-N91 PolarHBondContact O-N 3.38Å |
| 90 | F | 86.6 | Confident | 83.8 | Confident | 128 Ų | 128 | 87 Ų | 87 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -81.5 | 67.9 | 178 | -166.7 | -105.6 | 0 | 0 | 0 | 110.9 | E75 | E75-F90 PolarHBondContact N-O 3.39Š|
| 91 | N | 84.1 | Confident | 84.3 | Confident | 17 Ų | 17 | 83.7 Ų | 83.7 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -123.3 | 1 | -179.1 | 71.5 | 0.2 | 0 | 0 | 0 | 114 | E75 P89 Q93 | E75-N91 WeakPolarHBondContact O-CB 3.42Å; P89-N91 PolarHBondContact O-N 3.38Å; N91-Q93 HydrophobicContact CB-CG 4.34Å; N91-Q93 PolarHBondContact ND2-OE1 3.1Å; N91-Q93 PolarHBondContact O-N 3Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.34Å; N91-Q93 PolarHBondContact OD1-N 3.37Å; N91-Q93 VanDerWaalsContact OD1-N 3.16Å |
| 92 | L | 85.6 | Confident | 84.6 | Confident | 31 Ų | 31 | 81 Ų | 81 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | trans | 56.9 | 12.2 | 178.4 | -66.7 | 165.6 | 0 | 0 | 0 | 114.8 | V71 E95 M96 F101 | V71-L92 HydrophobicContact CG1-CB 4.33Å; V71-L92 HydrophobicContact CG1-CD1 3.25Å; V71-L92 HydrophobicContact CG1-CG 4.39Å; L92-E95 VanDerWaalsContact CA-OE2 3.23Å; L92-E95 WeakPolarHBondContact CA-OE2 3.27Å; L92-E95 HydrophobicContact CD2-CB 4.24Å; L92-E95 HydrophobicContact CD2-CG 4.21Å; L92-M96 VanDerWaalsContact O-CB 3.31Å; L92-M96 WeakPolarHBondContact O-CB 3.29Å; L92-M96 WeakPolarHBondContact O-CG 3.42Å; L92-M96 PolarHBondContact O-N 3.14Å; L92-F101 HydrophobicContact CD2-CE2 4.33Å; L92-F101 HydrophobicContact CD2-CZ 4.03Å | ||
| 93 | Q | 83.7 | Confident | 84.9 | Confident | 129 Ų | 129 | 77.4 Ų | 77.4 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.2 | -40.4 | -175.5 | -72.7 | -179.9 | -18.1 | 0 | 0 | 112.3 | N91 E97 | N91-Q93 HydrophobicContact CB-CG 4.34Å; N91-Q93 PolarHBondContact ND2-OE1 3.1Å; N91-Q93 PolarHBondContact O-N 3Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.34Å; N91-Q93 PolarHBondContact OD1-N 3.37Å; N91-Q93 VanDerWaalsContact OD1-N 3.16Å; Q93-E97 PolarHBondContact O-N 2.88Å; Q93-E97 VanDerWaalsContact O-N 3.14Å |
| 94 | E | 85.4 | Confident | 85 | Confident | 101 Ų | 101 | 80 Ų | 80 | 47% | 0.472 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 178.3 | -173.4 | 168.8 | -179.3 | 0 | 0 | 109.7 | M96 E97 E98 | E94-M96 PolarHBondContact O-N 2.8Å; E94-E97 PolarHBondContact O-N 3.18Å; E94-E98 WeakPolarHBondContact O-CB 2.83Å; E94-E98 WeakPolarHBondContact O-CG 3.4Å; E94-E98 PolarHBondContact O-N 3.47Å |
| 95 | E | 86.7 | Confident | 85.1 | Confident | 67 Ų | 67 | 79 Ų | 79 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 178 | -64.5 | 83.3 | 168.5 | 0 | 0 | 111.8 | L92 E97 E98 G99 F101 Y107 | L92-E95 VanDerWaalsContact CA-OE2 3.23Å; L92-E95 WeakPolarHBondContact CA-OE2 3.27Å; L92-E95 HydrophobicContact CD2-CB 4.24Å; L92-E95 HydrophobicContact CD2-CG 4.21Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.87Å; E95-E98 PolarHBondContact O-N 3.13Å; E95-G99 CarbonylContact O-C 3.28Å; E95-G99 WeakPolarHBondContact O-CA 3.35Å; E95-G99 PolarHBondContact O-N 3.26Å; E95-F101 HydrophobicContact CB-CE2 4.05Å; E95-F101 HydrophobicContact CB-CZ 4.25Å; E95-Y107 HydrophobicContact CB-CE2 4.14Å; E95-Y107 WeakPolarHBondContact O-CE2 3.36Å; E95-Y107 PolarHBondContact O-OH 2.86Å |
| 96 | M | 83 | Confident | 85.3 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.3 | -19.6 | 176.8 | -69 | -169.6 | 89.6 | 0 | 0 | 114.1 | V71 L92 E94 G99 | V71-M96 HydrophobicContact CG2-CE 4.17Å; V71-M96 HydrophobicContact CG2-SD 4.13Å; L92-M96 VanDerWaalsContact O-CB 3.31Å; L92-M96 WeakPolarHBondContact O-CB 3.29Å; L92-M96 WeakPolarHBondContact O-CG 3.42Å; L92-M96 PolarHBondContact O-N 3.14Å; E94-M96 PolarHBondContact O-N 2.8Å; M96-G99 CarbonylContact C-O 3.44Å; M96-G99 VanDerWaalsContact C-O 3.28Å; M96-G99 WeakPolarHBondContact CA-O 3.46Å |
| 97 | E | 83.7 | Confident | 85.6 | Confident | 163 Ų | 163 | 71.5 Ų | 71.5 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -82.2 | -45.3 | 171.3 | -177.6 | 174.9 | -174.5 | 0 | 0 | 110.6 | Q93 E94 E95 G99 | Q93-E97 PolarHBondContact O-N 2.88Å; Q93-E97 VanDerWaalsContact O-N 3.14Å; E94-E97 PolarHBondContact O-N 3.18Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.87Å; E97-G99 VanDerWaalsContact C-N 3.28Å; E97-G99 PolarHBondContact O-N 2.7Å |
| 98 | E | 84.7 | Confident | 85.7 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -75.7 | -16.9 | -178.8 | -68.7 | -174.2 | -176.4 | 0 | 0 | 113.2 | E94 E95 Y107 L109 N110 | E94-E98 WeakPolarHBondContact O-CB 2.83Å; E94-E98 WeakPolarHBondContact O-CG 3.4Å; E94-E98 PolarHBondContact O-N 3.47Å; E95-E98 PolarHBondContact O-N 3.13Å; E98-Y107 VanDerWaalsContact C-OH 3.29Å; E98-Y107 WeakPolarHBondContact CB-OH 3.32Å; E98-L109 HydrophobicContact CB-CD1 3.97Å; E98-L109 WeakPolarHBondContact O-CD1 3.43Å; E98-N110 WeakPolarHBondContact O-CA 3.36Å; E98-N110 VanDerWaalsContact O-CB 3.27Å; E98-N110 WeakPolarHBondContact O-CB 3.23Å; E98-N110 PolarHBondContact O-N 3.41Å |
| 99 | G | 88.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | -170.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | E95 M96 E97 Y107 F108 N110 | E95-G99 CarbonylContact O-C 3.28Å; E95-G99 WeakPolarHBondContact O-CA 3.35Å; E95-G99 PolarHBondContact O-N 3.26Å; M96-G99 CarbonylContact C-O 3.44Å; M96-G99 VanDerWaalsContact C-O 3.28Å; M96-G99 WeakPolarHBondContact CA-O 3.46Å; E97-G99 VanDerWaalsContact C-N 3.28Å; E97-G99 PolarHBondContact O-N 2.7Å; G99-Y107 WeakPolarHBondContact CA-OH 3.42Å; G99-Y107 PolarHBondContact N-OH 3.33Å; G99-Y107 VanDerWaalsContact N-OH 3.15Å; G99-F108 CarbonylContact C-O 3.43Å; G99-F108 WeakPolarHBondContact CA-O 3.39Å; G99-N110 WeakPolarHBondContact CA-ND2 3.35Å |
| 100 | H | 86.5 | Confident | 85.7 | Confident | 55 Ų | 55 | 73 Ų | 73 | 26% | 0.255 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.7 | -179.8 | 53.5 | -83.2 | 0 | 0 | 0 | 110.9 | I65 F108 N110 | I65-H100 HydrophobicContact CG2-CB 3.88Å; H100-F108 PolarHBondContact N-O 2.82Å; H100-F108 PolarHBondContact ND1-O 3.42Å; H100-F108 WeakPolarHBondContact NE2-CB 3.28Å; H100-F108 AromaticContact NE2-CG 3.92Å; H100-F108 PolarHBondContact O-N 2.79Å; H100-N110 PolarHBondContact CE1-OD1 2.9Å; H100-N110 PolarHBondContact ND1-OD1 3.16Å |
| 101 | F | 87.9 | Confident | 85.2 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 17% | 0.171 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.2 | 175.3 | -69.4 | -94 | 0 | 0 | 0 | 109.6 | I65 L66 L92 E95 N106 Y107 | I65-F101 WeakPolarHBondContact CA-O 3.49Å; L66-F101 HydrophobicContact CB-CB 4.37Å; L66-F101 HydrophobicContact CD1-CB 4.16Å; L66-F101 PolarHBondContact N-O 3.5Å; L92-F101 HydrophobicContact CD2-CE2 4.33Å; L92-F101 HydrophobicContact CD2-CZ 4.03Å; E95-F101 HydrophobicContact CB-CE2 4.05Å; E95-F101 HydrophobicContact CB-CZ 4.25Å; F101-N106 VanDerWaalsContact CA-O 3.3Å; F101-N106 WeakPolarHBondContact CA-O 3.47Å; F101-Y107 HydrophobicContact CD1-CD2 4.33Å; F101-Y107 HydrophobicContact CD2-CD2 4.08Å; F101-Y107 AromaticContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CG 4.27Å; F101-Y107 AromaticContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CE2 4.1Å; F101-Y107 HydrophobicContact CG-CD2 4.39Å; F101-Y107 AromaticContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CE2 4.32Å; F101-Y107 HydrophobicContact CZ-CG 4.21Å |
| 102 | D | 87.7 | Confident | 84.4 | Confident | 3 Ų | 3 | 81.1 Ų | 81.1 | 2% | 0.016 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -85.5 | 167.9 | 165.7 | 67.3 | 13.6 | 0 | 0 | 0 | 111.3 | D64 L66 D104 G105 N106 F108 | D64-D102 CarbonylContact O-C 3.51Å; D64-D102 WeakPolarHBondContact O-CA 3.19Å; L66-D102 WeakPolarHBondContact CD1-O 3.45Å; L66-D102 WeakPolarHBondContact CG-O 3.22Å; D102-D104 PolarHBondContact O-N 3.12Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D102-D104 WeakPolarHBondContact OD1-CA 3.4Å; D102-D104 WeakPolarHBondContact OD1-CB 3.43Å; D102-D104 PolarHBondContact OD1-N 2.76Å; D102-D104 VanDerWaalsContact OD1-N 3.1Å; D102-G105 PolarHBondContact O-N 2.81Å; D102-G105 PolarHBondContact OD1-N 3.49Å; D102-N106 PolarHBondContact N-O 3.48Å; D102-N106 WeakPolarHBondContact OD1-CA 3.15Å; D102-N106 WeakPolarHBondContact OD1-CB 3.17Å; D102-N106 PolarHBondContact OD1-N 3.5Å; D102-N106 WeakPolarHBondContact OD2-CB 3.4Å; D102-N106 PolarHBondContact OD2-ND2 2.74Å; D102-F108 HydrophobicContact CB-CE2 3.87Å; D102-F108 VanDerWaalsContact OD2-CE2 3.32Å; D102-F108 WeakPolarHBondContact OD2-CE2 3.5Å |
| 103 | A | 85 | Confident | 83.6 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | D64 L66 G105 | D64-A103 HydrophobicContact CB-CB 4.15Å; D64-A103 PolarHBondContact O-N 2.84Å; L66-A103 HydrophobicContact CD2-CB 4.29Å; A103-G105 VanDerWaalsContact C-N 3.31Å |
| 104 | D | 86.2 | Confident | 82.9 | Confident | 141 Ų | 141 | 81.6 Ų | 81.6 | 75% | 0.754 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.7 | 175.1 | -67.9 | -38.5 | 0 | 0 | 0 | 112.5 | D102 | D102-D104 PolarHBondContact O-N 3.12Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D102-D104 WeakPolarHBondContact OD1-CA 3.4Å; D102-D104 WeakPolarHBondContact OD1-CB 3.43Å; D102-D104 PolarHBondContact OD1-N 2.76Å; D102-D104 VanDerWaalsContact OD1-N 3.1Å |
| 105 | G | 82.3 | Confident | 82.4 | Confident | 49 Ų | 49 | 82.8 Ų | 82.8 | 51% | 0.505 | 43% | 0.432 | S | S | . | . | trans | 85.9 | 12 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D102 A103 | D102-G105 PolarHBondContact O-N 2.81Å; D102-G105 PolarHBondContact OD1-N 3.49Å; A103-G105 VanDerWaalsContact C-N 3.31Å | ||
| 106 | N | 89.1 | Confident | 81.6 | Confident | 87 Ų | 87 | 87.4 Ų | 87.4 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | trans | -77.3 | 138.9 | 172.4 | -55.1 | -49.2 | 0 | 0 | 0 | 110.7 | F101 D102 F108 | F101-N106 VanDerWaalsContact CA-O 3.3Å; F101-N106 WeakPolarHBondContact CA-O 3.47Å; D102-N106 PolarHBondContact N-O 3.48Å; D102-N106 WeakPolarHBondContact OD1-CA 3.15Å; D102-N106 WeakPolarHBondContact OD1-CB 3.17Å; D102-N106 PolarHBondContact OD1-N 3.5Å; D102-N106 WeakPolarHBondContact OD2-CB 3.4Å; D102-N106 PolarHBondContact OD2-ND2 2.74Å; N106-F108 HydrophobicContact CB-CE2 3.98Å; N106-F108 HydrophobicContact CB-CZ 4.23Å | ||
| 107 | Y | 88.5 | Confident | 81.5 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.3 | 175.9 | 179.8 | -114.4 | 0 | 0 | 0 | 111.9 | E95 E98 G99 F101 L109 | E95-Y107 HydrophobicContact CB-CE2 4.14Å; E95-Y107 WeakPolarHBondContact O-CE2 3.36Å; E95-Y107 PolarHBondContact O-OH 2.86Å; E98-Y107 VanDerWaalsContact C-OH 3.29Å; E98-Y107 WeakPolarHBondContact CB-OH 3.32Å; G99-Y107 WeakPolarHBondContact CA-OH 3.42Å; G99-Y107 PolarHBondContact N-OH 3.33Å; G99-Y107 VanDerWaalsContact N-OH 3.15Å; F101-Y107 HydrophobicContact CD1-CD2 4.33Å; F101-Y107 HydrophobicContact CD2-CD2 4.08Å; F101-Y107 AromaticContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CD2 3.96Å; F101-Y107 HydrophobicContact CE1-CG 4.27Å; F101-Y107 AromaticContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CD2 3.67Å; F101-Y107 HydrophobicContact CE2-CE2 4.1Å; F101-Y107 HydrophobicContact CG-CD2 4.39Å; F101-Y107 AromaticContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CD2 3.61Å; F101-Y107 HydrophobicContact CZ-CE2 4.32Å; F101-Y107 HydrophobicContact CZ-CG 4.21Å; Y107-L109 HydrophobicContact CE1-CB 4.15Å; Y107-L109 HydrophobicContact CE1-CD1 4.04Å |
| 108 | F | 85.7 | Confident | 81.5 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 108 | 174.8 | -63.5 | -83 | 0 | 0 | 0 | 110.3 | Y63 G99 H100 D102 N106 N110 | Y63-F108 HydrophobicContact CD1-CE2 4.43Å; Y63-F108 HydrophobicContact CD1-CZ 4.17Å; Y63-F108 HydrophobicContact CE1-CZ 4.21Å; Y63-F108 HydrophobicContact CG-CE2 4.41Å; Y63-F108 HydrophobicContact CG-CZ 4.35Å; G99-F108 CarbonylContact C-O 3.43Å; G99-F108 WeakPolarHBondContact CA-O 3.39Å; H100-F108 PolarHBondContact N-O 2.82Å; H100-F108 PolarHBondContact ND1-O 3.42Å; H100-F108 WeakPolarHBondContact NE2-CB 3.28Å; H100-F108 AromaticContact NE2-CG 3.92Å; H100-F108 PolarHBondContact O-N 2.79Å; D102-F108 HydrophobicContact CB-CE2 3.87Å; D102-F108 VanDerWaalsContact OD2-CE2 3.32Å; D102-F108 WeakPolarHBondContact OD2-CE2 3.5Å; N106-F108 HydrophobicContact CB-CE2 3.98Å; N106-F108 HydrophobicContact CB-CZ 4.23Å; F108-N110 PolarHBondContact O-N 3.07Å |
| 109 | L | 87.6 | Confident | 81.4 | Confident | 99 Ų | 99 | 90.3 Ų | 90.3 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 125.8 | 174.4 | -172.4 | 77.5 | 0 | 0 | 0 | 110.6 | E98 Y107 R111 | E98-L109 HydrophobicContact CB-CD1 3.97Å; E98-L109 WeakPolarHBondContact O-CD1 3.43Å; Y107-L109 HydrophobicContact CE1-CB 4.15Å; Y107-L109 HydrophobicContact CE1-CD1 4.04Å; L109-R111 PolarHBondContact O-N 3.28Å; L109-R111 VanDerWaalsContact O-N 3.15Å |
| 110 | N | 81.1 | Confident | 81 | Confident | 61 Ų | 61 | 93 Ų | 93 | 33% | 0.326 | 48% | 0.479 | S | S | . | . | trans | -70.7 | 106.4 | 171.8 | -61.5 | -28.3 | 0 | 0 | 0 | 108.6 | E98 G99 H100 F108 D112 | E98-N110 WeakPolarHBondContact O-CA 3.36Å; E98-N110 VanDerWaalsContact O-CB 3.27Å; E98-N110 WeakPolarHBondContact O-CB 3.23Å; E98-N110 PolarHBondContact O-N 3.41Å; G99-N110 WeakPolarHBondContact CA-ND2 3.35Å; H100-N110 PolarHBondContact CE1-OD1 2.9Å; H100-N110 PolarHBondContact ND1-OD1 3.16Å; F108-N110 PolarHBondContact O-N 3.07Å; N110-D112 PolarHBondContact O-N 3.03Å | ||
| 111 | R | 74.9 | Confident | 80.7 | Confident | 166 Ų | 166 | 95.6 Ų | 95.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | trans | -82.5 | 56.1 | 179.8 | -63 | -178.7 | 67.3 | 108.5 | 8.3 | 111.5 | L109 A113 | L109-R111 PolarHBondContact O-N 3.28Å; L109-R111 VanDerWaalsContact O-N 3.15Å; R111-A113 VanDerWaalsContact C-N 3.34Å | ||
| 112 | D | 67.8 | Low | 80.3 | Confident | 151 Ų | 151 | 100 Ų | 100 | 81% | 0.807 | 52% | 0.52 | S | S | * | . | trans | -70.2 | -38.1 | 177.7 | -64.9 | -15.9 | 0 | 0 | 0 | 110.7 | N110 Q114 | N110-D112 PolarHBondContact O-N 3.03Å; D112-Q114 PolarHBondContact O-N 3.19Å | ||
| 113 | A | 69.7 | Low | 80.1 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -87.3 | 83.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | R111 I115 | R111-A113 VanDerWaalsContact C-N 3.34Å; A113-I115 PolarHBondContact O-N 3.49Å |
| 114 | Q | 68.4 | Low | 79.8 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | trans | -71.1 | 74.9 | 169 | -176.4 | 67.2 | 88 | 0 | 0 | 110.1 | D112 R116 | D112-Q114 PolarHBondContact O-N 3.19Å; Q114-R116 HydrophobicContact CG-CG 4.24Å; Q114-R116 PolarHBondContact O-N 3.32Å | ||
| 115 | I | 74.3 | Confident | 79.5 | Confident | 125 Ų | 125 | 104.7 Ų | 104.7 | 64% | 0.641 | 52% | 0.524 | S | S | * | . | trans | -71.1 | 122 | 161.4 | -57.3 | 173.9 | 0 | 0 | 0 | 105.6 | A113 | A113-I115 PolarHBondContact O-N 3.49Š| ||
| 116 | R | 71.8 | Confident | 79.3 | Confident | 165 Ų | 165 | 107.3 Ų | 107.3 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | trans | -92.2 | 115.3 | 174.6 | -76 | -74.4 | 157.4 | 86.4 | 2.6 | 107.7 | Q114 | Q114-R116 HydrophobicContact CG-CG 4.24Å; Q114-R116 PolarHBondContact O-N 3.32Å | ||
| 117 | D | 80.4 | Confident | 78.8 | Confident | 87 Ų | 87 | 109.7 Ų | 109.7 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | trans | -77.4 | 124.3 | 178.4 | -64.5 | -25 | 0 | 0 | 0 | 109.2 | W119 L120 D121 | D117-W119 PolarHBondContact O-N 2.92Å; D117-L120 HydrophobicContact CB-CB 4.5Å; D117-L120 HydrophobicContact CB-CD1 4.29Å; D117-L120 HydrophobicContact CB-CG 4.09Å; D117-L120 PolarHBondContact O-N 3.45Å; D117-D121 PolarHBondContact O-N 3.19Å | ||
| 118 | S | 83.3 | Confident | 78.1 | Confident | 95 Ų | 95 | 110 Ų | 110 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.9 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 113.4 | N122 | S118-N122 PolarHBondContact O-ND2 3.18Š|
| 119 | W | 82.7 | Confident | 77.6 | Confident | 195 Ų | 195 | 117.6 Ų | 117.6 | 74% | 0.739 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -35.4 | 171.4 | -177.9 | 41.8 | 0 | 0 | 0 | 112.9 | D117 D121 N122 | D117-W119 PolarHBondContact O-N 2.92Å; W119-D121 VanDerWaalsContact C-N 3.28Å; W119-D121 PolarHBondContact O-N 2.99Å; W119-N122 PolarHBondContact O-N 2.88Å |
| 120 | L | 79.8 | Confident | 77 | Confident | 58 Ų | 58 | 120.4 Ų | 120.4 | 30% | 0.304 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -71 | -26.1 | 177.5 | -66 | -179.5 | 0 | 0 | 0 | 112.5 | D117 N122 I123 W125 | D117-L120 HydrophobicContact CB-CB 4.5Å; D117-L120 HydrophobicContact CB-CD1 4.29Å; D117-L120 HydrophobicContact CB-CG 4.09Å; D117-L120 PolarHBondContact O-N 3.45Å; L120-N122 PolarHBondContact O-N 2.81Å; L120-I123 HydrophobicContact CD2-CD1 3.95Å; L120-I123 WeakPolarHBondContact O-CB 3.35Å; L120-I123 PolarHBondContact O-N 3.49Å; L120-I123 VanDerWaalsContact O-N 3.09Å; L120-W125 HydrophobicContact CD2-CZ2 4.24Å |
| 121 | D | 80 | Confident | 76.2 | Confident | 109 Ų | 109 | 122.5 Ų | 122.5 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -65.6 | -23.1 | 178.8 | -68.9 | -19.7 | 0 | 0 | 0 | 112.9 | D117 W119 I123 | D117-D121 PolarHBondContact O-N 3.19Å; W119-D121 VanDerWaalsContact C-N 3.28Å; W119-D121 PolarHBondContact O-N 2.99Å; D121-I123 VanDerWaalsContact C-N 3.25Å; D121-I123 PolarHBondContact O-N 3.03Å |
| 122 | N | 80.5 | Confident | 76.2 | Confident | 133 Ų | 133 | 117.8 Ų | 117.8 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -85.2 | 1.7 | 177 | -58.7 | -48 | 0 | 0 | 0 | 112.7 | S118 W119 L120 | S118-N122 PolarHBondContact O-ND2 3.18Å; W119-N122 PolarHBondContact O-N 2.88Å; L120-N122 PolarHBondContact O-N 2.81Å |
| 123 | I | 82.7 | Confident | 76 | Confident | 49 Ų | 49 | 117.4 Ų | 117.4 | 25% | 0.251 | 58% | 0.58 | S | S | . | * | trans | -102.6 | 116.9 | -176.7 | -56.8 | 179.9 | 0 | 0 | 0 | 110.4 | L120 D121 W125 I128 | L120-I123 HydrophobicContact CD2-CD1 3.95Å; L120-I123 WeakPolarHBondContact O-CB 3.35Å; L120-I123 PolarHBondContact O-N 3.49Å; L120-I123 VanDerWaalsContact O-N 3.09Å; D121-I123 VanDerWaalsContact C-N 3.25Å; D121-I123 PolarHBondContact O-N 3.03Å; I123-W125 HydrophobicContact CG2-CD2 4.46Å; I123-W125 HydrophobicContact CG2-CZ2 4.48Å; I123-W125 PolarHBondContact O-N 3.22Å; I123-I128 HydrophobicContact CG2-CD1 3.35Å | ||
| 124 | D | 79.4 | Confident | 75.9 | Confident | 90 Ų | 90 | 117.3 Ų | 117.3 | 48% | 0.481 | 59% | 0.588 | S | S | . | * | trans | -81.8 | 90.1 | 175.7 | -74.6 | -32.8 | 0 | 0 | 0 | 111.7 | V126 K127 I128 | D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 VanDerWaalsContact O-N 3.11Å; D124-K127 HydrophobicContact CB-CB 4.21Å; D124-K127 HydrophobicContact CB-CD 3.82Å; D124-K127 HydrophobicContact CB-CG 3.97Å; D124-K127 PolarHBondContact O-N 2.72Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 2.75Å; D124-K127 PolarHBondContact OD2-NZ 2.95Å; D124-I128 PolarHBondContact O-N 2.85Å | ||
| 125 | W | 79.5 | Confident | 75.6 | Confident | 159 Ų | 159 | 118.2 Ų | 118.2 | 60% | 0.602 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -56.3 | -29.2 | 179.5 | -59.3 | 98.5 | 0 | 0 | 0 | 114.6 | L120 I123 I128 R129 | L120-W125 HydrophobicContact CD2-CZ2 4.24Å; I123-W125 HydrophobicContact CG2-CD2 4.46Å; I123-W125 HydrophobicContact CG2-CZ2 4.48Å; I123-W125 PolarHBondContact O-N 3.22Å; W125-I128 HydrophobicContact CE3-CD1 4.25Å; W125-I128 PolarHBondContact O-N 3.33Å; W125-R129 WeakPolarHBondContact O-CB 3.42Å; W125-R129 PolarHBondContact O-N 2.86Å |
| 126 | V | 78.8 | Confident | 74.8 | Confident | 104 Ų | 104 | 123.4 Ų | 123.4 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -44 | 176.5 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | D124 I128 R129 E130 | D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 VanDerWaalsContact O-N 3.11Å; V126-I128 VanDerWaalsContact C-N 3.27Å; V126-I128 PolarHBondContact O-N 3.46Å; V126-R129 PolarHBondContact O-N 3.37Å; V126-E130 WeakPolarHBondContact O-CG 3.36Å; V126-E130 PolarHBondContact O-N 3.46Å |
| 127 | K | 77.7 | Confident | 74.1 | Confident | 137 Ų | 137 | 119.9 Ų | 119.9 | 60% | 0.596 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.4 | -34.3 | 178 | -66.5 | 179.9 | -176.8 | 156.7 | 0 | 111.6 | D124 R131 | D124-K127 HydrophobicContact CB-CB 4.21Å; D124-K127 HydrophobicContact CB-CD 3.82Å; D124-K127 HydrophobicContact CB-CG 3.97Å; D124-K127 PolarHBondContact O-N 2.72Å; D124-K127 VanDerWaalsContact OD2-CE 3.26Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 2.75Å; D124-K127 PolarHBondContact OD2-NZ 2.95Å; K127-R131 PolarHBondContact O-N 2.94Å |
| 128 | I | 73.6 | Confident | 72.9 | Confident | 91 Ų | 91 | 119.5 Ų | 119.5 | 47% | 0.467 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.6 | -44.4 | 176.7 | -61.1 | 173.8 | 0 | 0 | 0 | 110.6 | I123 D124 W125 V126 E130 R131 | I123-I128 HydrophobicContact CG2-CD1 3.35Å; D124-I128 PolarHBondContact O-N 2.85Å; W125-I128 HydrophobicContact CE3-CD1 4.25Å; W125-I128 PolarHBondContact O-N 3.33Å; V126-I128 VanDerWaalsContact C-N 3.27Å; V126-I128 PolarHBondContact O-N 3.46Å; I128-E130 VanDerWaalsContact C-N 3.35Å; I128-E130 PolarHBondContact O-N 3.32Å; I128-R131 PolarHBondContact O-N 3.48Å |
| 129 | R | 76.1 | Confident | 71.4 | Confident | 225 Ų | 225 | 116.7 Ų | 116.7 | 85% | 0.849 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.9 | -30.4 | -177.4 | -164.9 | 166.3 | 77.1 | 158.3 | 3.2 | 113.1 | W125 V126 R131 | W125-R129 WeakPolarHBondContact O-CB 3.42Å; W125-R129 PolarHBondContact O-N 2.86Å; V126-R129 PolarHBondContact O-N 3.37Å; R129-R131 VanDerWaalsContact C-N 3.33Å |
| 130 | E | 74.5 | Confident | 69.9 | Low | 159 Ų | 159 | 110 Ų | 110 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -80.1 | -11.4 | 174.8 | -67.8 | -156.5 | -179.9 | 0 | 0 | 113.7 | V126 I128 P132 | V126-E130 WeakPolarHBondContact O-CG 3.36Å; V126-E130 PolarHBondContact O-N 3.46Å; I128-E130 VanDerWaalsContact C-N 3.35Å; I128-E130 PolarHBondContact O-N 3.32Å; E130-P132 WeakPolarHBondContact O-CD 3.32Å |
| 131 | R | 64.7 | Low | 68.6 | Low | 104 Ų | 104 | 111.5 Ų | 111.5 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -69 | 114.3 | 173.3 | -87.7 | -178.8 | -173.9 | -174.7 | 0.4 | 109.2 | K127 I128 R129 D140 | K127-R131 PolarHBondContact O-N 2.94Å; I128-R131 PolarHBondContact O-N 3.48Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R131-D140 IonicContact CZ-OD1 3.64Å; R131-D140 IonicContact CZ-OD2 2.68Å; R131-D140 IonicContact NH1-OD1 2.73Å; R131-D140 IonicContact NH1-OD2 3.6Å; R131-D140 PolarHBondContact NH1-OD2 2.57Å; R131-D140 IonicContact NH2-OD1 3.64Å; R131-D140 PolarHBondContact NH2-OD1 2.88Å; R131-D140 IonicContact NH2-OD2 3.68Å |
| 132 | P | 73.8 | Confident | 67.2 | Low | 68 Ų | 68 | 113.1 Ų | 113.1 | 44% | 0.442 | 58% | 0.581 | S | S | . | * | trans | -65.1 | 144.6 | 179.1 | 25.2 | -31.4 | 0 | 0 | 0 | 110.8 | E130 G134 Q135 | E130-P132 WeakPolarHBondContact O-CD 3.32Å; P132-G134 PolarHBondContact O-N 2.93Å; P132-Q135 HydrophobicContact CG-CB 3.89Å; P132-Q135 PolarHBondContact O-N 3.27Å | ||
| 133 | P | 64.2 | Low | 65.8 | Low | 142 Ų | 142 | 110.9 Ų | 110.9 | 92% | 0.922 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 104.9 | 179.4 | 26.1 | -33.4 | 0 | 0 | 0 | 109.4 | ||
| 134 | G | 66.8 | Low | 64.3 | Low | 79 Ų | 79 | 116 Ų | 116 | 81% | 0.814 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.5 | -18.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P132 R136 | P132-G134 PolarHBondContact O-N 2.93Å; G134-R136 VanDerWaalsContact C-N 3.29Å; G134-R136 PolarHBondContact O-N 3.12Å |
| 135 | Q | 63.1 | Low | 63 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | trans | -94.2 | 58.9 | 174 | -154.5 | 171.5 | 51.8 | 0 | 0 | 110.2 | P132 Q137 | P132-Q135 HydrophobicContact CG-CB 3.89Å; P132-Q135 PolarHBondContact O-N 3.27Å; Q135-Q137 VanDerWaalsContact C-N 3.29Å; Q135-Q137 HydrophobicContact CG-CG 4.32Å; Q135-Q137 PolarHBondContact O-N 3.22Å; Q135-Q137 VanDerWaalsContact O-N 3.09Å | ||
| 136 | R | 57.1 | Low | 61.8 | Low | 235 Ų | 235 | 116.3 Ų | 116.3 | 89% | 0.887 | 61% | 0.611 | S | S | * | * | trans | -68.9 | 100.9 | 153.1 | -81.1 | -171.6 | 179.4 | 95.9 | 0.2 | 104.8 | G134 A138 | G134-R136 VanDerWaalsContact C-N 3.29Å; G134-R136 PolarHBondContact O-N 3.12Å; R136-A138 PolarHBondContact O-N 2.91Å; R136-A138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | Q | 57.4 | Low | 60.4 | Low | 90 Ų | 90 | 117.5 Ų | 117.5 | 42% | 0.421 | 61% | 0.613 | S | S | . | * | trans | -60.7 | 122.1 | 170 | -62.6 | -176.3 | 9.4 | 0 | 0 | 105.7 | Q135 S139 D140 | Q135-Q137 VanDerWaalsContact C-N 3.29Å; Q135-Q137 HydrophobicContact CG-CG 4.32Å; Q135-Q137 PolarHBondContact O-N 3.22Å; Q135-Q137 VanDerWaalsContact O-N 3.09Å; Q137-S139 WeakPolarHBondContact CB-OG 3Å; Q137-S139 PolarHBondContact O-N 3.47Å; Q137-S139 VanDerWaalsContact O-N 3.08Å; Q137-S139 PolarHBondContact OE1-OG 3.14Å; Q137-D140 WeakPolarHBondContact O-CB 3.36Å; Q137-D140 PolarHBondContact O-N 3.01Å | ||
| 138 | A | 54.8 | Low | 59.1 | Low | 79 Ų | 79 | 114.2 Ų | 114.2 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.3 | -18.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R136 D140 S141 | R136-A138 PolarHBondContact O-N 2.91Å; R136-A138 VanDerWaalsContact O-N 3.14Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.43Å; A138-S141 PolarHBondContact O-N 2.87Å |
| 139 | S | 52.3 | Low | 58.2 | Low | 37 Ų | 37 | 114.9 Ų | 114.9 | 26% | 0.259 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.1 | -26.7 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | Q137 S141 E142 E143 | Q137-S139 WeakPolarHBondContact CB-OG 3Å; Q137-S139 PolarHBondContact O-N 3.47Å; Q137-S139 VanDerWaalsContact O-N 3.08Å; Q137-S139 PolarHBondContact OE1-OG 3.14Å; S139-S141 PolarHBondContact O-N 3.16Å; S139-E142 CarbonylContact O-C 3.43Å; S139-E142 PolarHBondContact O-N 3.31Å; S139-E142 VanDerWaalsContact O-N 3.08Å; S139-E143 WeakPolarHBondContact CB-OE1 3.41Å; S139-E143 WeakPolarHBondContact O-CB 3.34Å; S139-E143 WeakPolarHBondContact O-CG 3.21Å; S139-E143 PolarHBondContact O-N 3.42Å; S139-E143 PolarHBondContact OG-OE1 2.95Å |
| 140 | D | 51.8 | Low | 57.3 | Low | 54 Ų | 54 | 109 Ų | 109 | 29% | 0.289 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65 | -33.8 | 177.5 | -146.5 | 47.7 | 0 | 0 | 0 | 110.7 | R131 Q137 A138 E142 E144 | R131-D140 IonicContact CZ-OD1 3.64Å; R131-D140 IonicContact CZ-OD2 2.68Å; R131-D140 IonicContact NH1-OD1 2.73Å; R131-D140 IonicContact NH1-OD2 3.6Å; R131-D140 PolarHBondContact NH1-OD2 2.57Å; R131-D140 IonicContact NH2-OD1 3.64Å; R131-D140 PolarHBondContact NH2-OD1 2.88Å; R131-D140 IonicContact NH2-OD2 3.68Å; Q137-D140 WeakPolarHBondContact O-CB 3.36Å; Q137-D140 PolarHBondContact O-N 3.01Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.43Å; D140-E142 VanDerWaalsContact C-N 3.34Å; D140-E144 PolarHBondContact O-N 3.16Å |
| 141 | S | 52.5 | Low | 56.7 | Low | 89 Ų | 89 | 105.8 Ų | 105.8 | 62% | 0.622 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.1 | -30.1 | 174.1 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | A138 S139 | A138-S141 PolarHBondContact O-N 2.87Å; S139-S141 PolarHBondContact O-N 3.16Å |
| 142 | E | 50 | Low | 57 | Low | 143 Ų | 143 | 105.1 Ų | 105.1 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -87.2 | -28 | 176.5 | -62.5 | -176 | 163 | 0 | 0 | 112.1 | S139 D140 S146 | S139-E142 CarbonylContact O-C 3.43Å; S139-E142 PolarHBondContact O-N 3.31Å; S139-E142 VanDerWaalsContact O-N 3.08Å; D140-E142 VanDerWaalsContact C-N 3.34Å; E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 2.91Å |
| 143 | E | 50.5 | Low | 57.5 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 40% | 0.402 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.5 | -43.7 | 177.5 | -75 | 176 | -141.3 | 0 | 0 | 109.8 | S139 D145 S146 L147 | S139-E143 WeakPolarHBondContact CB-OE1 3.41Å; S139-E143 WeakPolarHBondContact O-CB 3.34Å; S139-E143 WeakPolarHBondContact O-CG 3.21Å; S139-E143 PolarHBondContact O-N 3.42Å; S139-E143 PolarHBondContact OG-OE1 2.95Å; E143-D145 PolarHBondContact O-N 3.18Å; E143-S146 CarbonylContact O-C 3.55Å; E143-S146 PolarHBondContact O-N 3.29Å; E143-L147 HydrophobicContact CB-CD1 4.02Å; E143-L147 HydrophobicContact CB-CG 4Å; E143-L147 WeakPolarHBondContact O-CA 3.18Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 WeakPolarHBondContact O-CD1 3.42Å; E143-L147 WeakPolarHBondContact O-CG 3.2Å; E143-L147 PolarHBondContact O-N 3.35Å |
| 144 | E | 51.7 | Low | 58.4 | Low | 157 Ų | 157 | 100 Ų | 100 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59 | -33.9 | 175.7 | -71.6 | -148.9 | 148.3 | 0 | 0 | 113.3 | D140 S146 | D140-E144 PolarHBondContact O-N 3.16Å; E144-S146 VanDerWaalsContact C-N 3.35Å |
| 145 | D | 51.6 | Low | 59.4 | Low | 157 Ų | 157 | 99.5 Ų | 99.5 | 84% | 0.84 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78 | -17 | 174.7 | -77.3 | -24.2 | 0 | 0 | 0 | 113.6 | E143 | E143-D145 PolarHBondContact O-N 3.18Å |
| 146 | S | 53.7 | Low | 60.6 | Low | 99 Ų | 99 | 96.1 Ų | 96.1 | 69% | 0.692 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -127.9 | 6.6 | -169 | -160.9 | 0 | 0 | 0 | 0 | 114.7 | E142 E143 E144 G148 | E142-S146 WeakPolarHBondContact O-CB 3.5Å; E142-S146 PolarHBondContact O-N 2.91Å; E143-S146 CarbonylContact O-C 3.55Å; E143-S146 PolarHBondContact O-N 3.29Å; E144-S146 VanDerWaalsContact C-N 3.35Å; S146-G148 PolarHBondContact O-N 3.08Å |
| 147 | L | 50.1 | Low | 62.2 | Low | 129 Ų | 129 | 85 Ų | 85 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -75.8 | 85.6 | 179.8 | -83.4 | 163.5 | 0 | 0 | 0 | 110.5 | E143 | E143-L147 HydrophobicContact CB-CD1 4.02Å; E143-L147 HydrophobicContact CB-CG 4Å; E143-L147 WeakPolarHBondContact O-CA 3.18Å; E143-L147 WeakPolarHBondContact O-CB 3.37Å; E143-L147 WeakPolarHBondContact O-CD1 3.42Å; E143-L147 WeakPolarHBondContact O-CG 3.2Å; E143-L147 PolarHBondContact O-N 3.35Å |
| 148 | G | 50.6 | Low | 63.7 | Low | 67 Ų | 67 | 80.8 Ų | 80.8 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 108.8 | 0.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | S146 T150 | S146-G148 PolarHBondContact O-N 3.08Å; G148-T150 PolarHBondContact O-N 2.84Å |
| 149 | Q | 55.7 | Low | 65.5 | Low | 106 Ų | 106 | 82.3 Ų | 82.3 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | trans | -83.2 | 100.8 | 172.6 | -96.3 | 151.9 | 25.7 | 0 | 0 | 110.5 | S151 Q208 | Q149-S151 VanDerWaalsContact C-N 3.29Å; Q149-S151 WeakPolarHBondContact O-CA 3.45Å; Q149-S151 PolarHBondContact O-N 3.35Å; Q149-Q208 HydrophobicContact CB-CG 3.96Å; Q149-Q208 HydrophobicContact CG-CG 3.65Å | ||
| 150 | T | 55.8 | Low | 67.2 | Low | 100 Ų | 100 | 81.3 Ų | 81.3 | 61% | 0.613 | 47% | 0.471 | S | S | * | . | trans | -46.1 | 98.7 | 163.6 | 51.7 | 0 | 0 | 0 | 0 | 107.6 | G148 M152 Q208 | G148-T150 PolarHBondContact O-N 2.84Å; T150-M152 PolarHBondContact O-N 2.89Å; T150-M152 WeakPolarHBondContact OG1-CE 3.18Å; T150-Q208 PolarHBondContact O-OE1 2.87Å | ||
| 151 | S | 62 | Low | 69.1 | Low | 92 Ų | 92 | 78.7 Ų | 78.7 | 64% | 0.643 | 46% | 0.457 | S | S | * | . | trans | -77.3 | 81.3 | -165.7 | 63.1 | 0 | 0 | 0 | 0 | 108 | Q149 R212 | Q149-S151 VanDerWaalsContact C-N 3.29Å; Q149-S151 WeakPolarHBondContact O-CA 3.45Å; Q149-S151 PolarHBondContact O-N 3.35Å; S151-R212 VanDerWaalsContact CB-NH2 3.33Å; S151-R212 PolarHBondContact O-NH2 2.87Å | ||
| 152 | M | 71 | Confident | 70.9 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | trans | -51.2 | 144.3 | 176.5 | -65.2 | -66.9 | 143.6 | 0 | 0 | 109.2 | T150 A156 L157 R212 | T150-M152 PolarHBondContact O-N 2.89Å; T150-M152 WeakPolarHBondContact OG1-CE 3.18Å; M152-A156 HydrophobicContact CB-CB 4.3Å; M152-L157 HydrophobicContact CB-CD2 3.91Å; M152-L157 HydrophobicContact CB-CG 4.02Å; M152-R212 PolarHBondContact O-NH2 2.88Å | ||
| 153 | S | 85.1 | Confident | 72.8 | Confident | 63 Ų | 63 | 77 Ų | 77 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | trans | -52.4 | 147.1 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | Q155 A156 L157 | S153-Q155 PolarHBondContact O-N 2.87Å; S153-Q155 VanDerWaalsContact O-N 3.08Å; S153-A156 PolarHBondContact O-N 3.16Å; S153-A156 WeakPolarHBondContact OG-CB 3.42Å; S153-A156 PolarHBondContact OG-N 3.44Å; S153-L157 PolarHBondContact O-N 3.47Å | ||
| 154 | A | 82.4 | Confident | 74.6 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.7 | -33.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L158 L232 | A154-L158 WeakPolarHBondContact O-CD1 3.39Å; A154-L158 VanDerWaalsContact O-CG 3.31Å; A154-L158 WeakPolarHBondContact O-CG 3.39Å; A154-L158 PolarHBondContact O-N 3.19Å; A154-L158 VanDerWaalsContact O-N 3.08Å; A154-L232 HydrophobicContact CB-CD2 3.9Å |
| 155 | Q | 87.2 | Confident | 76.5 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 174.2 | -66.5 | 165.1 | -26 | 0 | 0 | 111.6 | S153 L157 L158 E159 L229 L232 | S153-Q155 PolarHBondContact O-N 2.87Å; S153-Q155 VanDerWaalsContact O-N 3.08Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.34Å; Q155-L158 WeakPolarHBondContact O-CB 3.49Å; Q155-L158 PolarHBondContact O-N 3.24Å; Q155-L158 VanDerWaalsContact O-N 3.16Å; Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 3.5Å; Q155-L229 HydrophobicContact CB-CD1 3.98Å; Q155-L229 HydrophobicContact CG-CD1 4.15Å; Q155-L232 HydrophobicContact CG-CB 4.47Å |
| 156 | A | 89.4 | Confident | 78.3 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M152 S153 G160 | M152-A156 HydrophobicContact CB-CB 4.3Å; S153-A156 PolarHBondContact O-N 3.16Å; S153-A156 WeakPolarHBondContact OG-CB 3.42Å; S153-A156 PolarHBondContact OG-N 3.44Å; A156-G160 PolarHBondContact O-N 3.2Å |
| 157 | L | 89.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 173.7 | -68.4 | 174 | 0 | 0 | 0 | 111.8 | M152 S153 Q155 G160 L161 L205 Q208 M209 | M152-L157 HydrophobicContact CB-CD2 3.91Å; M152-L157 HydrophobicContact CB-CG 4.02Å; S153-L157 PolarHBondContact O-N 3.47Å; Q155-L157 VanDerWaalsContact C-N 3.3Å; Q155-L157 PolarHBondContact O-N 3.34Å; L157-G160 PolarHBondContact O-N 3.43Å; L157-L161 WeakPolarHBondContact O-CG 3.15Å; L157-L161 PolarHBondContact O-N 3.22Å; L157-L205 HydrophobicContact CD2-CD2 3.5Å; L157-L205 VanDerWaalsContact CD2-CD2 3.5Å; L157-Q208 HydrophobicContact CD1-CB 4.07Å; L157-Q208 HydrophobicContact CD2-CB 3.85Å; L157-M209 HydrophobicContact CB-CE 3.9Å |
| 158 | L | 90.3 | Very high | 81.4 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 177.3 | -76.7 | 161.3 | 0 | 0 | 0 | 111.4 | A154 Q155 L161 L162 M209 L225 R228 L229 L232 | A154-L158 WeakPolarHBondContact O-CD1 3.39Å; A154-L158 VanDerWaalsContact O-CG 3.31Å; A154-L158 WeakPolarHBondContact O-CG 3.39Å; A154-L158 PolarHBondContact O-N 3.19Å; A154-L158 VanDerWaalsContact O-N 3.08Å; Q155-L158 WeakPolarHBondContact O-CB 3.49Å; Q155-L158 PolarHBondContact O-N 3.24Å; Q155-L158 VanDerWaalsContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 3.03Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.96Å; L158-M209 HydrophobicContact CD2-CE 3.74Å; L158-M209 HydrophobicContact CD2-SD 4.3Å; L158-M209 HydrophobicContact CG-CE 3.79Å; L158-L225 HydrophobicContact CD2-CB 4.12Å; L158-L225 HydrophobicContact CD2-CD2 3.52Å; L158-L225 HydrophobicContact CD2-CG 4.42Å; L158-R228 HydrophobicContact CD1-CG 4.18Å; L158-R228 HydrophobicContact CD2-CG 4.43Å; L158-L229 HydrophobicContact CB-CB 4.29Å; L158-L229 HydrophobicContact CB-CD1 4.08Å; L158-L229 HydrophobicContact CD1-CB 4.34Å; L158-L229 HydrophobicContact CD1-CD1 4.37Å; L158-L232 HydrophobicContact CD1-CD2 4.35Å |
| 159 | E | 91.4 | Very high | 83.2 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.2 | -73.1 | 172.6 | -172.6 | 0 | 0 | 111.7 | Q155 L161 L162 E163 L229 | Q155-E159 WeakPolarHBondContact O-CG 3.44Å; Q155-E159 PolarHBondContact O-N 3.5Å; E159-L161 PolarHBondContact O-N 3.4Å; E159-L162 PolarHBondContact O-N 3.01Å; E159-E163 PolarHBondContact O-N 3.44Å; E159-L229 HydrophobicContact CG-CD1 4.17Å; E159-L229 HydrophobicContact CG-CD2 3.61Å |
| 160 | G | 89.7 | Confident | 84.9 | Confident | 15 Ų | 15 | 63 Ų | 63 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A156 L157 L164 | A156-G160 PolarHBondContact O-N 3.2Å; L157-G160 PolarHBondContact O-N 3.43Å; G160-L164 WeakPolarHBondContact O-CG 3.17Å; G160-L164 PolarHBondContact O-N 3.47Å |
| 161 | L | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 173.1 | -75.6 | 179.5 | 0 | 0 | 0 | 111.3 | L157 L158 E159 E163 L164 L165 L202 L205 M209 L225 | L157-L161 WeakPolarHBondContact O-CG 3.15Å; L157-L161 PolarHBondContact O-N 3.22Å; L158-L161 PolarHBondContact O-N 3.03Å; E159-L161 PolarHBondContact O-N 3.4Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.21Å; L161-L164 PolarHBondContact O-N 2.9Å; L161-L165 HydrophobicContact CB-CD1 4.41Å; L161-L165 WeakPolarHBondContact O-CD1 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.97Å; L161-L165 VanDerWaalsContact O-N 3.16Å; L161-L202 HydrophobicContact CD2-CD1 3.55Å; L161-L205 HydrophobicContact CD2-CB 3.84Å; L161-L205 HydrophobicContact CG-CB 4.2Å; L161-M209 HydrophobicContact CD1-CE 3.28Å; L161-M209 HydrophobicContact CD1-SD 3.63Å; L161-M209 HydrophobicContact CG-CE 4.31Å; L161-L225 HydrophobicContact CB-CD1 4.21Å; L161-L225 HydrophobicContact CD1-CD1 4.33Å; L161-L225 HydrophobicContact CD1-CD2 4.26Å |
| 162 | L | 89.8 | Confident | 87.8 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -35.8 | -179.3 | -74.7 | 169.9 | 0 | 0 | 0 | 112.9 | L158 E159 L164 R222 L225 A226 L229 | L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 2.96Å; E159-L162 PolarHBondContact O-N 3.01Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 3.33Å; L162-R222 HydrophobicContact CD2-CB 4.47Å; L162-R222 HydrophobicContact CD2-CG 3.57Å; L162-R222 WeakPolarHBondContact CD2-O 3.44Å; L162-L225 HydrophobicContact CD2-CB 3.82Å; L162-L225 HydrophobicContact CG-CB 4.23Å; L162-A226 HydrophobicContact CD1-CB 4.23Å; L162-A226 HydrophobicContact CD2-CB 3.98Å; L162-L229 HydrophobicContact CD1-CB 4.44Å; L162-L229 HydrophobicContact CD1-CD2 3.72Å |
| 163 | E | 90.2 | Very high | 88.7 | Confident | 169 Ų | 169 | 51.9 Ų | 51.9 | 79% | 0.79 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.2 | -34.1 | 176.5 | -168.4 | -175.6 | 163.3 | 0 | 0 | 112.3 | E159 L161 | E159-E163 PolarHBondContact O-N 3.44Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.21Å |
| 164 | L | 88.5 | Confident | 88.8 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -87.4 | -17.3 | -176.4 | -63.4 | 175.9 | 0 | 0 | 0 | 113.8 | G160 L161 L162 R198 R201 L202 L205 | G160-L164 WeakPolarHBondContact O-CG 3.17Å; G160-L164 PolarHBondContact O-N 3.47Å; L161-L164 PolarHBondContact O-N 2.9Å; L162-L164 VanDerWaalsContact C-N 3.3Å; L162-L164 PolarHBondContact O-N 3.33Å; L164-R198 HydrophobicContact CD2-CB 4.44Å; L164-R198 HydrophobicContact CD2-CG 4.1Å; L164-R201 HydrophobicContact CD1-CB 4.25Å; L164-L202 HydrophobicContact CB-CD1 4.09Å; L164-L202 HydrophobicContact CD1-CB 4.01Å; L164-L202 HydrophobicContact CD1-CD1 4.2Å; L164-L205 HydrophobicContact CD1-CD1 4.13Å |
| 165 | L | 91.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 137.5 | -175.8 | -71 | 168.1 | 0 | 0 | 0 | 113.5 | L161 V171 A174 R222 L225 | L161-L165 HydrophobicContact CB-CD1 4.41Å; L161-L165 WeakPolarHBondContact O-CD1 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.97Å; L161-L165 VanDerWaalsContact O-N 3.16Å; L165-V171 HydrophobicContact CD1-CG2 3.98Å; L165-V171 HydrophobicContact CD2-CG2 4.19Å; L165-A174 HydrophobicContact CD2-CB 3.41Å; L165-A174 VanDerWaalsContact CD2-CB 3.41Å; L165-R222 HydrophobicContact CB-CB 4.16Å; L165-R222 HydrophobicContact CB-CG 4.33Å; L165-R222 HydrophobicContact CD1-CB 4.5Å; L165-L225 HydrophobicContact CD1-CD1 3.27Å |
| 166 | L | 88.5 | Confident | 89.1 | Confident | 83 Ų | 83 | 54.4 Ų | 54.4 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 161 | 170.1 | -70.4 | 161.7 | 0 | 0 | 0 | 111.7 | R168 E169 | L166-R168 PolarHBondContact O-N 3Å; L166-E169 HydrophobicContact CB-CB 4.01Å; L166-E169 VanDerWaalsContact CB-OE2 3.32Å; L166-E169 WeakPolarHBondContact CB-OE2 3.39Å; L166-E169 PolarHBondContact N-OE2 3.12Å; L166-E169 WeakPolarHBondContact O-CB 3.45Å; L166-E169 PolarHBondContact O-N 2.99Å |
| 167 | P | 86.9 | Confident | 88.9 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 56% | 0.558 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 135.2 | 172.6 | -24 | 34.4 | 0 | 0 | 0 | 111.9 | E169 | P167-E169 PolarHBondContact O-N 3.39Š|
| 168 | R | 83.9 | Confident | 88.6 | Confident | 220 Ų | 220 | 58.4 Ų | 58.4 | 83% | 0.83 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 11.6 | -178.3 | -56 | -178 | 64.9 | -175.2 | 0.6 | 115.9 | L166 | L166-R168 PolarHBondContact O-N 3Š|
| 169 | E | 88.4 | Confident | 88 | Confident | 28 Ų | 28 | 60 Ų | 60 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | trans | -86.8 | 148.1 | 175.6 | -163.8 | 177.3 | -149.5 | 0 | 0 | 110.6 | L166 P167 G173 A174 R177 T221 R222 | L166-E169 HydrophobicContact CB-CB 4.01Å; L166-E169 VanDerWaalsContact CB-OE2 3.32Å; L166-E169 WeakPolarHBondContact CB-OE2 3.39Å; L166-E169 PolarHBondContact N-OE2 3.12Å; L166-E169 WeakPolarHBondContact O-CB 3.45Å; L166-E169 PolarHBondContact O-N 2.99Å; P167-E169 PolarHBondContact O-N 3.39Å; E169-G173 VanDerWaalsContact OE1-C 3.3Å; E169-A174 HydrophobicContact CG-CB 4.35Å; E169-A174 VanDerWaalsContact OE1-CA 3.29Å; E169-A174 WeakPolarHBondContact OE1-CA 3.47Å; E169-A174 PolarHBondContact OE1-N 2.72Å; E169-R177 IonicContact OE1-CZ 3.37Å; E169-R177 IonicContact OE1-NE 3.69Å; E169-R177 PolarHBondContact OE1-NE 2.82Å; E169-R177 IonicContact OE1-NH2 2.9Å; E169-R177 IonicContact OE2-CZ 3.5Å; E169-R177 IonicContact OE2-NE 3.42Å; E169-R177 PolarHBondContact OE2-NE 3.28Å; E169-R177 IonicContact OE2-NH2 3.98Å; E169-R177 PolarHBondContact OE2-NH2 2.94Å; E169-T221 WeakPolarHBondContact O-CA 3.46Å; E169-R222 PolarHBondContact O-N 2.79Å; E169-R222 VanDerWaalsContact O-N 3.12Å | ||
| 170 | T | 91.5 | Very high | 86.9 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 157.4 | 169.9 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | A172 G173 A174 E220 T221 | T170-A172 VanDerWaalsContact C-N 3.27Å; T170-A172 PolarHBondContact O-N 3.08Å; T170-G173 CarbonylContact O-C 3.41Å; T170-G173 WeakPolarHBondContact O-CA 3.44Å; T170-G173 PolarHBondContact O-N 3.02Å; T170-G173 PolarHBondContact OG1-N 3.46Å; T170-G173 VanDerWaalsContact OG1-N 3.09Å; T170-A174 PolarHBondContact O-N 2.87Å; T170-E220 WeakPolarHBondContact CA-O 3.21Å; T170-T221 HydrophobicContact CG2-CG2 3.87Å |
| 171 | V | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.9 | -42.2 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L165 G173 A174 L175 A206 V217 Y218 E220 L225 | L165-V171 HydrophobicContact CD1-CG2 3.98Å; L165-V171 HydrophobicContact CD2-CG2 4.19Å; V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 2.64Å; V171-A174 PolarHBondContact O-N 2.89Å; V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 2.9Å; V171-A206 HydrophobicContact CG1-CB 4.2Å; V171-V217 WeakPolarHBondContact CB-O 3.38Å; V171-V217 WeakPolarHBondContact CG2-O 3.35Å; V171-Y218 HydrophobicContact CG1-CD1 4.18Å; V171-E220 PolarHBondContact N-O 2.84Å; V171-L225 HydrophobicContact CG2-CD1 4.08Å |
| 172 | A | 89.8 | Confident | 83.1 | Confident | 29 Ų | 29 | 71.2 Ų | 71.2 | 24% | 0.24 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T170 R176 Y218 | T170-A172 VanDerWaalsContact C-N 3.27Å; T170-A172 PolarHBondContact O-N 3.08Å; A172-R176 VanDerWaalsContact O-CB 3.3Å; A172-R176 WeakPolarHBondContact O-CB 3.23Å; A172-R176 PolarHBondContact O-N 2.98Å; A172-Y218 WeakPolarHBondContact CB-O 3.31Å; A172-Y218 PolarHBondContact N-O 3.02Å |
| 173 | G | 89.2 | Confident | 80.9 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | E169 T170 V171 R176 R177 | E169-G173 VanDerWaalsContact OE1-C 3.3Å; T170-G173 CarbonylContact O-C 3.41Å; T170-G173 WeakPolarHBondContact O-CA 3.44Å; T170-G173 PolarHBondContact O-N 3.02Å; T170-G173 PolarHBondContact OG1-N 3.46Å; T170-G173 VanDerWaalsContact OG1-N 3.09Å; V171-G173 VanDerWaalsContact C-N 3.32Å; V171-G173 PolarHBondContact O-N 2.64Å; G173-R176 WeakPolarHBondContact O-CB 3.14Å; G173-R176 PolarHBondContact O-N 2.99Å; G173-R177 WeakPolarHBondContact O-CB 3.22Å; G173-R177 PolarHBondContact O-N 2.75Å |
| 174 | A | 87.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L165 E169 T170 V171 R176 R177 L178 L202 | L165-A174 HydrophobicContact CD2-CB 3.41Å; L165-A174 VanDerWaalsContact CD2-CB 3.41Å; E169-A174 HydrophobicContact CG-CB 4.35Å; E169-A174 VanDerWaalsContact OE1-CA 3.29Å; E169-A174 WeakPolarHBondContact OE1-CA 3.47Å; E169-A174 PolarHBondContact OE1-N 2.72Å; T170-A174 PolarHBondContact O-N 2.87Å; V171-A174 PolarHBondContact O-N 2.89Å; A174-R176 VanDerWaalsContact C-N 3.31Å; A174-R176 PolarHBondContact O-N 3.38Å; A174-R177 PolarHBondContact O-N 3.25Å; A174-L178 VanDerWaalsContact O-CB 3.3Å; A174-L178 WeakPolarHBondContact O-CB 3.42Å; A174-L178 VanDerWaalsContact O-CG 3.29Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.29Å; A174-L202 HydrophobicContact CB-CD2 3.65Å |
| 175 | L | 89 | Confident | 76.5 | Confident | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 171.9 | -74.7 | 168.5 | 0 | 0 | 0 | 111.3 | V171 G179 L199 L202 Y218 | V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 2.9Å; L175-G179 VanDerWaalsContact O-CA 3.27Å; L175-G179 WeakPolarHBondContact O-CA 3.21Å; L175-G179 PolarHBondContact O-N 3.49Å; L175-L199 HydrophobicContact CD2-CD2 4.11Å; L175-L202 HydrophobicContact CD2-CB 4.27Å; L175-L202 HydrophobicContact CD2-CD2 3.76Å; L175-L202 HydrophobicContact CD2-CG 3.99Å; L175-L202 HydrophobicContact CG-CD2 3.73Å; L175-L202 HydrophobicContact CG-CG 4.21Å; L175-Y218 HydrophobicContact CD1-CD1 3.83Å; L175-Y218 HydrophobicContact CD1-CE1 3.56Å |
| 176 | R | 87 | Confident | 74.2 | Confident | 186 Ų | 186 | 80.9 Ų | 80.9 | 70% | 0.702 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 176.1 | -172.5 | -177.5 | -53.3 | -82.2 | -5.9 | 112.2 | A172 G173 A174 A180 | A172-R176 VanDerWaalsContact O-CB 3.3Å; A172-R176 WeakPolarHBondContact O-CB 3.23Å; A172-R176 PolarHBondContact O-N 2.98Å; G173-R176 WeakPolarHBondContact O-CB 3.14Å; G173-R176 PolarHBondContact O-N 2.99Å; A174-R176 VanDerWaalsContact C-N 3.31Å; A174-R176 PolarHBondContact O-N 3.38Å; R176-A180 WeakPolarHBondContact O-CA 3.38Å; R176-A180 WeakPolarHBondContact O-CB 3.43Å; R176-A180 PolarHBondContact O-N 3.3Å |
| 177 | R | 84.7 | Confident | 72.1 | Confident | 100 Ų | 100 | 88.7 Ų | 88.7 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 179.6 | 172.3 | 177.8 | 53.1 | 85.5 | -7.5 | 111.8 | E169 G173 A174 | E169-R177 IonicContact OE1-CZ 3.37Å; E169-R177 IonicContact OE1-NE 3.69Å; E169-R177 PolarHBondContact OE1-NE 2.82Å; E169-R177 IonicContact OE1-NH2 2.9Å; E169-R177 IonicContact OE2-CZ 3.5Å; E169-R177 IonicContact OE2-NE 3.42Å; E169-R177 PolarHBondContact OE2-NE 3.28Å; E169-R177 IonicContact OE2-NH2 3.98Å; E169-R177 PolarHBondContact OE2-NH2 2.94Å; G173-R177 WeakPolarHBondContact O-CB 3.22Å; G173-R177 PolarHBondContact O-N 2.75Å; A174-R177 PolarHBondContact O-N 3.25Å |
| 178 | L | 82.4 | Confident | 70 | Confident | 20 Ų | 20 | 95 Ų | 95 | 11% | 0.105 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -74.4 | -33.8 | -179.5 | -68.4 | 170.9 | 0 | 0 | 0 | 111.2 | A174 R198 L199 L202 | A174-L178 VanDerWaalsContact O-CB 3.3Å; A174-L178 WeakPolarHBondContact O-CB 3.42Å; A174-L178 VanDerWaalsContact O-CG 3.29Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.29Å; L178-R198 HydrophobicContact CD1-CB 4.17Å; L178-R198 HydrophobicContact CD2-CB 4.37Å; L178-L199 HydrophobicContact CB-CD1 4.36Å; L178-L199 HydrophobicContact CB-CD2 3.21Å; L178-L199 HydrophobicContact CB-CG 3.54Å; L178-L199 HydrophobicContact CD1-CD2 4.25Å; L178-L199 HydrophobicContact CG-CD2 4.37Å; L178-L199 WeakPolarHBondContact O-CD1 3.45Å; L178-L202 HydrophobicContact CD1-CD2 4.02Å |
| 179 | G | 77.6 | Confident | 68 | Low | 37 Ų | 37 | 86.7 Ų | 86.7 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -96.4 | -0.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L175 R181 | L175-G179 VanDerWaalsContact O-CA 3.27Å; L175-G179 WeakPolarHBondContact O-CA 3.21Å; L175-G179 PolarHBondContact O-N 3.49Å; G179-R181 PolarHBondContact O-N 3.24Å |
| 180 | A | 68.7 | Low | 65.9 | Low | 76 Ų | 76 | 91.7 Ų | 91.7 | 63% | 0.628 | 53% | 0.531 | S | S | * | . | trans | -66.7 | 75.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R176 | R176-A180 WeakPolarHBondContact O-CA 3.38Å; R176-A180 WeakPolarHBondContact O-CB 3.43Å; R176-A180 PolarHBondContact O-N 3.3Å | ||
| 181 | R | 54.4 | Low | 63.7 | Low | 209 Ų | 209 | 91.5 Ų | 91.5 | 79% | 0.789 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -108.6 | -7.2 | 167.7 | -90.6 | -177.7 | 147 | -151.5 | -5 | 113.6 | G179 | G179-R181 PolarHBondContact O-N 3.24Š|
| 182 | G | 46.9 | Very low | 61.6 | Low | 77 Ų | 77 | 96.6 Ų | 96.6 | 79% | 0.794 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -138.3 | -10.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | G184 | G182-G184 PolarHBondContact O-N 2.93Š|
| 183 | G | 44.1 | Very low | 59.5 | Low | 89 Ų | 89 | 100.9 Ų | 100.9 | 92% | 0.918 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -88.4 | 4.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 184 | G | 43.8 | Very low | 57.9 | Low | 63 Ų | 63 | 101.8 Ų | 101.8 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -162.6 | 123.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G182 G186 | G182-G184 PolarHBondContact O-N 2.93Å; G184-G186 PolarHBondContact O-N 3.09Å; G184-G186 VanDerWaalsContact O-N 3.07Å |
| 185 | K | 42.6 | Very low | 57.1 | Low | 221 Ų | 221 | 102.6 Ų | 102.6 | 96% | 0.961 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -39.7 | 111.2 | 174.4 | -77.1 | 168.3 | 166.5 | 167.5 | 0 | 111.8 | ||
| 186 | G | 42 | Very low | 56.8 | Low | 67 Ų | 67 | 103.9 Ų | 103.9 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 94.1 | 86.1 | 161 | 0 | 0 | 0 | 0 | 0 | 114.7 | G184 | G184-G186 PolarHBondContact O-N 3.09Å; G184-G186 VanDerWaalsContact O-N 3.07Å |
| 187 | R | 44 | Very low | 56.8 | Low | 248 Ų | 248 | 100.8 Ų | 100.8 | 94% | 0.936 | 60% | 0.601 | S | S | * | * | 178.6 | 91.4 | 127.2 | -94.9 | 159.3 | 179.1 | -159.8 | -0.7 | 107.5 | G189 | R187-G189 PolarHBondContact O-N 3.17Š| |||
| 188 | K | 44.2 | Very low | 56.9 | Low | 218 Ų | 218 | 100.2 Ų | 100.2 | 95% | 0.948 | 60% | 0.599 | S | S | * | * | trans | -66.6 | 67.4 | 157.3 | -75.6 | -177 | 174.8 | 178.8 | 0 | 108 | ||||
| 189 | G | 41 | Very low | 57.2 | Low | 45 Ų | 45 | 101.2 Ų | 101.2 | 46% | 0.464 | 60% | 0.604 | S | S | . | * | trans | -74.8 | 135.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | R187 G191 | R187-G189 PolarHBondContact O-N 3.17Å; G189-G191 PolarHBondContact O-N 2.99Å | ||
| 190 | P | 44 | Very low | 57.8 | Low | 133 Ų | 133 | 105 Ų | 105 | 86% | 0.864 | 62% | 0.616 | S | S | * | * | trans | -69.8 | 69.2 | 163.9 | 30.6 | -30.9 | 0 | 0 | 0 | 107.5 | Q192 | P190-Q192 PolarHBondContact O-N 3.19Š| ||
| 191 | G | 45.9 | Very low | 58.8 | Low | 44 Ų | 44 | 109 Ų | 109 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | trans | -79.6 | 85.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G189 S195 | G189-G191 PolarHBondContact O-N 2.99Å; G191-S195 PolarHBondContact O-OG 3.11Å | ||
| 192 | Q | 45.1 | Very low | 60.6 | Low | 108 Ų | 108 | 99 Ų | 99 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | trans | 56.5 | 109.6 | 161.6 | -160 | -169.1 | -10.6 | 0 | 0 | 116 | P190 S194 S195 | P190-Q192 PolarHBondContact O-N 3.19Å; Q192-S194 PolarHBondContact O-N 3.21Å; Q192-S195 PolarHBondContact O-N 3.08Å; Q192-S195 PolarHBondContact O-OG 3.19Å | ||
| 193 | P | 46 | Very low | 62.6 | Low | 119 Ų | 119 | 97 Ų | 97 | 77% | 0.773 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -11.3 | 178.9 | 26.3 | -35.4 | 0 | 0 | 0 | 114.4 | P196 | P193-P196 VanDerWaalsContact O-CD 3.25Å; P193-P196 WeakPolarHBondContact O-CD 3.21Å; P193-P196 VanDerWaalsContact O-CG 3.27Å; P193-P196 WeakPolarHBondContact O-CG 3.33Å |
| 194 | S | 54.2 | Low | 64.9 | Low | 38 Ų | 38 | 93.8 Ų | 93.8 | 27% | 0.266 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.5 | -15.7 | 175.5 | -167.6 | 0 | 0 | 0 | 0 | 113.4 | Q192 R198 | Q192-S194 PolarHBondContact O-N 3.21Å; S194-R198 WeakPolarHBondContact O-CB 3.41Å; S194-R198 VanDerWaalsContact O-CG 3.23Å; S194-R198 WeakPolarHBondContact O-CG 3.35Å; S194-R198 PolarHBondContact O-N 2.75Å; S194-R198 PolarHBondContact O-NE 3.15Å; S194-R198 PolarHBondContact OG-NE 3.28Å; S194-R198 PolarHBondContact OG-NH2 3.24Å |
| 195 | S | 71.1 | Confident | 67.2 | Low | 17 Ų | 17 | 92.1 Ų | 92.1 | 12% | 0.119 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 176.4 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | G191 Q192 Q197 R198 L199 | G191-S195 PolarHBondContact O-OG 3.11Å; Q192-S195 PolarHBondContact O-N 3.08Å; Q192-S195 PolarHBondContact O-OG 3.19Å; S195-Q197 PolarHBondContact O-N 3.08Å; S195-R198 PolarHBondContact O-N 3.28Å; S195-L199 WeakPolarHBondContact O-CG 3.32Å; S195-L199 PolarHBondContact O-N 3.31Å |
| 196 | P | 83.8 | Confident | 69.4 | Low | 67 Ų | 67 | 81.6 Ų | 81.6 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 179.5 | 25.4 | -36.8 | 0 | 0 | 0 | 113.3 | P193 R198 L199 D200 | P193-P196 VanDerWaalsContact O-CD 3.25Å; P193-P196 WeakPolarHBondContact O-CD 3.21Å; P193-P196 VanDerWaalsContact O-CG 3.27Å; P193-P196 WeakPolarHBondContact O-CG 3.33Å; P196-R198 VanDerWaalsContact C-N 3.33Å; P196-R198 PolarHBondContact O-N 3.38Å; P196-L199 WeakPolarHBondContact O-CB 3.28Å; P196-L199 PolarHBondContact O-N 3.31Å; P196-D200 WeakPolarHBondContact O-CB 3.46Å; P196-D200 PolarHBondContact O-N 3.39Å |
| 197 | Q | 87.3 | Confident | 71.7 | Confident | 121 Ų | 121 | 81.7 Ų | 81.7 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.4 | -35.9 | 177.4 | -68.9 | -179.3 | -8.4 | 0 | 0 | 112.1 | S195 R201 | S195-Q197 PolarHBondContact O-N 3.08Å; Q197-R201 WeakPolarHBondContact O-CB 3.29Å; Q197-R201 WeakPolarHBondContact O-CG 3.49Å; Q197-R201 PolarHBondContact O-N 2.85Å |
| 198 | R | 86.5 | Confident | 73.9 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 173.9 | -75.7 | -175.3 | -125.2 | -168.1 | -9.8 | 112.2 | L164 L178 S194 S195 P196 L202 | L164-R198 HydrophobicContact CD2-CB 4.44Å; L164-R198 HydrophobicContact CD2-CG 4.1Å; L178-R198 HydrophobicContact CD1-CB 4.17Å; L178-R198 HydrophobicContact CD2-CB 4.37Å; S194-R198 WeakPolarHBondContact O-CB 3.41Å; S194-R198 VanDerWaalsContact O-CG 3.23Å; S194-R198 WeakPolarHBondContact O-CG 3.35Å; S194-R198 PolarHBondContact O-N 2.75Å; S194-R198 PolarHBondContact O-NE 3.15Å; S194-R198 PolarHBondContact OG-NE 3.28Å; S194-R198 PolarHBondContact OG-NH2 3.24Å; S195-R198 PolarHBondContact O-N 3.28Å; P196-R198 VanDerWaalsContact C-N 3.33Å; P196-R198 PolarHBondContact O-N 3.38Å; R198-L202 WeakPolarHBondContact O-CB 3.48Å; R198-L202 PolarHBondContact O-N 3.33Å |
| 199 | L | 89.1 | Confident | 76 | Confident | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -53.9 | 172.6 | -80.5 | 172.6 | 0 | 0 | 0 | 111.3 | L175 L178 S195 P196 R201 L202 S203 | L175-L199 HydrophobicContact CD2-CD2 4.11Å; L178-L199 HydrophobicContact CB-CD1 4.36Å; L178-L199 HydrophobicContact CB-CD2 3.21Å; L178-L199 HydrophobicContact CB-CG 3.54Å; L178-L199 HydrophobicContact CD1-CD2 4.25Å; L178-L199 HydrophobicContact CG-CD2 4.37Å; L178-L199 WeakPolarHBondContact O-CD1 3.45Å; S195-L199 WeakPolarHBondContact O-CG 3.32Å; S195-L199 PolarHBondContact O-N 3.31Å; P196-L199 WeakPolarHBondContact O-CB 3.28Å; P196-L199 PolarHBondContact O-N 3.31Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 2.92Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L199-S203 PolarHBondContact O-N 3.23Å; L199-S203 PolarHBondContact O-OG 3.13Å |
| 200 | D | 89.2 | Confident | 78.3 | Confident | 118 Ų | 118 | 61 Ų | 61 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.1 | -41.5 | -177.9 | -174.2 | 53.9 | 0 | 0 | 0 | 111.6 | P196 S203 G204 | P196-D200 WeakPolarHBondContact O-CB 3.46Å; P196-D200 PolarHBondContact O-N 3.39Å; D200-S203 WeakPolarHBondContact CA-OG 3.19Å; D200-S203 PolarHBondContact O-OG 2.89Å; D200-G204 PolarHBondContact O-N 3.32Å |
| 201 | R | 90.2 | Very high | 80.4 | Confident | 159 Ų | 159 | 58.5 Ų | 58.5 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 172.4 | -70.9 | 175.3 | -172.9 | -172.9 | 2.1 | 112.6 | L164 Q197 L199 L205 | L164-R201 HydrophobicContact CD1-CB 4.25Å; Q197-R201 WeakPolarHBondContact O-CB 3.29Å; Q197-R201 WeakPolarHBondContact O-CG 3.49Å; Q197-R201 PolarHBondContact O-N 2.85Å; L199-R201 VanDerWaalsContact C-N 3.3Å; L199-R201 PolarHBondContact O-N 2.92Å; R201-L205 WeakPolarHBondContact O-CB 3.27Å; R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å |
| 202 | L | 91.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.8 | -44.2 | -179.8 | -177.6 | 66.4 | 0 | 0 | 0 | 111.4 | L161 L164 A174 L175 L178 R198 L199 L205 A206 | L161-L202 HydrophobicContact CD2-CD1 3.55Å; L164-L202 HydrophobicContact CB-CD1 4.09Å; L164-L202 HydrophobicContact CD1-CB 4.01Å; L164-L202 HydrophobicContact CD1-CD1 4.2Å; A174-L202 HydrophobicContact CB-CD2 3.65Å; L175-L202 HydrophobicContact CD2-CB 4.27Å; L175-L202 HydrophobicContact CD2-CD2 3.76Å; L175-L202 HydrophobicContact CD2-CG 3.99Å; L175-L202 HydrophobicContact CG-CD2 3.73Å; L175-L202 HydrophobicContact CG-CG 4.21Å; L178-L202 HydrophobicContact CD1-CD2 4.02Å; R198-L202 WeakPolarHBondContact O-CB 3.48Å; R198-L202 PolarHBondContact O-N 3.33Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L202-L205 PolarHBondContact O-N 3.48Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.25Å; L202-A206 PolarHBondContact O-N 2.98Å |
| 203 | S | 89.5 | Confident | 84.1 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | L199 D200 L205 A206 D207 | L199-S203 PolarHBondContact O-N 3.23Å; L199-S203 PolarHBondContact O-OG 3.13Å; D200-S203 WeakPolarHBondContact CA-OG 3.19Å; D200-S203 PolarHBondContact O-OG 2.89Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 3.49Å; S203-A206 PolarHBondContact O-N 2.91Å; S203-A206 VanDerWaalsContact O-N 3.08Å; S203-D207 WeakPolarHBondContact O-CB 3.3Å; S203-D207 PolarHBondContact O-N 2.98Å |
| 204 | G | 91.7 | Very high | 85.9 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | D200 Q208 | D200-G204 PolarHBondContact O-N 3.32Å; G204-Q208 VanDerWaalsContact O-CG 3.28Å; G204-Q208 WeakPolarHBondContact O-CG 3.42Å; G204-Q208 PolarHBondContact O-N 3.03Å; G204-Q208 PolarHBondContact O-NE2 3.28Å |
| 205 | L | 91.3 | Very high | 87.4 | Confident | 29 Ų | 29 | 60 Ų | 60 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.5 | -38.6 | 172.8 | -72.1 | 173.1 | 0 | 0 | 0 | 112.2 | L157 L161 L164 R201 L202 S203 M209 | L157-L205 HydrophobicContact CD2-CD2 3.5Å; L157-L205 VanDerWaalsContact CD2-CD2 3.5Å; L161-L205 HydrophobicContact CD2-CB 3.84Å; L161-L205 HydrophobicContact CG-CB 4.2Å; L164-L205 HydrophobicContact CD1-CD1 4.13Å; R201-L205 WeakPolarHBondContact O-CB 3.27Å; R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å; L202-L205 PolarHBondContact O-N 3.48Å; S203-L205 VanDerWaalsContact C-N 3.31Å; S203-L205 PolarHBondContact O-N 3.49Å; L205-M209 PolarHBondContact O-N 2.91Å; L205-M209 VanDerWaalsContact O-N 3.11Å |
| 206 | A | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V171 L202 S203 Q208 M209 V210 V217 Y218 | V171-A206 HydrophobicContact CG1-CB 4.2Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.25Å; L202-A206 PolarHBondContact O-N 2.98Å; S203-A206 PolarHBondContact O-N 2.91Å; S203-A206 VanDerWaalsContact O-N 3.08Å; A206-Q208 PolarHBondContact O-N 2.81Å; A206-M209 CarbonylContact O-C 3.46Å; A206-M209 WeakPolarHBondContact O-CA 3.39Å; A206-M209 WeakPolarHBondContact O-CB 3.46Å; A206-M209 PolarHBondContact O-N 3.4Å; A206-V210 WeakPolarHBondContact O-CG2 3.29Å; A206-V210 PolarHBondContact O-N 3.04Å; A206-V217 HydrophobicContact CB-CG2 4.42Å; A206-Y218 HydrophobicContact CB-CE1 4.17Å |
| 207 | D | 90.1 | Very high | 88.6 | Confident | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 178.3 | -66.2 | -25.1 | 0 | 0 | 0 | 111.3 | S203 M209 V210 A211 Y218 | S203-D207 WeakPolarHBondContact O-CB 3.3Å; S203-D207 PolarHBondContact O-N 2.98Å; D207-M209 PolarHBondContact O-N 3.31Å; D207-V210 PolarHBondContact O-N 3.22Å; D207-V210 VanDerWaalsContact O-N 3.15Å; D207-A211 WeakPolarHBondContact O-CB 3.21Å; D207-A211 PolarHBondContact O-N 2.96Å; D207-Y218 PolarHBondContact OD1-OH 2.89Å |
| 208 | Q | 90 | Very high | 88.8 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 172.4 | -78 | 175.5 | 73 | 0 | 0 | 112.8 | Q149 T150 L157 G204 A206 R212 | Q149-Q208 HydrophobicContact CB-CG 3.96Å; Q149-Q208 HydrophobicContact CG-CG 3.65Å; T150-Q208 PolarHBondContact O-OE1 2.87Å; L157-Q208 HydrophobicContact CD1-CB 4.07Å; L157-Q208 HydrophobicContact CD2-CB 3.85Å; G204-Q208 VanDerWaalsContact O-CG 3.28Å; G204-Q208 WeakPolarHBondContact O-CG 3.42Å; G204-Q208 PolarHBondContact O-N 3.03Å; G204-Q208 PolarHBondContact O-NE2 3.28Å; A206-Q208 PolarHBondContact O-N 2.81Å; Q208-R212 WeakPolarHBondContact O-CG 3.37Å; Q208-R212 PolarHBondContact O-N 3.07Å |
| 209 | M | 87.2 | Confident | 89.1 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.034 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.2 | -39.2 | 176.5 | -162.7 | 172.1 | -73.1 | 0 | 0 | 111.1 | L157 L158 L161 L205 A206 D207 R212 N214 V217 L225 | L157-M209 HydrophobicContact CB-CE 3.9Å; L158-M209 HydrophobicContact CD2-CE 3.74Å; L158-M209 HydrophobicContact CD2-SD 4.3Å; L158-M209 HydrophobicContact CG-CE 3.79Å; L161-M209 HydrophobicContact CD1-CE 3.28Å; L161-M209 HydrophobicContact CD1-SD 3.63Å; L161-M209 HydrophobicContact CG-CE 4.31Å; L205-M209 PolarHBondContact O-N 2.91Å; L205-M209 VanDerWaalsContact O-N 3.11Å; A206-M209 CarbonylContact O-C 3.46Å; A206-M209 WeakPolarHBondContact O-CA 3.39Å; A206-M209 WeakPolarHBondContact O-CB 3.46Å; A206-M209 PolarHBondContact O-N 3.4Å; D207-M209 PolarHBondContact O-N 3.31Å; M209-R212 PolarHBondContact O-N 2.81Å; M209-N214 HydrophobicContact CG-CB 3.86Å; M209-N214 VanDerWaalsContact O-CB 3.29Å; M209-N214 WeakPolarHBondContact O-CB 3.35Å; M209-N214 PolarHBondContact O-N 3.46Å; M209-V217 HydrophobicContact CB-CG1 3.73Å; M209-V217 HydrophobicContact CG-CB 4.49Å; M209-V217 HydrophobicContact CG-CG1 3.34Å; M209-V217 HydrophobicContact SD-CB 4.3Å; M209-V217 HydrophobicContact SD-CG1 3.44Å; M209-V217 WeakPolarHBondContact SD-CG1 3.4Å; M209-L225 HydrophobicContact SD-CD2 4.21Å |
| 210 | V | 90 | Very high | 89.2 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 171.7 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | A206 D207 R212 G213 N214 L215 V217 Y218 | A206-V210 WeakPolarHBondContact O-CG2 3.29Å; A206-V210 PolarHBondContact O-N 3.04Å; D207-V210 PolarHBondContact O-N 3.22Å; D207-V210 VanDerWaalsContact O-N 3.15Å; V210-R212 PolarHBondContact O-N 3.25Å; V210-R212 VanDerWaalsContact O-N 3.13Å; V210-G213 WeakPolarHBondContact O-CA 3.45Å; V210-G213 PolarHBondContact O-N 2.98Å; V210-N214 WeakPolarHBondContact CA-O 3.3Å; V210-L215 HydrophobicContact CG1-CD2 4.31Å; V210-V217 HydrophobicContact CG2-CG2 3.42Å; V210-V217 VanDerWaalsContact CG2-CG2 3.42Å; V210-Y218 HydrophobicContact CG2-CE2 3.97Å |
| 211 | A | 87.8 | Confident | 89.3 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 67% | 0.669 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.2 | -28.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | D207 G213 | D207-A211 WeakPolarHBondContact O-CB 3.21Å; D207-A211 PolarHBondContact O-N 2.96Å; A211-G213 PolarHBondContact O-N 2.93Å |
| 212 | R | 83.3 | Confident | 89.3 | Confident | 112 Ų | 112 | 49.9 Ų | 49.9 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -2.8 | 174.8 | -71 | 177.9 | 177 | -75.6 | -0.2 | 114.4 | S151 M152 Q208 M209 V210 | S151-R212 VanDerWaalsContact CB-NH2 3.33Å; S151-R212 PolarHBondContact O-NH2 2.87Å; M152-R212 PolarHBondContact O-NH2 2.88Å; Q208-R212 WeakPolarHBondContact O-CG 3.37Å; Q208-R212 PolarHBondContact O-N 3.07Å; M209-R212 PolarHBondContact O-N 2.81Å; V210-R212 PolarHBondContact O-N 3.25Å; V210-R212 VanDerWaalsContact O-N 3.13Å |
| 213 | G | 86 | Confident | 89.3 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 59% | 0.588 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.3 | 3.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V210 A211 L215 | V210-G213 WeakPolarHBondContact O-CA 3.45Å; V210-G213 PolarHBondContact O-N 2.98Å; A211-G213 PolarHBondContact O-N 2.93Å; G213-L215 PolarHBondContact O-N 3.43Å |
| 214 | N | 83.4 | Confident | 89.3 | Confident | 31 Ų | 31 | 60 Ų | 60 | 17% | 0.166 | 32% | 0.322 | C | S | . | . | trans | -88.5 | 85.7 | 176.2 | -69.1 | 64.8 | 0 | 0 | 0 | 111.3 | M209 V210 G216 V217 R228 | M209-N214 HydrophobicContact CG-CB 3.86Å; M209-N214 VanDerWaalsContact O-CB 3.29Å; M209-N214 WeakPolarHBondContact O-CB 3.35Å; M209-N214 PolarHBondContact O-N 3.46Å; V210-N214 WeakPolarHBondContact CA-O 3.3Å; N214-G216 VanDerWaalsContact C-N 3.28Å; N214-G216 PolarHBondContact O-N 2.94Å; N214-V217 HydrophobicContact CB-CG1 3.47Å; N214-V217 VanDerWaalsContact CB-CG1 3.47Å; N214-V217 WeakPolarHBondContact O-CG1 3.47Å; N214-R228 PolarHBondContact ND2-NH1 2.89Å; N214-R228 PolarHBondContact ND2-NH2 3.43Å | ||
| 215 | L | 86.9 | Confident | 89.2 | Confident | 142 Ų | 142 | 59 Ų | 59 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.4 | -178.6 | -59.4 | 170.4 | 0 | 0 | 0 | 113.3 | V210 G213 V217 | V210-L215 HydrophobicContact CG1-CD2 4.31Å; G213-L215 PolarHBondContact O-N 3.43Å; L215-V217 PolarHBondContact O-N 2.81Å |
| 216 | G | 89.8 | Confident | 89.1 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 10.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | N214 Y218 Q219 E220 | N214-G216 VanDerWaalsContact C-N 3.28Å; N214-G216 PolarHBondContact O-N 2.94Å; G216-Y218 PolarHBondContact O-N 3.03Å; G216-Q219 PolarHBondContact O-N 3.26Å; G216-Q219 VanDerWaalsContact O-N 3.08Å; G216-E220 PolarHBondContact O-N 3.49Å |
| 217 | V | 89.3 | Confident | 89.1 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -59.4 | -34.3 | -170.8 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | V171 A206 M209 V210 N214 L215 Q219 E220 | V171-V217 WeakPolarHBondContact CB-O 3.38Å; V171-V217 WeakPolarHBondContact CG2-O 3.35Å; A206-V217 HydrophobicContact CB-CG2 4.42Å; M209-V217 HydrophobicContact CB-CG1 3.73Å; M209-V217 HydrophobicContact CG-CB 4.49Å; M209-V217 HydrophobicContact CG-CG1 3.34Å; M209-V217 HydrophobicContact SD-CB 4.3Å; M209-V217 HydrophobicContact SD-CG1 3.44Å; M209-V217 WeakPolarHBondContact SD-CG1 3.4Å; V210-V217 HydrophobicContact CG2-CG2 3.42Å; V210-V217 VanDerWaalsContact CG2-CG2 3.42Å; N214-V217 HydrophobicContact CB-CG1 3.47Å; N214-V217 VanDerWaalsContact CB-CG1 3.47Å; N214-V217 WeakPolarHBondContact O-CG1 3.47Å; L215-V217 PolarHBondContact O-N 2.81Å; V217-Q219 PolarHBondContact O-N 3.04Å; V217-E220 PolarHBondContact O-N 2.87Å |
| 218 | Y | 92.4 | Very high | 88.9 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -64.3 | -27.8 | -179.6 | -69.5 | -71.2 | 0 | 0 | 0 | 113.1 | V171 A172 L175 A206 D207 V210 G216 | V171-Y218 HydrophobicContact CG1-CD1 4.18Å; A172-Y218 WeakPolarHBondContact CB-O 3.31Å; A172-Y218 PolarHBondContact N-O 3.02Å; L175-Y218 HydrophobicContact CD1-CD1 3.83Å; L175-Y218 HydrophobicContact CD1-CE1 3.56Å; A206-Y218 HydrophobicContact CB-CE1 4.17Å; D207-Y218 PolarHBondContact OD1-OH 2.89Å; V210-Y218 HydrophobicContact CG2-CE2 3.97Å; G216-Y218 PolarHBondContact O-N 3.03Å |
| 219 | Q | 92.2 | Very high | 88.7 | Confident | 132 Ų | 132 | 68 Ų | 68 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -97.5 | -8.5 | 179.2 | -71.2 | 71 | 53.9 | 0 | 0 | 113 | G216 V217 T221 | G216-Q219 PolarHBondContact O-N 3.26Å; G216-Q219 VanDerWaalsContact O-N 3.08Å; V217-Q219 PolarHBondContact O-N 3.04Å; Q219-T221 PolarHBondContact O-N 2.99Å |
| 220 | E | 90.8 | Very high | 88.8 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | trans | -68.4 | 134.4 | 177.5 | -66.6 | -139.2 | 137.6 | 0 | 0 | 110.9 | T170 V171 G216 V217 R224 L225 | T170-E220 WeakPolarHBondContact CA-O 3.21Å; V171-E220 PolarHBondContact N-O 2.84Å; G216-E220 PolarHBondContact O-N 3.49Å; V217-E220 PolarHBondContact O-N 2.87Å; E220-R224 WeakPolarHBondContact OE1-CD 3.44Å; E220-R224 IonicContact OE1-CZ 3.05Å; E220-R224 IonicContact OE1-NE 3.84Å; E220-R224 PolarHBondContact OE1-NE 2.72Å; E220-L225 HydrophobicContact CB-CD2 4.04Å; E220-L225 HydrophobicContact CB-CG 4Å; E220-L225 WeakPolarHBondContact OE2-CD2 3.48Å | ||
| 221 | T | 91.9 | Very high | 88.4 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -82.5 | 156.5 | 172.1 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | E169 T170 Q219 E223 R224 L225 | E169-T221 WeakPolarHBondContact O-CA 3.46Å; T170-T221 HydrophobicContact CG2-CG2 3.87Å; Q219-T221 PolarHBondContact O-N 2.99Å; T221-E223 PolarHBondContact O-N 3.19Å; T221-R224 WeakPolarHBondContact O-CB 3.45Å; T221-R224 PolarHBondContact O-N 3.2Å; T221-R224 WeakPolarHBondContact OG1-CB 3.45Å; T221-R224 PolarHBondContact OG1-N 2.7Å; T221-L225 PolarHBondContact O-N 2.89Å |
| 222 | R | 89.5 | Confident | 87.7 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -47.5 | -44.8 | 172 | -178.1 | -172.2 | 158.9 | 160.9 | -7 | 112.7 | L162 L165 E169 R224 L225 A226 | L162-R222 HydrophobicContact CD2-CB 4.47Å; L162-R222 HydrophobicContact CD2-CG 3.57Å; L162-R222 WeakPolarHBondContact CD2-O 3.44Å; L165-R222 HydrophobicContact CB-CB 4.16Å; L165-R222 HydrophobicContact CB-CG 4.33Å; L165-R222 HydrophobicContact CD1-CB 4.5Å; E169-R222 PolarHBondContact O-N 2.79Å; E169-R222 VanDerWaalsContact O-N 3.12Å; R222-R224 VanDerWaalsContact C-N 3.31Å; R222-R224 PolarHBondContact O-N 2.72Å; R222-L225 PolarHBondContact O-N 3.02Å; R222-A226 WeakPolarHBondContact O-CB 3.27Å; R222-A226 PolarHBondContact O-N 2.91Å |
| 223 | E | 91.5 | Very high | 86.7 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | -178.8 | -49.7 | -50.4 | 155.7 | 0 | 0 | 112.2 | T221 A226 M227 | T221-E223 PolarHBondContact O-N 3.19Å; E223-A226 PolarHBondContact O-N 3.18Å; E223-M227 WeakPolarHBondContact O-CB 3.3Å; E223-M227 WeakPolarHBondContact O-CG 3.37Å; E223-M227 PolarHBondContact O-N 2.7Å |
| 224 | R | 90.3 | Very high | 85.1 | Confident | 155 Ų | 155 | 70.6 Ų | 70.6 | 59% | 0.585 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.1 | -41.1 | 176.6 | -170.8 | 168.8 | 177.2 | 114.4 | -0.1 | 111.6 | E220 T221 R222 A226 M227 R228 | E220-R224 WeakPolarHBondContact OE1-CD 3.44Å; E220-R224 IonicContact OE1-CZ 3.05Å; E220-R224 IonicContact OE1-NE 3.84Å; E220-R224 PolarHBondContact OE1-NE 2.72Å; T221-R224 WeakPolarHBondContact O-CB 3.45Å; T221-R224 PolarHBondContact O-N 3.2Å; T221-R224 WeakPolarHBondContact OG1-CB 3.45Å; T221-R224 PolarHBondContact OG1-N 2.7Å; R222-R224 VanDerWaalsContact C-N 3.31Å; R222-R224 PolarHBondContact O-N 2.72Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-M227 PolarHBondContact O-N 3.08Å; R224-R228 VanDerWaalsContact O-CB 3.29Å; R224-R228 WeakPolarHBondContact O-CB 3.09Å; R224-R228 PolarHBondContact O-N 2.8Å |
| 225 | L | 89.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 173.5 | -66.8 | 166.1 | 0 | 0 | 0 | 111.6 | L158 L161 L162 L165 V171 M209 E220 T221 R222 R228 L229 | L158-L225 HydrophobicContact CD2-CB 4.12Å; L158-L225 HydrophobicContact CD2-CD2 3.52Å; L158-L225 HydrophobicContact CD2-CG 4.42Å; L161-L225 HydrophobicContact CB-CD1 4.21Å; L161-L225 HydrophobicContact CD1-CD1 4.33Å; L161-L225 HydrophobicContact CD1-CD2 4.26Å; L162-L225 HydrophobicContact CD2-CB 3.82Å; L162-L225 HydrophobicContact CG-CB 4.23Å; L165-L225 HydrophobicContact CD1-CD1 3.27Å; V171-L225 HydrophobicContact CG2-CD1 4.08Å; M209-L225 HydrophobicContact SD-CD2 4.21Å; E220-L225 HydrophobicContact CB-CD2 4.04Å; E220-L225 HydrophobicContact CB-CG 4Å; E220-L225 WeakPolarHBondContact OE2-CD2 3.48Å; T221-L225 PolarHBondContact O-N 2.89Å; R222-L225 PolarHBondContact O-N 3.02Å; L225-R228 WeakPolarHBondContact O-CB 3.14Å; L225-R228 PolarHBondContact O-N 3.07Å; L225-L229 WeakPolarHBondContact O-CB 2.98Å; L225-L229 PolarHBondContact O-N 3.05Å |
| 226 | A | 89.5 | Confident | 81.6 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 28% | 0.281 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L162 R222 E223 R224 R228 L229 K230 | L162-A226 HydrophobicContact CD1-CB 4.23Å; L162-A226 HydrophobicContact CD2-CB 3.98Å; R222-A226 WeakPolarHBondContact O-CB 3.27Å; R222-A226 PolarHBondContact O-N 2.91Å; E223-A226 PolarHBondContact O-N 3.18Å; R224-A226 VanDerWaalsContact C-N 3.33Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 3.33Å; A226-L229 PolarHBondContact O-N 3.29Å; A226-K230 PolarHBondContact O-N 3.49Å |
| 227 | M | 88.6 | Confident | 79.3 | Confident | 148 Ų | 148 | 78.7 Ų | 78.7 | 73% | 0.729 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | 172 | -77.2 | -175.9 | 157.6 | 0 | 0 | 111.4 | E223 R224 K230 G231 | E223-M227 WeakPolarHBondContact O-CB 3.3Å; E223-M227 WeakPolarHBondContact O-CG 3.37Å; E223-M227 PolarHBondContact O-N 2.7Å; R224-M227 PolarHBondContact O-N 3.08Å; M227-K230 PolarHBondContact O-N 3.08Å; M227-G231 PolarHBondContact O-N 3.34Å |
| 228 | R | 87.3 | Confident | 76.8 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176 | -175.4 | 176.5 | -173.3 | 123.7 | 9.1 | 111.9 | L158 N214 R224 L225 A226 K230 G231 L232 | L158-R228 HydrophobicContact CD1-CG 4.18Å; L158-R228 HydrophobicContact CD2-CG 4.43Å; N214-R228 PolarHBondContact ND2-NH1 2.89Å; N214-R228 PolarHBondContact ND2-NH2 3.43Å; R224-R228 VanDerWaalsContact O-CB 3.29Å; R224-R228 WeakPolarHBondContact O-CB 3.09Å; R224-R228 PolarHBondContact O-N 2.8Å; L225-R228 WeakPolarHBondContact O-CB 3.14Å; L225-R228 PolarHBondContact O-N 3.07Å; A226-R228 VanDerWaalsContact C-N 3.29Å; A226-R228 PolarHBondContact O-N 3.33Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 3.09Å; R228-G231 PolarHBondContact O-N 3.14Å; R228-G231 VanDerWaalsContact O-N 3.16Å; R228-L232 HydrophobicContact CG-CD1 3.84Å; R228-L232 WeakPolarHBondContact O-CD1 3.21Å; R228-L232 PolarHBondContact O-N 3.18Å |
| 229 | L | 86.3 | Confident | 74.5 | Confident | 35 Ų | 35 | 84 Ų | 84 | 18% | 0.183 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 175.4 | 179.8 | 63.3 | 0 | 0 | 0 | 111.1 | Q155 L158 E159 L162 L225 A226 G231 L232 G233 | Q155-L229 HydrophobicContact CB-CD1 3.98Å; Q155-L229 HydrophobicContact CG-CD1 4.15Å; L158-L229 HydrophobicContact CB-CB 4.29Å; L158-L229 HydrophobicContact CB-CD1 4.08Å; L158-L229 HydrophobicContact CD1-CB 4.34Å; L158-L229 HydrophobicContact CD1-CD1 4.37Å; E159-L229 HydrophobicContact CG-CD1 4.17Å; E159-L229 HydrophobicContact CG-CD2 3.61Å; L162-L229 HydrophobicContact CD1-CB 4.44Å; L162-L229 HydrophobicContact CD1-CD2 3.72Å; L225-L229 WeakPolarHBondContact O-CB 2.98Å; L225-L229 PolarHBondContact O-N 3.05Å; A226-L229 PolarHBondContact O-N 3.29Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-G231 PolarHBondContact O-N 3.4Å; L229-L232 PolarHBondContact O-N 2.73Å; L229-G233 PolarHBondContact O-N 2.89Å |
| 230 | K | 87.7 | Confident | 72 | Confident | 167 Ų | 167 | 86.5 Ų | 86.5 | 73% | 0.726 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 174.1 | -169 | -174.5 | 179.3 | -161.6 | 0 | 111.4 | A226 M227 R228 L232 G233 C234 | A226-K230 PolarHBondContact O-N 3.49Å; M227-K230 PolarHBondContact O-N 3.08Å; R228-K230 VanDerWaalsContact C-N 3.32Å; R228-K230 PolarHBondContact O-N 3.09Å; K230-L232 PolarHBondContact O-N 2.96Å; K230-G233 PolarHBondContact O-N 3.48Å; K230-C234 PolarHBondContact O-N 3.09Å; K230-C234 PolarHBondContact O-SG 3.41Å |
| 231 | G | 82.4 | Confident | 69.4 | Low | 27 Ų | 27 | 92.2 Ų | 92.2 | 28% | 0.278 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | M227 R228 L229 C234 | M227-G231 PolarHBondContact O-N 3.34Å; R228-G231 PolarHBondContact O-N 3.14Å; R228-G231 VanDerWaalsContact O-N 3.16Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-G231 PolarHBondContact O-N 3.4Å; G231-C234 WeakPolarHBondContact CA-SG 3.48Å; G231-C234 PolarHBondContact O-SG 3.28Å |
| 232 | L | 73.1 | Confident | 67 | Low | 53 Ų | 53 | 94.8 Ų | 94.8 | 28% | 0.277 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 173.5 | -89.4 | 76.7 | 0 | 0 | 0 | 111.8 | A154 Q155 L158 R228 L229 K230 Q235 | A154-L232 HydrophobicContact CB-CD2 3.9Å; Q155-L232 HydrophobicContact CG-CB 4.47Å; L158-L232 HydrophobicContact CD1-CD2 4.35Å; R228-L232 HydrophobicContact CG-CD1 3.84Å; R228-L232 WeakPolarHBondContact O-CD1 3.21Å; R228-L232 PolarHBondContact O-N 3.18Å; L229-L232 PolarHBondContact O-N 2.73Å; K230-L232 PolarHBondContact O-N 2.96Å; L232-Q235 PolarHBondContact O-N 3.43Å |
| 233 | G | 61.8 | Low | 64.6 | Low | 21 Ų | 21 | 96.4 Ų | 96.4 | 22% | 0.216 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L229 K230 Q235 L237 | L229-G233 PolarHBondContact O-N 2.89Å; K230-G233 PolarHBondContact O-N 3.48Å; G233-Q235 VanDerWaalsContact C-N 3.33Å; G233-L237 WeakPolarHBondContact O-CG 3.18Å; G233-L237 PolarHBondContact O-N 2.68Å |
| 234 | C | 51.8 | Low | 62.4 | Low | 87 Ų | 87 | 97.1 Ų | 97.1 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.6 | -22.4 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | K230 G231 | K230-C234 PolarHBondContact O-N 3.09Å; K230-C234 PolarHBondContact O-SG 3.41Å; G231-C234 WeakPolarHBondContact CA-SG 3.48Å; G231-C234 PolarHBondContact O-SG 3.28Å |
| 235 | Q | 50.9 | Low | 60.2 | Low | 172 Ų | 172 | 95.4 Ų | 95.4 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75 | -29.1 | 178.8 | -127.2 | 161.3 | 98.9 | 0 | 0 | 113.2 | L232 G233 | L232-Q235 PolarHBondContact O-N 3.43Å; G233-Q235 VanDerWaalsContact C-N 3.33Å |
| 236 | T | 45.9 | Very low | 58.5 | Low | 99 Ų | 99 | 100 Ų | 100 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -99.2 | -17.4 | -178.7 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | G238 | T236-G238 PolarHBondContact O-N 3.25Å |
| 237 | L | 42.5 | Very low | 57.1 | Low | 112 Ų | 112 | 103.9 Ų | 103.9 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | trans | -95 | 78 | 175.2 | -59.3 | -176.5 | 0 | 0 | 0 | 109.8 | G233 | G233-L237 WeakPolarHBondContact O-CG 3.18Å; G233-L237 PolarHBondContact O-N 2.68Å | ||
| 238 | G | 36.9 | Very low | 55.7 | Low | 54 Ų | 54 | 102.6 Ų | 102.6 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | trans | -44.3 | 148.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110 | T236 H240 | T236-G238 PolarHBondContact O-N 3.25Å; G238-H240 PolarHBondContact O-N 3.04Å | ||
| 239 | P | 44.4 | Very low | 54.8 | Low | 129 Ų | 129 | 102.7 Ų | 102.7 | 84% | 0.838 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -67.3 | 89.4 | -145 | 26.9 | -35.6 | 0 | 0 | 0 | 112.3 | ||
| 240 | H | 38.5 | Very low | 54 | Low | 183 Ų | 183 | 108.8 Ų | 108.8 | 85% | 0.847 | 64% | 0.635 | S | S | * | * | trans | -149.4 | 64.8 | 167.1 | -113.2 | -73.3 | 0 | 0 | 0 | 110.1 | G238 | G238-H240 PolarHBondContact O-N 3.04Š| ||
| 241 | N | 36.4 | Very low | 52.9 | Low | 138 Ų | 138 | 109 Ų | 109 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -142 | 129.3 | 147.7 | -144.4 | 8.5 | 0 | 0 | 0 | 108 | T243 | N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 VanDerWaalsContact O-N 3.15Å |
| 242 | P | 43 | Very low | 52.4 | Low | 102 Ų | 102 | 109.4 Ų | 109.4 | 66% | 0.662 | 64% | 0.637 | S | S | * | * | trans | -74.5 | 112.7 | -170.8 | 30.2 | -27.8 | 0 | 0 | 0 | 109.5 | ||||
| 243 | T | 38.5 | Very low | 51.8 | Low | 123 Ų | 123 | 116.6 Ų | 116.6 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | trans | 53.3 | 84 | 140.7 | 60.7 | 0 | 0 | 0 | 0 | 118 | N241 | N241-T243 PolarHBondContact O-N 2.9Å; N241-T243 VanDerWaalsContact O-N 3.15Å | ||
| 244 | P | 45.8 | Very low | 51.7 | Low | 107 Ų | 107 | 124.3 Ų | 124.3 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | S | Bend | -75.1 | 147.3 | 113.6 | 5.3 | 13.5 | 0 | 0 | 0 | 108.7 | |||
| 245 | P | 44.5 | Very low | 51.5 | Low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132.6 | -173.4 | 23.3 | -33 | 0 | 0 | 0 | 109.4 | S247 | P245-S247 PolarHBondContact O-N 3.45Š|
| 246 | P | 53.9 | Low | 51.7 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 119.2 | 178.5 | 23.7 | -32.5 | 0 | 0 | 0 | 106.7 | L248 | P246-L248 PolarHBondContact O-N 3.11Š|
| 247 | S | 58.4 | Low | 52.2 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | trans | -62.5 | 95.4 | 163.4 | 49.9 | 0 | 0 | 0 | 0 | 104.7 | P245 D249 | P245-S247 PolarHBondContact O-N 3.45Å; S247-D249 PolarHBondContact O-N 3.18Å | ||
| 248 | L | 60.7 | Low | 52.8 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 64% | 0.639 | 70% | 0.7 | S | S | * | * | trans | -49.1 | 104.7 | 176.7 | -176.7 | 67.4 | 0 | 0 | 0 | 106.6 | P246 M250 L255 | P246-L248 PolarHBondContact O-N 3.11Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.33Å; L248-L255 HydrophobicContact CD1-CD2 3.64Å | ||
| 249 | D | 67.3 | Low | 53.6 | Low | 96 Ų | 96 | 130.5 Ų | 130.5 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | trans | -69.7 | 99 | 178.9 | -179.6 | 3.4 | 0 | 0 | 0 | 106.5 | S247 F251 A252 | S247-D249 PolarHBondContact O-N 3.18Å; D249-F251 PolarHBondContact O-N 3.04Å; D249-F251 PolarHBondContact OD1-N 3.49Å; D249-F251 VanDerWaalsContact OD1-N 3.12Å; D249-A252 HydrophobicContact CB-CB 3.73Å; D249-A252 WeakPolarHBondContact O-CB 3.2Å; D249-A252 PolarHBondContact O-N 3Å; D249-A252 PolarHBondContact OD1-N 3.3Å | ||
| 250 | M | 69.3 | Low | 53.9 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 80% | 0.803 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -14.4 | -177.8 | -174 | 170.5 | 58.8 | 0 | 0 | 112.7 | L248 | L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.33Å |
| 251 | F | 64.6 | Low | 54.1 | Low | 170 Ų | 170 | 129.2 Ų | 129.2 | 75% | 0.746 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -2.8 | 175.1 | -61.9 | -79.9 | 0 | 0 | 0 | 113.6 | D249 E253 | D249-F251 PolarHBondContact O-N 3.04Å; D249-F251 PolarHBondContact OD1-N 3.49Å; D249-F251 VanDerWaalsContact OD1-N 3.12Å; F251-E253 PolarHBondContact O-N 3.39Å |
| 252 | A | 71.5 | Confident | 54.3 | Low | 36 Ų | 36 | 128.2 Ų | 128.2 | 30% | 0.298 | 69% | 0.693 | S | S | . | * | trans | -70.8 | 116.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | D249 E254 | D249-A252 HydrophobicContact CB-CB 3.73Å; D249-A252 WeakPolarHBondContact O-CB 3.2Å; D249-A252 PolarHBondContact O-N 3Å; D249-A252 PolarHBondContact OD1-N 3.3Å; A252-E254 PolarHBondContact O-N 2.88Å | ||
| 253 | E | 61.7 | Low | 54.1 | Low | 204 Ų | 204 | 129.2 Ų | 129.2 | 95% | 0.953 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -70.5 | -7.6 | 175.6 | -52.3 | -162.7 | -178.8 | 0 | 0 | 112.2 | F251 L255 | F251-E253 PolarHBondContact O-N 3.39Å; E253-L255 PolarHBondContact O-N 3.25Å |
| 254 | E | 58.4 | Low | 53.9 | Low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | trans | -98.5 | 66.3 | 177.2 | -162.3 | 172.4 | -169.6 | 0 | 0 | 110.2 | A252 A256 | A252-E254 PolarHBondContact O-N 2.88Å; E254-A256 PolarHBondContact O-N 3.32Å | ||
| 255 | L | 48.5 | Very low | 53.5 | Low | 98 Ų | 98 | 130.2 Ų | 130.2 | 51% | 0.513 | 71% | 0.706 | S | S | . | * | trans | -76.3 | 112.1 | 162.7 | -75.1 | 167.9 | 0 | 0 | 0 | 107.4 | L248 E253 E257 | L248-L255 HydrophobicContact CD1-CD2 3.64Å; E253-L255 PolarHBondContact O-N 3.25Å; L255-E257 PolarHBondContact O-N 3.4Å | ||
| 256 | A | 55.5 | Low | 53 | Low | 58 Ų | 58 | 129.4 Ų | 129.4 | 48% | 0.479 | 70% | 0.699 | S | S | . | * | trans | -59.7 | 112 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | E254 E258 E259 | E254-A256 PolarHBondContact O-N 3.32Å; A256-E258 PolarHBondContact O-N 2.92Å; A256-E259 PolarHBondContact O-N 3.38Å | ||
| 257 | E | 56.1 | Low | 52.2 | Low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -53.9 | -21.4 | -178.5 | -63.6 | 175.2 | 159.7 | 0 | 0 | 112.5 | L255 L260 | L255-E257 PolarHBondContact O-N 3.4Å; E257-L260 WeakPolarHBondContact O-CB 3.44Å; E257-L260 PolarHBondContact O-N 3.02Å |
| 258 | E | 55.2 | Low | 51.2 | Low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -66.9 | -30.3 | 176.5 | -57.3 | -94.8 | 138.4 | 0 | 0 | 113.6 | A256 L260 | A256-E258 PolarHBondContact O-N 2.92Å; E258-L260 VanDerWaalsContact C-N 3.3Å |
| 259 | E | 52.8 | Low | 49.8 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -82.8 | -8.9 | 176.4 | -81.1 | -167.7 | 131.6 | 0 | 0 | 113.1 | A256 E261 | A256-E259 PolarHBondContact O-N 3.38Å; E259-E261 VanDerWaalsContact C-N 3.28Å |
| 260 | L | 50.7 | Low | 48 | Very low | 117 Ų | 117 | 142 Ų | 142 | 61% | 0.613 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -83.3 | -0.8 | 173.9 | -102.6 | 153.2 | 0 | 0 | 0 | 113.2 | E257 E258 T262 | E257-L260 WeakPolarHBondContact O-CB 3.44Å; E257-L260 PolarHBondContact O-N 3.02Å; E258-L260 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 3.06Å |
| 261 | E | 43.3 | Very low | 46.3 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -73.2 | 79.4 | 169.8 | -65.5 | -138.6 | 147.7 | 0 | 0 | 110.6 | E259 P263 | E259-E261 VanDerWaalsContact C-N 3.28Å; E261-P263 WeakPolarHBondContact O-CD 3.35Å; E261-P263 VanDerWaalsContact O-N 3.15Å | ||
| 262 | T | 39.9 | Very low | 44.7 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | trans | -47.2 | 119 | 165.3 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | L260 T264 | L260-T262 PolarHBondContact O-N 3.06Å; T262-T264 PolarHBondContact O-N 2.79Å | ||
| 263 | P | 40.4 | Very low | 43 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 115.4 | -173.2 | 21.3 | -30.5 | 0 | 0 | 0 | 109.5 | E261 | E261-P263 WeakPolarHBondContact O-CD 3.35Å; E261-P263 VanDerWaalsContact O-N 3.15Å | ||
| 264 | T | 34 | Very low | 41.7 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | -46.6 | 124.1 | 174 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | T262 T266 | T262-T264 PolarHBondContact O-N 2.79Å; T264-T266 PolarHBondContact O-N 3.21Å | ||
| 265 | P | 37 | Very low | 40.7 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -77.6 | 86.8 | -174.4 | 30.3 | -32.7 | 0 | 0 | 0 | 109.5 | ||||
| 266 | T | 34.1 | Very low | 40.5 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | trans | -103.5 | 104.5 | 170.6 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | T264 | T264-T266 PolarHBondContact O-N 3.21Š| ||
| 267 | Q | 37.3 | Very low | 40 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 71.2 | 89.7 | 152 | -62.6 | 176.9 | 61.5 | 0 | 0 | 118.6 | ||||
| 268 | R | 35.7 | Very low | 39.9 | Very low | 256 Ų | 256 | 141.6 Ų | 141.6 | 97% | 0.966 | 78% | 0.778 | S | S | * | * | trans | -162.3 | 96.3 | 135.3 | -103.3 | 171.7 | -174.4 | -159.4 | 1.6 | 105 | ||||
| 269 | G | 31.4 | Very low | 40.2 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | 85.6 | 81.5 | 78.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 270 | E | 30.1 | Very low | 41.1 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | 51.1 | 74.9 | 146.1 | -60.2 | 170.5 | 171 | 0 | 0 | 116.9 | ||||
| 271 | A | 34.3 | Very low | 42.7 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -130.9 | 91.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S273 | A271-S273 PolarHBondContact O-N 3.14Š| ||
| 272 | E | 30.6 | Very low | 44.8 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 93% | 0.925 | 73% | 0.726 | S | S | * | * | trans | -67.7 | 67.3 | 171.9 | -62.2 | 179.7 | 136.7 | 0 | 0 | 110.1 | R274 | E272-R274 PolarHBondContact O-N 2.76Š| ||
| 273 | S | 36.4 | Very low | 47.3 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -89.7 | 75.3 | 157.8 | 69.4 | 0 | 0 | 0 | 0 | 108.3 | A271 G275 | A271-S273 PolarHBondContact O-N 3.14Å; S273-G275 PolarHBondContact O-N 3.26Å | ||
| 274 | R | 34.5 | Very low | 49.8 | Very low | 240 Ų | 240 | 118.7 Ų | 118.7 | 91% | 0.906 | 66% | 0.662 | S | S | * | * | trans | -24.7 | 119.4 | 155.1 | -176.3 | 175.4 | 177 | 171 | -2 | 113 | E272 | E272-R274 PolarHBondContact O-N 2.76Š| ||
| 275 | G | 37.1 | Very low | 52.5 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | trans | 40.4 | 117.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S273 | S273-G275 PolarHBondContact O-N 3.26Š| ||
| 276 | D | 44.1 | Very low | 55.1 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | -148.5 | 132.3 | 66.2 | -143.8 | 9.4 | 0 | 0 | 0 | 107.6 | L278 | D276-L278 VanDerWaalsContact C-N 3.3Å; D276-L278 PolarHBondContact O-N 3.24Å | |||
| 277 | G | 45.4 | Very low | 57.8 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | trans | -58.4 | 106.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | V279 | G277-V279 PolarHBondContact O-N 2.97Š| ||
| 278 | L | 54.1 | Low | 60.1 | Low | 162 Ų | 162 | 106.9 Ų | 106.9 | 85% | 0.848 | 57% | 0.574 | S | S | * | * | trans | -65.4 | 73.8 | 168.3 | -62.1 | 174.8 | 0 | 0 | 0 | 105.6 | D276 D280 | D276-L278 VanDerWaalsContact C-N 3.3Å; D276-L278 PolarHBondContact O-N 3.24Å; L278-D280 VanDerWaalsContact C-N 3.3Å; L278-D280 PolarHBondContact O-N 2.74Å | ||
| 279 | V | 60.2 | Low | 62.3 | Low | 100 Ų | 100 | 98.7 Ų | 98.7 | 61% | 0.606 | 55% | 0.549 | S | S | * | . | trans | -60.8 | 105 | 167 | -71 | 0 | 0 | 0 | 0 | 103 | G277 V281 | G277-V279 PolarHBondContact O-N 2.97Å; V279-V281 VanDerWaalsContact C-N 3.26Å; V279-V281 HydrophobicContact CG2-CG2 4.21Å; V279-V281 VanDerWaalsContact O-CG2 3.26Å; V279-V281 WeakPolarHBondContact O-CG2 3.34Å; V279-V281 PolarHBondContact O-N 3.15Å | ||
| 280 | D | 72.2 | Confident | 64.9 | Low | 121 Ų | 121 | 98.2 Ų | 98.2 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | trans | -57 | 98.3 | 176.9 | -118.5 | -20.1 | 0 | 0 | 0 | 106.3 | L278 M282 | L278-D280 VanDerWaalsContact C-N 3.3Å; L278-D280 PolarHBondContact O-N 2.74Å; D280-M282 PolarHBondContact O-N 3.42Å | ||
| 281 | V | 83.8 | Confident | 67 | Low | 21 Ų | 21 | 93.2 Ų | 93.2 | 13% | 0.127 | 53% | 0.533 | C | S | . | . | trans | -73.4 | 106.5 | -173.4 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | V279 W283 K321 Y340 | V279-V281 VanDerWaalsContact C-N 3.26Å; V279-V281 HydrophobicContact CG2-CG2 4.21Å; V279-V281 VanDerWaalsContact O-CG2 3.26Å; V279-V281 WeakPolarHBondContact O-CG2 3.34Å; V279-V281 PolarHBondContact O-N 3.15Å; V281-W283 HydrophobicContact CG1-CZ2 3.95Å; V281-W283 PolarHBondContact O-NE1 2.94Å; V281-K321 HydrophobicContact CG1-CB 4.15Å; V281-K321 HydrophobicContact CG1-CD 3.6Å; V281-K321 HydrophobicContact CG1-CG 3.67Å; V281-Y340 HydrophobicContact CB-CD1 4.08Å; V281-Y340 HydrophobicContact CB-CG 4.45Å; V281-Y340 HydrophobicContact CG1-CD1 4.22Å; V281-Y340 HydrophobicContact CG2-CD1 3.59Å; V281-Y340 HydrophobicContact CG2-CE1 4.23Å; V281-Y340 HydrophobicContact CG2-CG 4.37Å | ||
| 282 | M | 88.3 | Confident | 69.1 | Low | 93 Ų | 93 | 95.4 Ų | 95.4 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 139.5 | 175 | -63.4 | -179.4 | -104.1 | 0 | 0 | 110.1 | D280 P298 F299 L322 | D280-M282 PolarHBondContact O-N 3.42Å; M282-P298 HydrophobicContact CB-CB 3.94Å; M282-P298 HydrophobicContact CG-CB 4.3Å; M282-P298 HydrophobicContact SD-CB 3.94Å; M282-P298 HydrophobicContact SD-CG 4.47Å; M282-F299 CarbonylContact C-O 3.46Å; M282-F299 WeakPolarHBondContact CA-O 3.26Å; M282-L322 HydrophobicContact CB-CB 4.22Å; M282-L322 HydrophobicContact CB-CD1 3.65Å; M282-L322 HydrophobicContact CB-CG 4.46Å; M282-L322 PolarHBondContact O-N 3.12Å |
| 283 | W | 91.9 | Very high | 71.6 | Confident | 5 Ų | 5 | 87.3 Ų | 87.3 | 2% | 0.019 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.8 | -174.6 | -64.2 | 85.5 | 0 | 0 | 0 | 111.1 | V281 P298 F299 M304 C319 R320 K321 I335 F337 Y340 | V281-W283 HydrophobicContact CG1-CZ2 3.95Å; V281-W283 PolarHBondContact O-NE1 2.94Å; W283-P298 CarbonylContact O-C 3.56Å; W283-P298 WeakPolarHBondContact O-CA 3.36Å; W283-F299 PolarHBondContact N-O 3.15Å; W283-F299 PolarHBondContact O-N 3.19Å; W283-M304 HydrophobicContact CB-CG 3.9Å; W283-M304 HydrophobicContact CG-CG 4.2Å; W283-C319 HydrophobicContact CE3-CB 4.1Å; W283-R320 CarbonylContact C-O 3.55Å; W283-R320 WeakPolarHBondContact CA-O 3.49Å; W283-K321 HydrophobicContact CD2-CG 4.11Å; W283-K321 HydrophobicContact CE3-CG 3.79Å; W283-K321 HydrophobicContact CH2-CD 3.74Å; W283-K321 HydrophobicContact CH2-CG 3.37Å; W283-K321 HydrophobicContact CZ2-CD 3.93Å; W283-K321 HydrophobicContact CZ2-CG 3.68Å; W283-K321 HydrophobicContact CZ3-CD 4.29Å; W283-K321 HydrophobicContact CZ3-CG 3.43Å; W283-K321 VanDerWaalsContact CZ3-CG 3.43Å; W283-I335 HydrophobicContact CH2-CD1 4.46Å; W283-I335 HydrophobicContact CH2-CG2 3.46Å; W283-I335 VanDerWaalsContact CH2-CG2 3.46Å; W283-I335 HydrophobicContact CZ2-CG2 4.15Å; W283-I335 HydrophobicContact CZ3-CD1 3.82Å; W283-I335 HydrophobicContact CZ3-CG2 3.84Å; W283-F337 HydrophobicContact CD2-CD1 4.18Å; W283-F337 AromaticContact CD2-CE1 3.74Å; W283-F337 HydrophobicContact CD2-CE1 3.74Å; W283-F337 AromaticContact CE2-CD1 3.86Å; W283-F337 AromaticContact CE2-CE1 3.89Å; W283-F337 AromaticContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CG-CE1 4.2Å; W283-F337 HydrophobicContact CH2-CE1 4.34Å; W283-F337 HydrophobicContact CZ2-CD1 4.08Å; W283-F337 HydrophobicContact CZ2-CE1 4.21Å; W283-F337 HydrophobicContact CZ3-CE1 4.2Å; W283-Y340 HydrophobicContact CH2-CD2 4.35Å; W283-Y340 AromaticContact CH2-CE2 3.93Å; W283-Y340 HydrophobicContact CH2-CE2 3.93Å; W283-Y340 AromaticContact CZ2-CD2 3.6Å; W283-Y340 HydrophobicContact CZ2-CD2 3.6Å; W283-Y340 AromaticContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CG 4.08Å |
| 284 | E | 92.4 | Very high | 74.1 | Confident | 30 Ų | 30 | 88.5 Ų | 88.5 | 14% | 0.14 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.3 | 163.6 | -63.8 | 171.7 | 141.2 | 0 | 0 | 108.3 | L295 Y296 C319 R320 L322 | E284-L295 HydrophobicContact CB-CD1 3.85Å; E284-L295 HydrophobicContact CB-CD2 4.47Å; E284-L295 HydrophobicContact CB-CG 4.14Å; E284-L295 HydrophobicContact CG-CD2 4.46Å; E284-Y296 CarbonylContact C-O 3.57Å; E284-Y296 VanDerWaalsContact CA-O 3.28Å; E284-Y296 WeakPolarHBondContact CA-O 3.27Å; E284-C319 CarbonylContact O-C 3.46Å; E284-C319 WeakPolarHBondContact O-CA 3.44Å; E284-R320 PolarHBondContact N-O 3.01Å; E284-R320 PolarHBondContact O-N 3.49Å; E284-R320 IonicContact OE2-CZ 3.25Å; E284-R320 IonicContact OE2-NE 2.82Å; E284-R320 PolarHBondContact OE2-NE 2.92Å; E284-R320 IonicContact OE2-NH2 2.77Å; E284-R320 PolarHBondContact OE2-NH2 3.02Å; E284-L322 HydrophobicContact CG-CD1 4.04Å; E284-L322 HydrophobicContact CG-CD2 3.76Å; E284-L322 HydrophobicContact CG-CG 3.79Å; E284-L322 VanDerWaalsContact OE1-CD2 3.29Å; E284-L322 WeakPolarHBondContact OE1-CD2 3.34Å |
| 285 | Y | 92.1 | Very high | 76.7 | Confident | 22 Ų | 22 | 81 Ų | 81 | 9% | 0.086 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.2 | 171.6 | 80.9 | -94.5 | 0 | 0 | 0 | 112.1 | W287 Y296 F299 M304 W307 F313 V317 Y318 | Y285-W287 AromaticContact CE2-CE2 3.93Å; Y285-W287 HydrophobicContact CE2-CZ2 4.17Å; Y285-W287 AromaticContact CE2-NE1 3.85Å; Y285-Y296 HydrophobicContact CE1-CG 4.45Å; Y285-Y296 HydrophobicContact CE2-CD2 4Å; Y285-Y296 HydrophobicContact CE2-CG 4.12Å; Y285-Y296 AromaticContact CZ-CG 3.92Å; Y285-Y296 PolarHBondContact N-O 2.88Å; Y285-Y296 PolarHBondContact O-N 3.45Å; Y285-F299 AromaticContact CD1-CD2 3.72Å; Y285-F299 HydrophobicContact CD1-CD2 3.72Å; Y285-F299 AromaticContact CD1-CE2 3.67Å; Y285-F299 HydrophobicContact CD1-CE2 3.67Å; Y285-F299 AromaticContact CE1-CD2 3.73Å; Y285-F299 HydrophobicContact CE1-CD2 3.73Å; Y285-F299 AromaticContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CZ 4.19Å; Y285-M304 HydrophobicContact CD1-CE 4Å; Y285-M304 HydrophobicContact CD1-SD 3.83Å; Y285-M304 HydrophobicContact CE1-SD 4.49Å; Y285-M304 HydrophobicContact CG-CE 4.24Å; Y285-W307 HydrophobicContact CD1-CZ3 4.29Å; Y285-W307 HydrophobicContact CE1-CE3 4.3Å; Y285-W307 HydrophobicContact CE1-CH2 4.41Å; Y285-W307 AromaticContact CE1-CZ3 3.64Å; Y285-W307 HydrophobicContact CE1-CZ3 3.64Å; Y285-F313 HydrophobicContact CD1-CZ 4.31Å; Y285-F313 HydrophobicContact CD2-CE1 4.23Å; Y285-F313 HydrophobicContact CD2-CZ 4.36Å; Y285-F313 HydrophobicContact CE1-CZ 4.09Å; Y285-F313 AromaticContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CZ 4.18Å; Y285-F313 HydrophobicContact CG-CZ 4.44Å; Y285-V317 HydrophobicContact CD2-CB 4.07Å; Y285-V317 HydrophobicContact CD2-CG1 4.25Å; Y285-V317 HydrophobicContact CD2-CG2 4.11Å; Y285-V317 HydrophobicContact CG-CG2 4.31Å; Y285-Y318 CarbonylContact C-O 3.56Å; Y285-Y318 WeakPolarHBondContact CA-O 3.49Å |
| 286 | K | 91.5 | Very high | 79.3 | Confident | 15 Ų | 15 | 81.5 Ų | 81.5 | 7% | 0.065 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.1 | 170.3 | 62.7 | 180 | -170.3 | 160.5 | 0 | 110 | E288 N289 T290 A293 E294 L295 Y318 F329 | K286-E288 WeakPolarHBondContact CD-O 3.16Å; K286-E288 WeakPolarHBondContact CE-O 3.36Å; K286-E288 WeakPolarHBondContact CG-O 3.41Å; K286-E288 PolarHBondContact NZ-O 3.5Å; K286-N289 VanDerWaalsContact NZ-C 3.35Å; K286-N289 PolarHBondContact NZ-O 2.89Å; K286-N289 PolarHBondContact NZ-OD1 2.91Å; K286-T290 PolarHBondContact NZ-O 2.81Å; K286-A293 HydrophobicContact CB-CB 4.41Å; K286-A293 HydrophobicContact CD-CB 4.34Å; K286-E294 WeakPolarHBondContact CB-O 3.46Å; K286-L295 HydrophobicContact CB-CD1 4.34Å; K286-Y318 PolarHBondContact N-O 2.77Å; K286-Y318 PolarHBondContact O-N 3.27Å; K286-F329 HydrophobicContact CD-CD1 4.18Å; K286-F329 HydrophobicContact CD-CD2 4.39Å; K286-F329 HydrophobicContact CD-CE1 3.95Å; K286-F329 HydrophobicContact CD-CE2 4.18Å; K286-F329 HydrophobicContact CD-CG 4.4Å; K286-F329 HydrophobicContact CD-CZ 3.96Å; K286-F329 HydrophobicContact CG-CD1 4.1Å; K286-F329 HydrophobicContact CG-CE1 4.01Å; K286-F329 HydrophobicContact CG-CZ 4.5Å |
| 287 | W | 89.8 | Confident | 81.4 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 47% | 0.466 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -72.9 | -38.7 | -178.2 | -67.5 | 101.9 | 0 | 0 | 0 | 112.5 | Y285 Y296 F313 V317 | Y285-W287 AromaticContact CE2-CE2 3.93Å; Y285-W287 HydrophobicContact CE2-CZ2 4.17Å; Y285-W287 AromaticContact CE2-NE1 3.85Å; W287-Y296 AromaticContact CD1-CE2 3.66Å; W287-Y296 AromaticContact NE1-CE2 3.76Å; W287-F313 AromaticContact CH2-CD1 3.62Å; W287-F313 HydrophobicContact CH2-CD1 3.62Å; W287-F313 AromaticContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CZ2-CD1 4.4Å; W287-F313 HydrophobicContact CZ2-CE1 4.09Å; W287-F313 AromaticContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CE1 4.29Å; W287-V317 HydrophobicContact CD2-CG1 3.99Å; W287-V317 HydrophobicContact CE3-CG1 3.4Å; W287-V317 HydrophobicContact CH2-CG1 4.29Å; W287-V317 HydrophobicContact CZ3-CG1 3.57Å |
| 288 | E | 87.3 | Confident | 83.6 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -118.6 | 147.6 | -177.6 | -61.4 | -173 | 174.3 | 0 | 0 | 111.6 | K286 T290 A293 | K286-E288 WeakPolarHBondContact CD-O 3.16Å; K286-E288 WeakPolarHBondContact CE-O 3.36Å; K286-E288 WeakPolarHBondContact CG-O 3.41Å; K286-E288 PolarHBondContact NZ-O 3.5Å; E288-T290 PolarHBondContact O-N 3.44Å; E288-A293 HydrophobicContact CB-CB 4.03Å; E288-A293 WeakPolarHBondContact O-CB 3.16Å |
| 289 | N | 81.6 | Confident | 85.4 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -78.7 | 7.8 | 177.7 | -162.3 | 22.8 | 0 | 0 | 0 | 113.7 | K286 Y318 | K286-N289 VanDerWaalsContact NZ-C 3.35Å; K286-N289 PolarHBondContact NZ-O 2.89Å; K286-N289 PolarHBondContact NZ-OD1 2.91Å; N289-Y318 HydrophobicContact CB-CD1 4.1Å; N289-Y318 HydrophobicContact CB-CD2 4.01Å; N289-Y318 HydrophobicContact CB-CE1 3.81Å; N289-Y318 HydrophobicContact CB-CE2 3.73Å; N289-Y318 HydrophobicContact CB-CG 4.19Å |
| 290 | T | 84.4 | Confident | 86.9 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -72.8 | 163.7 | 177.4 | 62 | 0 | 0 | 0 | 0 | 110.9 | K286 E288 D292 | K286-T290 PolarHBondContact NZ-O 2.81Å; E288-T290 PolarHBondContact O-N 3.44Å; T290-D292 VanDerWaalsContact C-N 3.29Å; T290-D292 WeakPolarHBondContact CB-OD1 3.46Å; T290-D292 PolarHBondContact OG1-OD1 3.39Å |
| 291 | G | 75.3 | Confident | 87.7 | Confident | 90 Ų | 90 | 63.7 Ų | 63.7 | 93% | 0.928 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -78.5 | -14 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 292 | D | 77.3 | Confident | 88 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 74% | 0.738 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -104.5 | -1.2 | -177.4 | 59.9 | -30.5 | 0 | 0 | 0 | 113.5 | T290 | T290-D292 VanDerWaalsContact C-N 3.29Å; T290-D292 WeakPolarHBondContact CB-OD1 3.46Å; T290-D292 PolarHBondContact OG1-OD1 3.39Å |
| 293 | A | 83.6 | Confident | 88.1 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -68.1 | 142.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K286 E288 L295 | K286-A293 HydrophobicContact CB-CB 4.41Å; K286-A293 HydrophobicContact CD-CB 4.34Å; E288-A293 HydrophobicContact CB-CB 4.03Å; E288-A293 WeakPolarHBondContact O-CB 3.16Å; A293-L295 PolarHBondContact O-N 2.85Å |
| 294 | E | 89.2 | Confident | 87.9 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 131.5 | 176.6 | -65 | 174.1 | 172.1 | 0 | 0 | 111.2 | K286 Y296 | K286-E294 WeakPolarHBondContact CB-O 3.46Å; E294-Y296 HydrophobicContact CB-CD2 4.39Å; E294-Y296 HydrophobicContact CB-CE2 3.58Å; E294-Y296 WeakPolarHBondContact O-CD2 3.39Å; E294-Y296 PolarHBondContact OE2-OH 3.45Å |
| 295 | L | 89.6 | Confident | 87.8 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 44% | 0.44 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.5 | -180 | -169.2 | 67.9 | 0 | 0 | 0 | 109.9 | E284 K286 A293 F329 | E284-L295 HydrophobicContact CB-CD1 3.85Å; E284-L295 HydrophobicContact CB-CD2 4.47Å; E284-L295 HydrophobicContact CB-CG 4.14Å; E284-L295 HydrophobicContact CG-CD2 4.46Å; K286-L295 HydrophobicContact CB-CD1 4.34Å; A293-L295 PolarHBondContact O-N 2.85Å; L295-F329 HydrophobicContact CD1-CE1 3.65Å; L295-F329 HydrophobicContact CD1-CZ 3.59Å |
| 296 | Y | 90.7 | Very high | 87.8 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.4 | -177.9 | -63.4 | -93.4 | 0 | 0 | 0 | 109.6 | E284 Y285 W287 E294 F299 | E284-Y296 CarbonylContact C-O 3.57Å; E284-Y296 VanDerWaalsContact CA-O 3.28Å; E284-Y296 WeakPolarHBondContact CA-O 3.27Å; Y285-Y296 HydrophobicContact CE1-CG 4.45Å; Y285-Y296 HydrophobicContact CE2-CD2 4Å; Y285-Y296 HydrophobicContact CE2-CG 4.12Å; Y285-Y296 AromaticContact CZ-CG 3.92Å; Y285-Y296 PolarHBondContact N-O 2.88Å; Y285-Y296 PolarHBondContact O-N 3.45Å; W287-Y296 AromaticContact CD1-CE2 3.66Å; W287-Y296 AromaticContact NE1-CE2 3.76Å; E294-Y296 HydrophobicContact CB-CD2 4.39Å; E294-Y296 HydrophobicContact CB-CE2 3.58Å; E294-Y296 WeakPolarHBondContact O-CD2 3.39Å; E294-Y296 PolarHBondContact OE2-OH 3.45Å; Y296-F299 VanDerWaalsContact C-CE2 3.43Å; Y296-F299 WeakPolarHBondContact O-CE2 3.38Å |
| 297 | G | 88.9 | Confident | 87.8 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 298 | P | 90.3 | Very high | 87.7 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -71.6 | 135.8 | -5.4 | 26.5 | -33.5 | 0 | 0 | 0 | 113.5 | M282 W283 L322 | M282-P298 HydrophobicContact CB-CB 3.94Å; M282-P298 HydrophobicContact CG-CB 4.3Å; M282-P298 HydrophobicContact SD-CB 3.94Å; M282-P298 HydrophobicContact SD-CG 4.47Å; W283-P298 CarbonylContact O-C 3.56Å; W283-P298 WeakPolarHBondContact O-CA 3.36Å; P298-L322 HydrophobicContact CB-CD1 3.46Å; P298-L322 VanDerWaalsContact CB-CD1 3.46Å; P298-L322 HydrophobicContact CG-CD1 4.49Å |
| 299 | F | 92 | Very high | 87.7 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 19% | 0.193 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.3 | 168.7 | -58.8 | -63.2 | 0 | 0 | 0 | 111.2 | M282 W283 Y285 Y296 Q303 M304 W307 | M282-F299 CarbonylContact C-O 3.46Å; M282-F299 WeakPolarHBondContact CA-O 3.26Å; W283-F299 PolarHBondContact N-O 3.15Å; W283-F299 PolarHBondContact O-N 3.19Å; Y285-F299 AromaticContact CD1-CD2 3.72Å; Y285-F299 HydrophobicContact CD1-CD2 3.72Å; Y285-F299 AromaticContact CD1-CE2 3.67Å; Y285-F299 HydrophobicContact CD1-CE2 3.67Å; Y285-F299 AromaticContact CE1-CD2 3.73Å; Y285-F299 HydrophobicContact CE1-CD2 3.73Å; Y285-F299 AromaticContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CE2 3.29Å; Y285-F299 HydrophobicContact CE1-CZ 4.19Å; Y296-F299 VanDerWaalsContact C-CE2 3.43Å; Y296-F299 WeakPolarHBondContact O-CE2 3.38Å; F299-Q303 HydrophobicContact CB-CB 4.43Å; F299-M304 HydrophobicContact CB-CG 3.99Å; F299-M304 HydrophobicContact CB-SD 3.95Å; F299-M304 HydrophobicContact CD2-SD 4.06Å; F299-M304 HydrophobicContact CG-SD 4.32Å; F299-W307 HydrophobicContact CB-CZ3 4.34Å; F299-W307 AromaticContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CH2 3.47Å; F299-W307 VanDerWaalsContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CZ2 4.46Å; F299-W307 AromaticContact CD1-CZ3 3.92Å; F299-W307 HydrophobicContact CD1-CZ3 3.92Å; F299-W307 AromaticContact CD2-CH2 3.98Å; F299-W307 HydrophobicContact CD2-CH2 3.98Å; F299-W307 AromaticContact CD2-CZ3 3.65Å; F299-W307 HydrophobicContact CD2-CZ3 3.65Å; F299-W307 AromaticContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CH2 3.44Å; F299-W307 VanDerWaalsContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CZ2 4.43Å; F299-W307 HydrophobicContact CE1-CZ3 4.14Å; F299-W307 AromaticContact CE2-CH2 3.92Å; F299-W307 HydrophobicContact CE2-CH2 3.92Å; F299-W307 AromaticContact CE2-CZ3 3.85Å; F299-W307 HydrophobicContact CE2-CZ3 3.85Å; F299-W307 AromaticContact CG-CH2 3.75Å; F299-W307 HydrophobicContact CG-CH2 3.75Å; F299-W307 AromaticContact CG-CZ3 3.67Å; F299-W307 HydrophobicContact CG-CZ3 3.67Å; F299-W307 AromaticContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CZ3 4.09Å |
| 300 | T | 92.2 | Very high | 88.1 | Confident | 47 Ų | 47 | 67.5 Ų | 67.5 | 29% | 0.288 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 155.8 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | A302 Q303 M304 | T300-A302 PolarHBondContact O-N 3.47Å; T300-Q303 PolarHBondContact O-N 2.98Å; T300-Q303 VanDerWaalsContact OG1-CD 3.28Å; T300-Q303 VanDerWaalsContact OG1-CG 3.23Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.39Å; T300-Q303 PolarHBondContact OG1-N 3.16Å; T300-Q303 PolarHBondContact OG1-OE1 3.14Å; T300-Q303 VanDerWaalsContact OG1-OE1 3.13Å; T300-M304 PolarHBondContact O-N 2.92Å; T300-M304 VanDerWaalsContact O-N 3.1Å |
| 301 | S | 88.6 | Confident | 88.3 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 3% | 0.028 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -52.4 | -41.7 | 172.7 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | M304 Q305 Y340 T341 | S301-M304 PolarHBondContact O-N 3.17Å; S301-Q305 WeakPolarHBondContact O-CB 3.43Å; S301-Q305 PolarHBondContact O-N 3.03Å; S301-Y340 WeakPolarHBondContact CB-O 3.39Å; S301-Y340 PolarHBondContact OG-O 3.18Å; S301-T341 WeakPolarHBondContact OG-CG2 3.48Å |
| 302 | A | 90.4 | Very high | 88.9 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T300 T306 T341 | T300-A302 PolarHBondContact O-N 3.47Å; A302-T306 PolarHBondContact O-N 2.93Å; A302-T306 PolarHBondContact O-OG1 3.32Å; A302-T341 HydrophobicContact CB-CG2 4.03Å |
| 303 | Q | 90.5 | Very high | 89.4 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -47 | 175.5 | -76.5 | 166.3 | -24.7 | 0 | 0 | 111.3 | F299 T300 Q305 T306 W307 | F299-Q303 HydrophobicContact CB-CB 4.43Å; T300-Q303 PolarHBondContact O-N 2.98Å; T300-Q303 VanDerWaalsContact OG1-CD 3.28Å; T300-Q303 VanDerWaalsContact OG1-CG 3.23Å; T300-Q303 WeakPolarHBondContact OG1-CG 3.39Å; T300-Q303 PolarHBondContact OG1-N 3.16Å; T300-Q303 PolarHBondContact OG1-OE1 3.14Å; T300-Q303 VanDerWaalsContact OG1-OE1 3.13Å; Q303-Q305 VanDerWaalsContact C-N 3.29Å; Q303-Q305 PolarHBondContact O-N 2.71Å; Q303-T306 WeakPolarHBondContact O-CB 3.12Å; Q303-T306 PolarHBondContact O-N 3.17Å; Q303-T306 VanDerWaalsContact O-N 3.16Å; Q303-W307 PolarHBondContact O-N 3.37Å; Q303-W307 VanDerWaalsContact O-N 3.07Å |
| 304 | M | 89 | Confident | 89.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 177.7 | -69.9 | -60.5 | -61.4 | 0 | 0 | 111.7 | W283 Y285 F299 T300 S301 W307 V308 F313 C319 F337 | W283-M304 HydrophobicContact CB-CG 3.9Å; W283-M304 HydrophobicContact CG-CG 4.2Å; Y285-M304 HydrophobicContact CD1-CE 4Å; Y285-M304 HydrophobicContact CD1-SD 3.83Å; Y285-M304 HydrophobicContact CE1-SD 4.49Å; Y285-M304 HydrophobicContact CG-CE 4.24Å; F299-M304 HydrophobicContact CB-CG 3.99Å; F299-M304 HydrophobicContact CB-SD 3.95Å; F299-M304 HydrophobicContact CD2-SD 4.06Å; F299-M304 HydrophobicContact CG-SD 4.32Å; T300-M304 PolarHBondContact O-N 2.92Å; T300-M304 VanDerWaalsContact O-N 3.1Å; S301-M304 PolarHBondContact O-N 3.17Å; M304-W307 PolarHBondContact O-N 3.29Å; M304-W307 HydrophobicContact SD-CE3 3.78Å; M304-W307 HydrophobicContact SD-CZ3 3.8Å; M304-V308 VanDerWaalsContact O-CG2 3.32Å; M304-V308 WeakPolarHBondContact O-CG2 3.23Å; M304-V308 PolarHBondContact O-N 2.88Å; M304-F313 HydrophobicContact CE-CE2 3.97Å; M304-F313 HydrophobicContact CE-CZ 4.37Å; M304-C319 HydrophobicContact CE-CB 4.47Å; M304-C319 WeakPolarHBondContact CE-SG 3.37Å; M304-F337 HydrophobicContact CB-CD1 3.71Å; M304-F337 HydrophobicContact CB-CD2 4.42Å; M304-F337 HydrophobicContact CB-CE1 3.61Å; M304-F337 HydrophobicContact CB-CE2 4.35Å; M304-F337 HydrophobicContact CB-CG 4.12Å; M304-F337 HydrophobicContact CB-CZ 3.95Å; M304-F337 HydrophobicContact CE-CE1 4.3Å; M304-F337 HydrophobicContact CE-CZ 3.95Å; M304-F337 HydrophobicContact CG-CD1 4.49Å; M304-F337 HydrophobicContact CG-CE1 4.09Å |
| 305 | Q | 88.3 | Confident | 89 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.2 | -177.2 | -176.1 | 0.8 | 0 | 0 | 112.5 | S301 Q303 W307 V308 S309 F337 D338 | S301-Q305 WeakPolarHBondContact O-CB 3.43Å; S301-Q305 PolarHBondContact O-N 3.03Å; Q303-Q305 VanDerWaalsContact C-N 3.29Å; Q303-Q305 PolarHBondContact O-N 2.71Å; Q305-W307 VanDerWaalsContact C-N 3.3Å; Q305-W307 PolarHBondContact O-N 2.9Å; Q305-V308 PolarHBondContact O-N 2.9Å; Q305-S309 WeakPolarHBondContact O-CB 3.42Å; Q305-S309 PolarHBondContact O-N 3.1Å; Q305-S309 PolarHBondContact O-OG 2.85Å; Q305-F337 HydrophobicContact CB-CB 3.98Å; Q305-D338 PolarHBondContact NE2-OD1 2.92Å; Q305-D338 PolarHBondContact OE1-OD1 3.01Å |
| 306 | T | 92.3 | Very high | 88.9 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | A302 Q303 V308 S309 E310 | A302-T306 PolarHBondContact O-N 2.93Å; A302-T306 PolarHBondContact O-OG1 3.32Å; Q303-T306 WeakPolarHBondContact O-CB 3.12Å; Q303-T306 PolarHBondContact O-N 3.17Å; Q303-T306 VanDerWaalsContact O-N 3.16Å; T306-V308 PolarHBondContact O-N 2.92Å; T306-S309 PolarHBondContact O-N 3.14Å; T306-E310 HydrophobicContact CG2-CG 4.36Å; T306-E310 WeakPolarHBondContact O-CB 3Å; T306-E310 WeakPolarHBondContact O-CG 3.42Å; T306-E310 PolarHBondContact O-N 3.38Å |
| 307 | W | 91.6 | Very high | 88.9 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 178 | -65.3 | -22.6 | 0 | 0 | 0 | 114.2 | Y285 F299 Q303 M304 Q305 S309 G311 Y312 F313 | Y285-W307 HydrophobicContact CD1-CZ3 4.29Å; Y285-W307 HydrophobicContact CE1-CE3 4.3Å; Y285-W307 HydrophobicContact CE1-CH2 4.41Å; Y285-W307 AromaticContact CE1-CZ3 3.64Å; Y285-W307 HydrophobicContact CE1-CZ3 3.64Å; F299-W307 HydrophobicContact CB-CZ3 4.34Å; F299-W307 AromaticContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CH2 3.47Å; F299-W307 VanDerWaalsContact CD1-CH2 3.47Å; F299-W307 HydrophobicContact CD1-CZ2 4.46Å; F299-W307 AromaticContact CD1-CZ3 3.92Å; F299-W307 HydrophobicContact CD1-CZ3 3.92Å; F299-W307 AromaticContact CD2-CH2 3.98Å; F299-W307 HydrophobicContact CD2-CH2 3.98Å; F299-W307 AromaticContact CD2-CZ3 3.65Å; F299-W307 HydrophobicContact CD2-CZ3 3.65Å; F299-W307 AromaticContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CH2 3.44Å; F299-W307 VanDerWaalsContact CE1-CH2 3.44Å; F299-W307 HydrophobicContact CE1-CZ2 4.43Å; F299-W307 HydrophobicContact CE1-CZ3 4.14Å; F299-W307 AromaticContact CE2-CH2 3.92Å; F299-W307 HydrophobicContact CE2-CH2 3.92Å; F299-W307 AromaticContact CE2-CZ3 3.85Å; F299-W307 HydrophobicContact CE2-CZ3 3.85Å; F299-W307 AromaticContact CG-CH2 3.75Å; F299-W307 HydrophobicContact CG-CH2 3.75Å; F299-W307 AromaticContact CG-CZ3 3.67Å; F299-W307 HydrophobicContact CG-CZ3 3.67Å; F299-W307 AromaticContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CH2 3.66Å; F299-W307 HydrophobicContact CZ-CZ3 4.09Å; Q303-W307 PolarHBondContact O-N 3.37Å; Q303-W307 VanDerWaalsContact O-N 3.07Å; M304-W307 PolarHBondContact O-N 3.29Å; M304-W307 HydrophobicContact SD-CE3 3.78Å; M304-W307 HydrophobicContact SD-CZ3 3.8Å; Q305-W307 VanDerWaalsContact C-N 3.3Å; Q305-W307 PolarHBondContact O-N 2.9Å; W307-S309 VanDerWaalsContact C-N 3.32Å; W307-G311 PolarHBondContact O-N 3.26Å; W307-G311 VanDerWaalsContact O-N 3.12Å; W307-Y312 HydrophobicContact CB-CD2 4.41Å; W307-Y312 HydrophobicContact CG-CD2 4.46Å; W307-Y312 WeakPolarHBondContact O-CB 3.4Å; W307-Y312 PolarHBondContact O-N 2.9Å; W307-F313 HydrophobicContact CB-CD2 4.2Å; W307-F313 HydrophobicContact CB-CE2 3.6Å; W307-F313 HydrophobicContact CB-CZ 4.11Å; W307-F313 HydrophobicContact CD2-CZ 4.39Å; W307-F313 HydrophobicContact CE3-CE2 4.01Å; W307-F313 AromaticContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CG-CE2 4.47Å; W307-F313 HydrophobicContact CZ3-CZ 4.48Å |
| 308 | V | 87.9 | Confident | 89 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 38% | 0.376 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | M304 Q305 T306 G311 F313 F337 | M304-V308 VanDerWaalsContact O-CG2 3.32Å; M304-V308 WeakPolarHBondContact O-CG2 3.23Å; M304-V308 PolarHBondContact O-N 2.88Å; Q305-V308 PolarHBondContact O-N 2.9Å; T306-V308 PolarHBondContact O-N 2.92Å; V308-G311 PolarHBondContact O-N 3.5Å; V308-F313 HydrophobicContact CG2-CD2 3.87Å; V308-F313 HydrophobicContact CG2-CE2 4.47Å; V308-F337 HydrophobicContact CG2-CD2 4.22Å; V308-F337 HydrophobicContact CG2-CE2 3.85Å |
| 309 | S | 88 | Confident | 89.1 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.9 | -38.4 | -178.9 | -56.1 | 0 | 0 | 0 | 0 | 112.9 | Q305 T306 W307 G311 | Q305-S309 WeakPolarHBondContact O-CB 3.42Å; Q305-S309 PolarHBondContact O-N 3.1Å; Q305-S309 PolarHBondContact O-OG 2.85Å; T306-S309 PolarHBondContact O-N 3.14Å; W307-S309 VanDerWaalsContact C-N 3.32Å; S309-G311 PolarHBondContact O-N 2.94Å |
| 310 | E | 91.1 | Very high | 88.9 | Confident | 126 Ų | 126 | 57.7 Ų | 57.7 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73.6 | -12.3 | 174.4 | -72 | 178 | 169.4 | 0 | 0 | 112.7 | T306 Y312 | T306-E310 HydrophobicContact CG2-CG 4.36Å; T306-E310 WeakPolarHBondContact O-CB 3Å; T306-E310 WeakPolarHBondContact O-CG 3.42Å; T306-E310 PolarHBondContact O-N 3.38Å; E310-Y312 HydrophobicContact CB-CD2 3.88Å; E310-Y312 HydrophobicContact CB-CE2 4.19Å; E310-Y312 WeakPolarHBondContact OE2-CE2 3.39Å |
| 311 | G | 87.7 | Confident | 88.8 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 23.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W307 V308 S309 F313 | W307-G311 PolarHBondContact O-N 3.26Å; W307-G311 VanDerWaalsContact O-N 3.12Å; V308-G311 PolarHBondContact O-N 3.5Å; S309-G311 PolarHBondContact O-N 2.94Å; G311-F313 PolarHBondContact O-N 2.84Å |
| 312 | Y | 87.1 | Confident | 88.5 | Confident | 146 Ų | 146 | 61 Ų | 61 | 57% | 0.573 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -61.7 | -23.9 | 174.1 | -89.7 | -86.5 | 0 | 0 | 0 | 113.1 | W307 E310 P314 | W307-Y312 HydrophobicContact CB-CD2 4.41Å; W307-Y312 HydrophobicContact CG-CD2 4.46Å; W307-Y312 WeakPolarHBondContact O-CB 3.4Å; W307-Y312 PolarHBondContact O-N 2.9Å; E310-Y312 HydrophobicContact CB-CD2 3.88Å; E310-Y312 HydrophobicContact CB-CE2 4.19Å; E310-Y312 WeakPolarHBondContact OE2-CE2 3.39Å; Y312-P314 VanDerWaalsContact C-CD 3.4Å; Y312-P314 WeakPolarHBondContact O-CD 3.31Å |
| 313 | F | 88.1 | Confident | 88 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | trans | -115.3 | 69.3 | -178.2 | -53.2 | -48.5 | 0 | 0 | 0 | 112 | Y285 W287 M304 W307 V308 G311 D315 G316 V317 | Y285-F313 HydrophobicContact CD1-CZ 4.31Å; Y285-F313 HydrophobicContact CD2-CE1 4.23Å; Y285-F313 HydrophobicContact CD2-CZ 4.36Å; Y285-F313 HydrophobicContact CE1-CZ 4.09Å; Y285-F313 AromaticContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CE1 3.87Å; Y285-F313 HydrophobicContact CE2-CZ 4.18Å; Y285-F313 HydrophobicContact CG-CZ 4.44Å; W287-F313 AromaticContact CH2-CD1 3.62Å; W287-F313 HydrophobicContact CH2-CD1 3.62Å; W287-F313 AromaticContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CH2-CE1 3.76Å; W287-F313 HydrophobicContact CZ2-CD1 4.4Å; W287-F313 HydrophobicContact CZ2-CE1 4.09Å; W287-F313 AromaticContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CD1 3.8Å; W287-F313 HydrophobicContact CZ3-CE1 4.29Å; M304-F313 HydrophobicContact CE-CE2 3.97Å; M304-F313 HydrophobicContact CE-CZ 4.37Å; W307-F313 HydrophobicContact CB-CD2 4.2Å; W307-F313 HydrophobicContact CB-CE2 3.6Å; W307-F313 HydrophobicContact CB-CZ 4.11Å; W307-F313 HydrophobicContact CD2-CZ 4.39Å; W307-F313 HydrophobicContact CE3-CE2 4.01Å; W307-F313 AromaticContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CE3-CZ 3.73Å; W307-F313 HydrophobicContact CG-CE2 4.47Å; W307-F313 HydrophobicContact CZ3-CZ 4.48Å; V308-F313 HydrophobicContact CG2-CD2 3.87Å; V308-F313 HydrophobicContact CG2-CE2 4.47Å; G311-F313 PolarHBondContact O-N 2.84Å; F313-D315 PolarHBondContact O-N 3.24Å; F313-G316 PolarHBondContact O-N 3.45Å; F313-G316 VanDerWaalsContact O-N 3.14Å; F313-V317 HydrophobicContact CB-CG1 4.19Å; F313-V317 HydrophobicContact CB-CG2 4.15Å; F313-V317 HydrophobicContact CD1-CB 4.08Å; F313-V317 HydrophobicContact CD1-CG1 3.27Å; F313-V317 HydrophobicContact CD1-CG2 3.62Å; F313-V317 HydrophobicContact CD2-CG2 3.69Å; F313-V317 HydrophobicContact CE1-CB 4.39Å; F313-V317 HydrophobicContact CE1-CG1 3.76Å; F313-V317 HydrophobicContact CE1-CG2 3.81Å; F313-V317 HydrophobicContact CE2-CG2 3.88Å; F313-V317 HydrophobicContact CG-CB 4.33Å; F313-V317 HydrophobicContact CG-CG1 3.86Å; F313-V317 HydrophobicContact CG-CG2 3.54Å; F313-V317 HydrophobicContact CZ-CG2 3.93Å | ||
| 314 | P | 82.1 | Confident | 87.4 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -61.9 | -44.1 | -175 | 24.2 | -33.4 | 0 | 0 | 0 | 112.7 | Y312 G316 K333 | Y312-P314 VanDerWaalsContact C-CD 3.4Å; Y312-P314 WeakPolarHBondContact O-CD 3.31Å; P314-G316 VanDerWaalsContact C-N 3.3Å; P314-K333 WeakPolarHBondContact O-CE 3.42Å; P314-K333 PolarHBondContact O-NZ 3.06Å |
| 315 | D | 83.8 | Confident | 86.6 | Confident | 140 Ų | 140 | 70 Ų | 70 | 75% | 0.749 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -84.1 | -7.6 | 178.2 | -69.7 | -34 | 0 | 0 | 0 | 113.3 | F313 K333 | F313-D315 PolarHBondContact O-N 3.24Å; D315-K333 PolarHBondContact O-NZ 2.74Å |
| 316 | G | 86 | Confident | 85.8 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | trans | 79.1 | 140.9 | -171 | 0 | 0 | 0 | 0 | 0 | 111.2 | F313 P314 S332 | F313-G316 PolarHBondContact O-N 3.45Å; F313-G316 VanDerWaalsContact O-N 3.14Å; P314-G316 VanDerWaalsContact C-N 3.3Å; G316-S332 WeakPolarHBondContact CA-OG 3.43Å | ||
| 317 | V | 90.7 | Very high | 85.1 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | trans | -110 | 160.6 | -179.6 | -71.4 | 0 | 0 | 0 | 0 | 110.5 | Y285 W287 F313 C319 N331 S332 | Y285-V317 HydrophobicContact CD2-CB 4.07Å; Y285-V317 HydrophobicContact CD2-CG1 4.25Å; Y285-V317 HydrophobicContact CD2-CG2 4.11Å; Y285-V317 HydrophobicContact CG-CG2 4.31Å; W287-V317 HydrophobicContact CD2-CG1 3.99Å; W287-V317 HydrophobicContact CE3-CG1 3.4Å; W287-V317 HydrophobicContact CH2-CG1 4.29Å; W287-V317 HydrophobicContact CZ3-CG1 3.57Å; F313-V317 HydrophobicContact CB-CG1 4.19Å; F313-V317 HydrophobicContact CB-CG2 4.15Å; F313-V317 HydrophobicContact CD1-CB 4.08Å; F313-V317 HydrophobicContact CD1-CG1 3.27Å; F313-V317 HydrophobicContact CD1-CG2 3.62Å; F313-V317 HydrophobicContact CD2-CG2 3.69Å; F313-V317 HydrophobicContact CE1-CB 4.39Å; F313-V317 HydrophobicContact CE1-CG1 3.76Å; F313-V317 HydrophobicContact CE1-CG2 3.81Å; F313-V317 HydrophobicContact CE2-CG2 3.88Å; F313-V317 HydrophobicContact CG-CB 4.33Å; F313-V317 HydrophobicContact CG-CG1 3.86Å; F313-V317 HydrophobicContact CG-CG2 3.54Å; F313-V317 HydrophobicContact CZ-CG2 3.93Å; V317-C319 PolarHBondContact O-N 2.7Å; V317-N331 CarbonylContact O-C 3.51Å; V317-N331 WeakPolarHBondContact O-CA 3.48Å; V317-S332 PolarHBondContact N-OG 3.46Å; V317-S332 WeakPolarHBondContact O-CB 3.18Å; V317-S332 PolarHBondContact O-N 3.05Å | ||
| 318 | Y | 92 | Very high | 84.8 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 28% | 0.275 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 107.7 | 179.5 | -75.9 | -86.7 | 0 | 0 | 0 | 109.8 | Y285 K286 N289 F329 Y330 | Y285-Y318 CarbonylContact C-O 3.56Å; Y285-Y318 WeakPolarHBondContact CA-O 3.49Å; K286-Y318 PolarHBondContact N-O 2.77Å; K286-Y318 PolarHBondContact O-N 3.27Å; N289-Y318 HydrophobicContact CB-CD1 4.1Å; N289-Y318 HydrophobicContact CB-CD2 4.01Å; N289-Y318 HydrophobicContact CB-CE1 3.81Å; N289-Y318 HydrophobicContact CB-CE2 3.73Å; N289-Y318 HydrophobicContact CB-CG 4.19Å; Y318-F329 HydrophobicContact CD1-CB 4.32Å; Y318-F329 WeakPolarHBondContact O-CD1 3.13Å; Y318-Y330 CarbonylContact C-O 3.58Å; Y318-Y330 WeakPolarHBondContact CA-O 3.32Å |
| 319 | C | 90.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 150.2 | -178.1 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | W283 E284 M304 V317 Y330 I335 F337 | W283-C319 HydrophobicContact CE3-CB 4.1Å; E284-C319 CarbonylContact O-C 3.46Å; E284-C319 WeakPolarHBondContact O-CA 3.44Å; M304-C319 HydrophobicContact CE-CB 4.47Å; M304-C319 WeakPolarHBondContact CE-SG 3.37Å; V317-C319 PolarHBondContact O-N 2.7Å; C319-Y330 PolarHBondContact N-O 2.99Å; C319-Y330 PolarHBondContact O-N 2.83Å; C319-I335 HydrophobicContact CB-CD1 3.7Å; C319-F337 HydrophobicContact CB-CZ 4.36Å |
| 320 | R | 89.6 | Confident | 85 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 17% | 0.17 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.8 | 176.7 | 175.5 | 179.8 | 76.8 | 173 | 3.9 | 109.9 | W283 E284 G327 F329 | W283-R320 CarbonylContact C-O 3.55Å; W283-R320 WeakPolarHBondContact CA-O 3.49Å; E284-R320 PolarHBondContact N-O 3.01Å; E284-R320 PolarHBondContact O-N 3.49Å; E284-R320 IonicContact OE2-CZ 3.25Å; E284-R320 IonicContact OE2-NE 2.82Å; E284-R320 PolarHBondContact OE2-NE 2.92Å; E284-R320 IonicContact OE2-NH2 2.77Å; E284-R320 PolarHBondContact OE2-NH2 3.02Å; R320-G327 WeakPolarHBondContact CD-O 3.44Å; R320-G327 PolarHBondContact NH1-O 2.85Å; R320-F329 HydrophobicContact CB-CD1 3.71Å; R320-F329 HydrophobicContact CB-CE1 3.82Å; R320-F329 HydrophobicContact CB-CG 4.28Å; R320-F329 HydrophobicContact CB-CZ 4.47Å |
| 321 | K | 89.5 | Confident | 85 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 138.2 | 170.2 | -61.6 | -175.1 | -70.3 | -175.9 | 0 | 110.7 | V281 W283 D323 Y340 | V281-K321 HydrophobicContact CG1-CB 4.15Å; V281-K321 HydrophobicContact CG1-CD 3.6Å; V281-K321 HydrophobicContact CG1-CG 3.67Å; W283-K321 HydrophobicContact CD2-CG 4.11Å; W283-K321 HydrophobicContact CE3-CG 3.79Å; W283-K321 HydrophobicContact CH2-CD 3.74Å; W283-K321 HydrophobicContact CH2-CG 3.37Å; W283-K321 HydrophobicContact CZ2-CD 3.93Å; W283-K321 HydrophobicContact CZ2-CG 3.68Å; W283-K321 HydrophobicContact CZ3-CD 4.29Å; W283-K321 HydrophobicContact CZ3-CG 3.43Å; W283-K321 VanDerWaalsContact CZ3-CG 3.43Å; K321-D323 VanDerWaalsContact C-N 3.35Å; K321-Y340 HydrophobicContact CD-CE1 4.06Å; K321-Y340 PolarHBondContact NZ-OH 3.11Å |
| 322 | L | 82.5 | Confident | 84.9 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -71.9 | -29.9 | 177.5 | -86.5 | 167.7 | 0 | 0 | 0 | 113.4 | M282 E284 P298 P324 P325 | M282-L322 HydrophobicContact CB-CB 4.22Å; M282-L322 HydrophobicContact CB-CD1 3.65Å; M282-L322 HydrophobicContact CB-CG 4.46Å; M282-L322 PolarHBondContact O-N 3.12Å; E284-L322 HydrophobicContact CG-CD1 4.04Å; E284-L322 HydrophobicContact CG-CD2 3.76Å; E284-L322 HydrophobicContact CG-CG 3.79Å; E284-L322 VanDerWaalsContact OE1-CD2 3.29Å; E284-L322 WeakPolarHBondContact OE1-CD2 3.34Å; P298-L322 HydrophobicContact CB-CD1 3.46Å; P298-L322 VanDerWaalsContact CB-CD1 3.46Å; P298-L322 HydrophobicContact CG-CD1 4.49Å; L322-P324 CarbonylContact O-C 3.16Å; L322-P325 WeakPolarHBondContact O-CA 3.15Å; L322-P325 VanDerWaalsContact O-N 3.12Å |
| 323 | D | 79.5 | Confident | 84.9 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 63% | 0.631 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -109.6 | 115.6 | 172.5 | -168.8 | 14.9 | 0 | 0 | 0 | 109.7 | K321 | K321-D323 VanDerWaalsContact C-N 3.35Š|
| 324 | P | 77.1 | Confident | 84.9 | Confident | 86 Ų | 86 | 74.2 Ų | 74.2 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | S | Bend | cis | -78.5 | 149.4 | 0.9 | 29.6 | -33.8 | 0 | 0 | 0 | 114.6 | L322 G326 G327 | L322-P324 CarbonylContact O-C 3.16Å; P324-G326 PolarHBondContact O-N 2.87Å; P324-G327 PolarHBondContact O-N 3.46Å |
| 325 | P | 72.7 | Confident | 85.2 | Confident | 116 Ų | 116 | 70.7 Ų | 70.7 | 75% | 0.753 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 127.1 | 179.4 | 25.7 | -33.8 | 0 | 0 | 0 | 110.5 | L322 | L322-P325 WeakPolarHBondContact O-CA 3.15Å; L322-P325 VanDerWaalsContact O-N 3.12Å |
| 326 | G | 71.5 | Confident | 85.4 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | 16.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P324 | P324-G326 PolarHBondContact O-N 2.87Š|
| 327 | G | 78.6 | Confident | 85.5 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 166.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R320 P324 | R320-G327 WeakPolarHBondContact CD-O 3.44Å; R320-G327 PolarHBondContact NH1-O 2.85Å; P324-G327 PolarHBondContact O-N 3.46Å |
| 328 | Q | 85.4 | Confident | 85.2 | Confident | 120 Ų | 120 | 74 Ų | 74 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 145 | 172.3 | -177.6 | 59.6 | 51.9 | 0 | 0 | 110.4 | Y330 | Q328-Y330 HydrophobicContact CB-CE2 4.14Å; Q328-Y330 VanDerWaalsContact O-CD2 3.27Å; Q328-Y330 WeakPolarHBondContact O-CD2 3.3Å; Q328-Y330 WeakPolarHBondContact O-CE2 3.48Å |
| 329 | F | 89.1 | Confident | 84.8 | Confident | 36 Ų | 36 | 77 Ų | 77 | 16% | 0.158 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 132.5 | 170.5 | -71.5 | -83.8 | 0 | 0 | 0 | 111.3 | K286 L295 Y318 R320 | K286-F329 HydrophobicContact CD-CD1 4.18Å; K286-F329 HydrophobicContact CD-CD2 4.39Å; K286-F329 HydrophobicContact CD-CE1 3.95Å; K286-F329 HydrophobicContact CD-CE2 4.18Å; K286-F329 HydrophobicContact CD-CG 4.4Å; K286-F329 HydrophobicContact CD-CZ 3.96Å; K286-F329 HydrophobicContact CG-CD1 4.1Å; K286-F329 HydrophobicContact CG-CE1 4.01Å; K286-F329 HydrophobicContact CG-CZ 4.5Å; L295-F329 HydrophobicContact CD1-CE1 3.65Å; L295-F329 HydrophobicContact CD1-CZ 3.59Å; Y318-F329 HydrophobicContact CD1-CB 4.32Å; Y318-F329 WeakPolarHBondContact O-CD1 3.13Å; R320-F329 HydrophobicContact CB-CD1 3.71Å; R320-F329 HydrophobicContact CB-CE1 3.82Å; R320-F329 HydrophobicContact CB-CG 4.28Å; R320-F329 HydrophobicContact CB-CZ 4.47Å |
| 330 | Y | 90 | Very high | 84.3 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 52% | 0.518 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.8 | 175.1 | -63.9 | -80.7 | 0 | 0 | 0 | 110 | Y318 C319 Q328 S332 | Y318-Y330 CarbonylContact C-O 3.58Å; Y318-Y330 WeakPolarHBondContact CA-O 3.32Å; C319-Y330 PolarHBondContact N-O 2.99Å; C319-Y330 PolarHBondContact O-N 2.83Å; Q328-Y330 HydrophobicContact CB-CE2 4.14Å; Q328-Y330 VanDerWaalsContact O-CD2 3.27Å; Q328-Y330 WeakPolarHBondContact O-CD2 3.3Å; Q328-Y330 WeakPolarHBondContact O-CE2 3.48Å; Y330-S332 PolarHBondContact O-N 2.97Å |
| 331 | N | 90.2 | Very high | 83.5 | Confident | 36 Ų | 36 | 84.2 Ų | 84.2 | 19% | 0.193 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 135.4 | 174.3 | -172.9 | -65.9 | 0 | 0 | 0 | 109.8 | V317 K333 R334 | V317-N331 CarbonylContact O-C 3.51Å; V317-N331 WeakPolarHBondContact O-CA 3.48Å; N331-K333 PolarHBondContact O-N 2.78Å; N331-K333 VanDerWaalsContact O-N 3.13Å; N331-K333 WeakPolarHBondContact OD1-CB 3.16Å; N331-K333 PolarHBondContact OD1-N 3.4Å; N331-R334 WeakPolarHBondContact O-CB 3.44Å; N331-R334 PolarHBondContact O-N 3.17Å |
| 332 | S | 87.5 | Confident | 83.2 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 4% | 0.035 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -57.1 | -29.2 | -176.2 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | G316 V317 Y330 R334 I335 | G316-S332 WeakPolarHBondContact CA-OG 3.43Å; V317-S332 PolarHBondContact N-OG 3.46Å; V317-S332 WeakPolarHBondContact O-CB 3.18Å; V317-S332 PolarHBondContact O-N 3.05Å; Y330-S332 PolarHBondContact O-N 2.97Å; S332-R334 PolarHBondContact O-N 3.29Å; S332-I335 PolarHBondContact O-N 3.49Å; S332-I335 VanDerWaalsContact O-N 3.14Å |
| 333 | K | 87.1 | Confident | 83.2 | Confident | 135 Ų | 135 | 86.6 Ų | 86.6 | 59% | 0.587 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -66.1 | -14.8 | 174.6 | -64.9 | 175.2 | 174.8 | 166.2 | 0 | 113.8 | P314 D315 N331 | P314-K333 WeakPolarHBondContact O-CE 3.42Å; P314-K333 PolarHBondContact O-NZ 3.06Å; D315-K333 PolarHBondContact O-NZ 2.74Å; N331-K333 PolarHBondContact O-N 2.78Å; N331-K333 VanDerWaalsContact O-N 3.13Å; N331-K333 WeakPolarHBondContact OD1-CB 3.16Å; N331-K333 PolarHBondContact OD1-N 3.4Å |
| 334 | R | 87.5 | Confident | 83.4 | Confident | 204 Ų | 204 | 84.9 Ų | 84.9 | 77% | 0.77 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -103.2 | 2.2 | 178.5 | -57.6 | -178.3 | 62.7 | 80.5 | 3.4 | 112.5 | N331 S332 | N331-R334 WeakPolarHBondContact O-CB 3.44Å; N331-R334 PolarHBondContact O-N 3.17Å; S332-R334 PolarHBondContact O-N 3.29Å |
| 335 | I | 88.2 | Confident | 83.8 | Confident | 21 Ų | 21 | 84.8 Ų | 84.8 | 11% | 0.108 | 44% | 0.44 | C | S | . | . | trans | -116.2 | 118.6 | -176.3 | -60.5 | 169.4 | 0 | 0 | 0 | 107.8 | W283 C319 S332 F337 | W283-I335 HydrophobicContact CH2-CD1 4.46Å; W283-I335 HydrophobicContact CH2-CG2 3.46Å; W283-I335 VanDerWaalsContact CH2-CG2 3.46Å; W283-I335 HydrophobicContact CZ2-CG2 4.15Å; W283-I335 HydrophobicContact CZ3-CD1 3.82Å; W283-I335 HydrophobicContact CZ3-CG2 3.84Å; C319-I335 HydrophobicContact CB-CD1 3.7Å; S332-I335 PolarHBondContact O-N 3.49Å; S332-I335 VanDerWaalsContact O-N 3.14Å; I335-F337 HydrophobicContact CB-CE2 4.33Å; I335-F337 HydrophobicContact CB-CZ 4.21Å; I335-F337 HydrophobicContact CG2-CD1 3.99Å; I335-F337 HydrophobicContact CG2-CD2 4.44Å; I335-F337 HydrophobicContact CG2-CE1 3.8Å; I335-F337 HydrophobicContact CG2-CE2 4.25Å; I335-F337 HydrophobicContact CG2-CG 4.31Å; I335-F337 HydrophobicContact CG2-CZ 3.94Å; I335-F337 PolarHBondContact O-N 3.41Å | ||
| 336 | D | 88.2 | Confident | 84.5 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | trans | -88.3 | 95.9 | 171.4 | -62 | -41.1 | 0 | 0 | 0 | 108.5 | D338 L339 | D336-D338 PolarHBondContact O-N 3.5Å; D336-L339 HydrophobicContact CB-CD1 4.05Å; D336-L339 HydrophobicContact CB-CG 4.07Å; D336-L339 PolarHBondContact O-N 3.1Å | ||
| 337 | F | 87.1 | Confident | 85.3 | Confident | 8 Ų | 8 | 84.5 Ų | 84.5 | 4% | 0.035 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -63.2 | -23.4 | -179.9 | -64.7 | -76.8 | 0 | 0 | 0 | 112.8 | W283 M304 Q305 V308 C319 I335 L339 Y340 | W283-F337 HydrophobicContact CD2-CD1 4.18Å; W283-F337 AromaticContact CD2-CE1 3.74Å; W283-F337 HydrophobicContact CD2-CE1 3.74Å; W283-F337 AromaticContact CE2-CD1 3.86Å; W283-F337 AromaticContact CE2-CE1 3.89Å; W283-F337 AromaticContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CE3-CE1 3.91Å; W283-F337 HydrophobicContact CG-CE1 4.2Å; W283-F337 HydrophobicContact CH2-CE1 4.34Å; W283-F337 HydrophobicContact CZ2-CD1 4.08Å; W283-F337 HydrophobicContact CZ2-CE1 4.21Å; W283-F337 HydrophobicContact CZ3-CE1 4.2Å; M304-F337 HydrophobicContact CB-CD1 3.71Å; M304-F337 HydrophobicContact CB-CD2 4.42Å; M304-F337 HydrophobicContact CB-CE1 3.61Å; M304-F337 HydrophobicContact CB-CE2 4.35Å; M304-F337 HydrophobicContact CB-CG 4.12Å; M304-F337 HydrophobicContact CB-CZ 3.95Å; M304-F337 HydrophobicContact CE-CE1 4.3Å; M304-F337 HydrophobicContact CE-CZ 3.95Å; M304-F337 HydrophobicContact CG-CD1 4.49Å; M304-F337 HydrophobicContact CG-CE1 4.09Å; Q305-F337 HydrophobicContact CB-CB 3.98Å; V308-F337 HydrophobicContact CG2-CD2 4.22Å; V308-F337 HydrophobicContact CG2-CE2 3.85Å; C319-F337 HydrophobicContact CB-CZ 4.36Å; I335-F337 HydrophobicContact CB-CE2 4.33Å; I335-F337 HydrophobicContact CB-CZ 4.21Å; I335-F337 HydrophobicContact CG2-CD1 3.99Å; I335-F337 HydrophobicContact CG2-CD2 4.44Å; I335-F337 HydrophobicContact CG2-CE1 3.8Å; I335-F337 HydrophobicContact CG2-CE2 4.25Å; I335-F337 HydrophobicContact CG2-CG 4.31Å; I335-F337 HydrophobicContact CG2-CZ 3.94Å; I335-F337 PolarHBondContact O-N 3.41Å; F337-L339 PolarHBondContact O-N 3.14Å; F337-Y340 PolarHBondContact O-N 3.31Å |
| 338 | D | 84.6 | Confident | 85.8 | Confident | 103 Ų | 103 | 88.4 Ų | 88.4 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -58.3 | -22.6 | 174 | -75 | -50 | 0 | 0 | 0 | 114.2 | Q305 D336 Y340 T341 | Q305-D338 PolarHBondContact NE2-OD1 2.92Å; Q305-D338 PolarHBondContact OE1-OD1 3.01Å; D336-D338 PolarHBondContact O-N 3.5Å; D338-Y340 PolarHBondContact O-N 3Å; D338-T341 WeakPolarHBondContact CA-OG1 3.4Å; D338-T341 PolarHBondContact O-OG1 3.31Å |
| 339 | L | 83.5 | Confident | 85.9 | Confident | 135 Ų | 135 | 86 Ų | 86 | 71% | 0.707 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -76.1 | -4.1 | 177.2 | -61.6 | 178.7 | 0 | 0 | 0 | 112.6 | D336 F337 | D336-L339 HydrophobicContact CB-CD1 4.05Å; D336-L339 HydrophobicContact CB-CG 4.07Å; D336-L339 PolarHBondContact O-N 3.1Å; F337-L339 PolarHBondContact O-N 3.14Å |
| 340 | Y | 81 | Confident | 85.6 | Confident | 80 Ų | 80 | 90.2 Ų | 90.2 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -129.7 | 10 | -174.1 | -55.8 | -82 | 0 | 0 | 0 | 112.7 | V281 W283 S301 K321 F337 D338 | V281-Y340 HydrophobicContact CB-CD1 4.08Å; V281-Y340 HydrophobicContact CB-CG 4.45Å; V281-Y340 HydrophobicContact CG1-CD1 4.22Å; V281-Y340 HydrophobicContact CG2-CD1 3.59Å; V281-Y340 HydrophobicContact CG2-CE1 4.23Å; V281-Y340 HydrophobicContact CG2-CG 4.37Å; W283-Y340 HydrophobicContact CH2-CD2 4.35Å; W283-Y340 AromaticContact CH2-CE2 3.93Å; W283-Y340 HydrophobicContact CH2-CE2 3.93Å; W283-Y340 AromaticContact CZ2-CD2 3.6Å; W283-Y340 HydrophobicContact CZ2-CD2 3.6Å; W283-Y340 AromaticContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CE2 3.62Å; W283-Y340 HydrophobicContact CZ2-CG 4.08Å; S301-Y340 WeakPolarHBondContact CB-O 3.39Å; S301-Y340 PolarHBondContact OG-O 3.18Å; K321-Y340 HydrophobicContact CD-CE1 4.06Å; K321-Y340 PolarHBondContact NZ-OH 3.11Å; F337-Y340 PolarHBondContact O-N 3.31Å; D338-Y340 PolarHBondContact O-N 3Å |
| 341 | T | 72.1 | Confident | 85.2 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | trans | -108.4 | 0 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | S301 A302 D338 | S301-T341 WeakPolarHBondContact OG-CG2 3.48Å; A302-T341 HydrophobicContact CB-CG2 4.03Å; D338-T341 WeakPolarHBondContact CA-OG1 3.4Å; D338-T341 PolarHBondContact O-OG1 3.31Å |
Retrieved 341 of 341 residues in 132.5 ms
(Link to these results)