| 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 | 35.7 | Very low | 31.8 | Very low | 248 Ų | 248 | 165.9 Ų | 165.9 | 100% | 1.222 | 85% | 0.852 | S | S | * | * | 0 | 157.5 | 0 | -67.6 | -175.3 | -131.2 | 0 | 0 | 108.6 | |||||
| 2 | C | 31.7 | Very low | 31.5 | Very low | 127 Ų | 127 | 166.8 Ų | 166.8 | 86% | 0.858 | 85% | 0.854 | S | S | * | * | trans | -39.6 | 133.7 | -157.2 | -61.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 3 | S | 29.1 | Very low | 31.3 | Very low | 109 Ų | 109 | 162.2 Ų | 162.2 | 76% | 0.762 | 85% | 0.846 | S | S | * | * | trans | -66 | -171.3 | 147.8 | -36.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 4 | I | 33.8 | Very low | 31.1 | Very low | 152 Ų | 152 | 162 Ų | 162 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | trans | 119.6 | 129.6 | 163.3 | -69.9 | 165.2 | 0 | 0 | 0 | 111.6 | ||||
| 5 | I | 33.7 | Very low | 31.1 | Very low | 152 Ų | 152 | 159.9 Ų | 159.9 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | cis | -154.4 | 164.8 | -0.7 | -118.5 | 176.6 | 0 | 0 | 0 | 111.6 | ||||
| 6 | L | 31.2 | Very low | 30.9 | Very low | 151 Ų | 151 | 159.2 Ų | 159.2 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | trans | -77.7 | 158.8 | 170.2 | -76.4 | 92.9 | 0 | 0 | 0 | 113.2 | ||||
| 7 | Q | 31 | Very low | 30.9 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 94% | 0.944 | 84% | 0.84 | S | S | * | * | -164.2 | 171.3 | 118.9 | -107.2 | 168.8 | 14.8 | 0 | 0 | 113.7 | |||||
| 8 | K | 32.4 | Very low | 30.9 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -144.7 | 166.6 | -157.8 | -173.8 | -169.4 | 177.7 | -180 | 0 | 109.6 | ||||
| 9 | V | 30 | Very low | 31.2 | Very low | 117 Ų | 117 | 154 Ų | 154 | 71% | 0.709 | 83% | 0.828 | S | S | * | * | trans | 82.8 | 135.5 | 169.7 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | Q | 28.9 | Very low | 31.1 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | cis | -152.2 | -178.7 | 47 | -152.3 | 148.1 | 8.7 | 0 | 0 | 114.5 | ||||
| 11 | K | 32.1 | Very low | 31 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -124.6 | 166.1 | -173.5 | -175 | -179.4 | -179.7 | -176.6 | 0 | 109.7 | ||||
| 12 | M | 29.1 | Very low | 30.6 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | 90.3 | 146.4 | -179.3 | -55.4 | 174.8 | 66.2 | 0 | 0 | 113.6 | ||||
| 13 | S | 28.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -164.9 | 172.5 | -8.8 | 39.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 14 | N | 27.4 | Very low | 31.1 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -40.1 | 153.6 | 178.5 | -71.7 | -3.2 | 0 | 0 | 0 | 117.8 | ||||
| 15 | V | 31.4 | Very low | 30.9 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | -168.7 | 145.7 | 110 | 144.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 16 | D | 29 | Very low | 31 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -1.3 | 146 | 174 | -60.5 | -51.3 | 0 | 0 | 0 | 125.7 | ||||
| 17 | G | 30.9 | Very low | 31.4 | Very low | 83 Ų | 83 | 152.3 Ų | 152.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -152.1 | 72.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 18 | H | 30 | Very low | 31.8 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 126.7 | -173.5 | 165 | 95.9 | 0 | 0 | 0 | 112.6 | D20 | H18-D20 IonicContact CE1-OD1 3.12Å; H18-D20 PolarHBondContact CE1-OD1 3.05Å; H18-D20 IonicContact CE1-OD2 3.16Å; H18-D20 PolarHBondContact CE1-OD2 3.23Å; H18-D20 IonicContact ND1-OD1 3.49Å; H18-D20 PolarHBondContact ND1-OD1 3.02Å; H18-D20 IonicContact NE2-OD2 3.7Å | ||
| 19 | I | 35.9 | Very low | 32 | Very low | 162 Ų | 162 | 150.3 Ų | 150.3 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -135.3 | 103.6 | 158.4 | -62.9 | -177.4 | 0 | 0 | 0 | 107.5 | ||||
| 20 | D | 30 | Very low | 32.5 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 145.6 | 170.1 | -86.1 | -6.3 | 0 | 0 | 0 | 111.7 | H18 | H18-D20 IonicContact CE1-OD1 3.12Å; H18-D20 PolarHBondContact CE1-OD1 3.05Å; H18-D20 IonicContact CE1-OD2 3.16Å; H18-D20 PolarHBondContact CE1-OD2 3.23Å; H18-D20 IonicContact ND1-OD1 3.49Å; H18-D20 PolarHBondContact ND1-OD1 3.02Å; H18-D20 IonicContact NE2-OD2 3.7Å | ||
| 21 | N | 28.5 | Very low | 33.2 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -148.6 | 119 | 157.7 | -128.5 | -30.6 | 0 | 0 | 0 | 110.5 | ||||
| 22 | Y | 28.7 | Very low | 33.9 | Very low | 207 Ų | 207 | 153 Ų | 153 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -149 | 132.2 | -157.9 | 177.1 | -86 | 0 | 0 | 0 | 108.4 | ||||
| 23 | C | 30.3 | Very low | 35 | Very low | 81 Ų | 81 | 154.7 Ų | 154.7 | 55% | 0.547 | 78% | 0.781 | S | S | . | * | cis | -150.9 | -155.7 | 2.9 | -131.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 24 | P | 39.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -127.9 | 166.3 | 7.6 | 39 | -20.2 | 0 | 0 | 0 | 116.9 | ||||
| 25 | E | 30.8 | Very low | 37.4 | Very low | 183 Ų | 183 | 160.7 Ų | 160.7 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 130.1 | 167.8 | -60.3 | -177.9 | 116.8 | 0 | 0 | 111.1 | ||||
| 26 | E | 34.3 | Very low | 38.4 | Very low | 169 Ų | 169 | 158.7 Ų | 158.7 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -110.8 | 121.5 | 160 | -102.2 | -69.5 | 156.6 | 0 | 0 | 107.8 | Q28 | E26-Q28 VanDerWaalsContact C-N 3.27Å; E26-Q28 PolarHBondContact O-N 2.97Å | ||
| 27 | E | 39.7 | Very low | 39.6 | Very low | 168 Ų | 168 | 155.4 Ų | 155.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -79 | 65.8 | -160.9 | -160.4 | -169.2 | 153.8 | 0 | 0 | 112.9 | K29 | E27-K29 PolarHBondContact O-N 2.99Š| ||
| 28 | Q | 39.8 | Very low | 40.7 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -73.6 | 95 | 175.5 | -67.9 | -166.4 | 10.5 | 0 | 0 | 111.3 | E26 R30 | E26-Q28 VanDerWaalsContact C-N 3.27Å; E26-Q28 PolarHBondContact O-N 2.97Å; Q28-R30 PolarHBondContact O-N 3.18Å | ||
| 29 | K | 35.7 | Very low | 42.3 | Very low | 177 Ų | 177 | 158.5 Ų | 158.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -42.3 | 98 | 169.4 | -76.6 | 175.5 | 176.6 | 168.2 | 0 | 111.8 | E27 T31 | E27-K29 PolarHBondContact O-N 2.99Å; K29-T31 PolarHBondContact O-N 2.92Å | ||
| 30 | R | 41.5 | Very low | 44.1 | Very low | 242 Ų | 242 | 152 Ų | 152 | 91% | 0.913 | 73% | 0.734 | S | S | * | * | trans | -65.7 | 79.5 | 170.2 | -89.9 | -172.8 | 168.6 | -165.7 | -1.1 | 110.3 | Q28 K32 | Q28-R30 PolarHBondContact O-N 3.18Å; R30-K32 PolarHBondContact O-N 3.02Å; R30-K32 VanDerWaalsContact O-N 3.09Å | ||
| 31 | T | 44.3 | Very low | 46.9 | Very low | 103 Ų | 103 | 150 Ų | 150 | 63% | 0.632 | 73% | 0.729 | S | S | * | * | trans | -58.5 | 113.8 | 156.4 | 36 | 0 | 0 | 0 | 0 | 107.3 | K29 R33 | K29-T31 PolarHBondContact O-N 2.92Å; T31-R33 PolarHBondContact O-N 3.03Å | ||
| 32 | K | 47.1 | Very low | 50 | Low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 69% | 0.686 | S | S | * | * | trans | -66.4 | 79.6 | 175.4 | -68.4 | -179.3 | -179.3 | 176.8 | 0 | 109.1 | R30 K34 | R30-K32 PolarHBondContact O-N 3.02Å; R30-K32 VanDerWaalsContact O-N 3.09Å; K32-K34 PolarHBondContact O-N 3.48Å | ||
| 33 | R | 51.1 | Low | 52.8 | Low | 214 Ų | 214 | 135.6 Ų | 135.6 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -61.5 | 110.8 | 170.8 | -67.9 | -177.9 | -178.5 | 176 | 0.5 | 106.9 | T31 | T31-R33 PolarHBondContact O-N 3.03Š| ||
| 34 | K | 51.9 | Low | 55.7 | Low | 195 Ų | 195 | 133.5 Ų | 133.5 | 85% | 0.848 | 67% | 0.667 | S | S | * | * | trans | -47.2 | 142.5 | 158.9 | -71.2 | 178.6 | 176 | 178.1 | 0 | 107.1 | K32 S36 | K32-K34 PolarHBondContact O-N 3.48Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.36Å | ||
| 35 | M | 54.2 | Low | 58.1 | Low | 196 Ų | 196 | 130.6 Ų | 130.6 | 97% | 0.966 | 65% | 0.649 | S | S | * | * | trans | -55.6 | 98.2 | 178.3 | -69.2 | -174.5 | 72.1 | 0 | 0 | 109.5 | L37 | M35-L37 PolarHBondContact O-N 3.18Š| ||
| 36 | S | 52.8 | Low | 60.8 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 62% | 0.622 | 63% | 0.631 | S | S | * | * | trans | -72.8 | 124.1 | 178.2 | 35.4 | 0 | 0 | 0 | 0 | 107.4 | K34 S38 | K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.36Å; S36-S38 PolarHBondContact O-N 3.35Å; S36-S38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | L | 55 | Low | 63.2 | Low | 79 Ų | 79 | 120.8 Ų | 120.8 | 41% | 0.414 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -48.1 | 120.7 | 158.3 | -80.8 | 158.5 | 0 | 0 | 0 | 106.6 | M35 K39 R53 | M35-L37 PolarHBondContact O-N 3.18Å; L37-K39 PolarHBondContact O-N 2.73Å; L37-K39 VanDerWaalsContact O-N 3.08Å; L37-R53 HydrophobicContact CD1-CB 4.4Å |
| 38 | S | 53.8 | Low | 65.4 | Low | 94 Ų | 94 | 117 Ų | 117 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.3 | 112.2 | -169.8 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | S36 S40 | S36-S38 PolarHBondContact O-N 3.35Å; S36-S38 VanDerWaalsContact O-N 3.08Å; S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 WeakPolarHBondContact O-CA 3.37Å; S38-S40 WeakPolarHBondContact O-CB 3.45Å; S38-S40 PolarHBondContact O-N 3.5Å; S38-S40 PolarHBondContact O-OG 3.28Å |
| 39 | K | 62.8 | Low | 67.8 | Low | 188 Ų | 188 | 114.9 Ų | 114.9 | 82% | 0.817 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -15 | 76.2 | -179.6 | -165.9 | -176.3 | -176.1 | -174.7 | 0 | 114.3 | L37 | L37-K39 PolarHBondContact O-N 2.73Å; L37-K39 VanDerWaalsContact O-N 3.08Å |
| 40 | S | 74.4 | Confident | 70.5 | Confident | 26 Ų | 26 | 107.1 Ų | 107.1 | 18% | 0.182 | 57% | 0.568 | C | S | . | * | trans | -124.1 | 129.7 | -173.2 | 40.1 | 0 | 0 | 0 | 0 | 108.8 | S38 A50 | S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 WeakPolarHBondContact O-CA 3.37Å; S38-S40 WeakPolarHBondContact O-CB 3.45Å; S38-S40 PolarHBondContact O-N 3.5Å; S38-S40 PolarHBondContact O-OG 3.28Å; S40-A50 WeakPolarHBondContact O-CB 3.41Å; S40-A50 PolarHBondContact O-N 3.33Å | ||
| 41 | S | 89.4 | Confident | 72.9 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | B | Isolated β-bridge | trans | -67.5 | 155.5 | 172.9 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | G43 | S41-G43 PolarHBondContact O-N 3.37Å |
| 42 | C | 92.7 | Very high | 75.1 | Confident | 1 Ų | 1 | 102.7 Ų | 102.7 | 1% | 0.007 | 54% | 0.544 | C | S | . | . | trans | -57.6 | 120.3 | 170.1 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | V44 C45 G46 E48 C62 | C42-V44 PolarHBondContact O-N 3.5Å; C42-C45 VanDerWaalsContact CB-SG 3.54Å; C42-C45 PolarHBondContact O-N 3.41Å; C42-G46 WeakPolarHBondContact O-CA 3.27Å; C42-G46 PolarHBondContact O-N 3.13Å; C42-E48 WeakPolarHBondContact CB-O 3.49Å; C42-E48 PolarHBondContact N-O 3.17Å; C42-C62 HydrophobicContact CB-CB 3.87Å; C42-C62 PolarHBondContact SG-N 3.23Å; C42-C62 VanDerWaalsContact SG-N 3.43Å; C42-C62 VanDerWaalsContact SG-SG 3.6Å | ||
| 43 | G | 88.1 | Confident | 77.3 | Confident | 71 Ų | 71 | 98.8 Ų | 98.8 | 73% | 0.732 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 4.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | S41 H60 | S41-G43 PolarHBondContact O-N 3.37Å; G43-H60 PolarHBondContact N-O 3.03Å |
| 44 | V | 91.1 | Very high | 79.2 | Confident | 37 Ų | 37 | 89 Ų | 89 | 22% | 0.224 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -37.7 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | C42 T61 C66 K69 H70 | C42-V44 PolarHBondContact O-N 3.5Å; V44-T61 HydrophobicContact CG2-CG2 3.9Å; V44-C66 HydrophobicContact CB-CB 3.96Å; V44-C66 HydrophobicContact CG1-CB 4.25Å; V44-C66 HydrophobicContact CG2-CB 4.2Å; V44-K69 HydrophobicContact CG1-CB 4.03Å; V44-K69 HydrophobicContact CG1-CD 3.62Å; V44-K69 HydrophobicContact CG1-CG 3.75Å; V44-H70 HydrophobicContact CG2-CB 3.68Å |
| 45 | C | 90.1 | Very high | 81.1 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -13.8 | -176.3 | 73 | 0 | 0 | 0 | 0 | 114.3 | C42 S47 C62 | C42-C45 VanDerWaalsContact CB-SG 3.54Å; C42-C45 PolarHBondContact O-N 3.41Å; C45-S47 PolarHBondContact O-N 2.68Å; C45-S47 PolarHBondContact SG-OG 2.56Å; C45-C62 PolarHBondContact SG-SG 3.26Å |
| 46 | G | 86.5 | Confident | 82.8 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 49% | 0.485 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 66 | -22.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | C42 | C42-G46 WeakPolarHBondContact O-CA 3.27Å; C42-G46 PolarHBondContact O-N 3.13Å |
| 47 | S | 84.6 | Confident | 84.6 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 69% | 0.692 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -77.4 | -36.6 | -166.5 | 56 | 0 | 0 | 0 | 0 | 115.6 | C45 | C45-S47 PolarHBondContact O-N 2.68Å; C45-S47 PolarHBondContact SG-OG 2.56Å |
| 48 | E | 86.9 | Confident | 86.3 | Confident | 89 Ų | 89 | 74.5 Ų | 74.5 | 42% | 0.416 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -112.8 | 152.4 | -179.8 | -74.7 | -173 | -158.6 | 0 | 0 | 111.8 | C42 K51 C62 | C42-E48 WeakPolarHBondContact CB-O 3.49Å; C42-E48 PolarHBondContact N-O 3.17Å; E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 3.1Å; E48-C62 HydrophobicContact CB-CB 3.56Å |
| 49 | E | 90.4 | Very high | 88 | Confident | 126 Ų | 126 | 72.3 Ų | 72.3 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | B | Isolated β-bridge | trans | -58.8 | 140.5 | 165.7 | -61.8 | -169 | 151.5 | 0 | 0 | 110.7 | C62 | E49-C62 WeakPolarHBondContact O-CB 3.45Å |
| 50 | A | 92 | Very high | 89.5 | Confident | 15 Ų | 15 | 65.4 Ų | 65.4 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | trans | -70.5 | 132.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | S40 H60 | S40-A50 WeakPolarHBondContact O-CB 3.41Å; S40-A50 PolarHBondContact O-N 3.33Å; A50-H60 HydrophobicContact CB-CB 3.59Å | ||
| 51 | K | 91.1 | Very high | 90.4 | Very high | 123 Ų | 123 | 64.2 Ų | 64.2 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | trans | -106.5 | -21.2 | -179.6 | -57 | -175.7 | -174.5 | 126.4 | 0 | 112.1 | E48 T61 C62 | E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 3.1Å; K51-T61 PolarHBondContact N-O 2.84Å; K51-C62 WeakPolarHBondContact CD-O 3.11Å | ||
| 52 | Y | 91.3 | Very high | 90.6 | Very high | 129 Ų | 129 | 61 Ų | 61 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.6 | -175.6 | -51.3 | -77.2 | 0 | 0 | 0 | 111.1 | H60 T61 V67 | Y52-H60 WeakPolarHBondContact O-CA 3.42Å; Y52-T61 PolarHBondContact N-O 3.4Å; Y52-T61 PolarHBondContact O-N 3.4Å; Y52-V67 HydrophobicContact CD2-CG2 4.41Å |
| 53 | R | 92.4 | Very high | 90.6 | Very high | 125 Ų | 125 | 62.8 Ų | 62.8 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.3 | 173.9 | -169.4 | 174.7 | -170.5 | -168.8 | 1.5 | 109.6 | L37 L58 S59 H60 | L37-R53 HydrophobicContact CD1-CB 4.4Å; R53-L58 WeakPolarHBondContact CG-O 3.17Å; R53-L58 PolarHBondContact NE-O 2.92Å; R53-S59 WeakPolarHBondContact CA-O 3.4Å; R53-H60 WeakPolarHBondContact CD-NE2 3.4Å; R53-H60 PolarHBondContact NE-NE2 3.49Å |
| 54 | C | 92.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | trans | -68.8 | 127.1 | 179 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | A56 C57 L58 S59 H70 | C54-A56 PolarHBondContact O-N 3.28Å; C54-C57 VanDerWaalsContact SG-SG 3.61Å; C54-L58 WeakPolarHBondContact O-CA 3.05Å; C54-L58 PolarHBondContact O-N 3.4Å; C54-S59 PolarHBondContact N-O 3.43Å; C54-H70 PolarHBondContact SG-NE2 3.22Å; C54-H70 VanDerWaalsContact SG-NE2 3.44Å | ||
| 55 | P | 90.9 | Very high | 91 | Very high | 71 Ų | 71 | 69.6 Ų | 69.6 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.6 | -176.6 | 32.9 | -37.6 | 0 | 0 | 0 | 113.5 | G78 R80 | P55-G78 VanDerWaalsContact CG-O 3.31Å; P55-G78 WeakPolarHBondContact CG-O 3.27Å; P55-R80 HydrophobicContact CB-CB 4.28Å; P55-R80 WeakPolarHBondContact O-CA 3.39Å; P55-R80 VanDerWaalsContact O-CB 3.3Å; P55-R80 WeakPolarHBondContact O-CB 3.35Å |
| 56 | A | 90.9 | Very high | 91.2 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -57.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C54 V79 | C54-A56 PolarHBondContact O-N 3.28Å; A56-V79 VanDerWaalsContact CB-O 3.31Å; A56-V79 WeakPolarHBondContact CB-O 3.41Å |
| 57 | C | 89.3 | Confident | 91.5 | Very high | 56 Ų | 56 | 66.7 Ų | 66.7 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 3.4 | -175.5 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | C54 S59 | C54-C57 VanDerWaalsContact SG-SG 3.61Å; C57-S59 PolarHBondContact O-N 3.38Å; C57-S59 PolarHBondContact SG-OG 3.02Å |
| 58 | L | 90.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 67.8 Ų | 67.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | trans | 62.5 | 6.4 | 179.6 | -54.2 | 178.5 | 0 | 0 | 0 | 115.9 | R53 C54 | R53-L58 WeakPolarHBondContact CG-O 3.17Å; R53-L58 PolarHBondContact NE-O 2.92Å; C54-L58 WeakPolarHBondContact O-CA 3.05Å; C54-L58 PolarHBondContact O-N 3.4Å | ||
| 59 | S | 90.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | trans | -58.9 | 136.4 | 177 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | R53 C54 C57 | R53-S59 WeakPolarHBondContact CA-O 3.4Å; C54-S59 PolarHBondContact N-O 3.43Å; C57-S59 PolarHBondContact O-N 3.38Å; C57-S59 PolarHBondContact SG-OG 3.02Å | ||
| 60 | H | 93.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131 | -178.6 | -66 | 134.4 | 0 | 0 | 0 | 111.6 | G43 A50 Y52 R53 | G43-H60 PolarHBondContact N-O 3.03Å; A50-H60 HydrophobicContact CB-CB 3.59Å; Y52-H60 WeakPolarHBondContact O-CA 3.42Å; R53-H60 WeakPolarHBondContact CD-NE2 3.4Å; R53-H60 PolarHBondContact NE-NE2 3.49Å |
| 61 | T | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145.6 | -174.9 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | V44 K51 Y52 C66 V67 | V44-T61 HydrophobicContact CG2-CG2 3.9Å; K51-T61 PolarHBondContact N-O 2.84Å; Y52-T61 PolarHBondContact N-O 3.4Å; Y52-T61 PolarHBondContact O-N 3.4Å; T61-C66 HydrophobicContact CG2-CB 3.96Å; T61-V67 VanDerWaalsContact OG1-CG2 3.3Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.01Å |
| 62 | C | 93.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -91.3 | -26.7 | -178.2 | 60.9 | 0 | 0 | 0 | 0 | 114.7 | C42 C45 E48 E49 K51 C66 | C42-C62 HydrophobicContact CB-CB 3.87Å; C42-C62 PolarHBondContact SG-N 3.23Å; C42-C62 VanDerWaalsContact SG-N 3.43Å; C42-C62 VanDerWaalsContact SG-SG 3.6Å; C45-C62 PolarHBondContact SG-SG 3.26Å; E48-C62 HydrophobicContact CB-CB 3.56Å; E49-C62 WeakPolarHBondContact O-CB 3.45Å; K51-C62 WeakPolarHBondContact CD-O 3.11Å; C62-C66 VanDerWaalsContact SG-SG 3.63Å |
| 63 | S | 92.9 | Very high | 92.7 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -147.7 | 163.3 | -169.9 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | L65 C66 V67 | S63-L65 PolarHBondContact O-N 3.12Å; S63-C66 WeakPolarHBondContact O-CB 3.35Å; S63-C66 PolarHBondContact O-N 2.92Å; S63-C66 PolarHBondContact OG-N 3.05Å; S63-V67 WeakPolarHBondContact O-CG2 3.26Å; S63-V67 PolarHBondContact O-N 3.04Å |
| 64 | L | 93.6 | Very high | 92.5 | Very high | 114 Ų | 114 | 63 Ų | 63 | 60% | 0.597 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.1 | -33.3 | 177.6 | -178.1 | 62.2 | 0 | 0 | 0 | 112.7 | V67 K68 | L64-V67 HydrophobicContact CD1-CB 4.49Å; L64-V67 PolarHBondContact O-N 3.41Å; L64-K68 PolarHBondContact O-N 2.99Å |
| 65 | L | 94 | Very high | 92.4 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 72% | 0.723 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 174.8 | -63.3 | 178.6 | 0 | 0 | 0 | 111.3 | S63 K68 K69 | S63-L65 PolarHBondContact O-N 3.12Å; L65-K68 PolarHBondContact O-N 3.07Å; L65-K69 VanDerWaalsContact O-CB 3.27Å; L65-K69 WeakPolarHBondContact O-CB 3.42Å; L65-K69 PolarHBondContact O-N 3.31Å |
| 66 | C | 94.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.5 | -33 | 173.6 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | V44 T61 C62 S63 H70 | V44-C66 HydrophobicContact CB-CB 3.96Å; V44-C66 HydrophobicContact CG1-CB 4.25Å; V44-C66 HydrophobicContact CG2-CB 4.2Å; T61-C66 HydrophobicContact CG2-CB 3.96Å; C62-C66 VanDerWaalsContact SG-SG 3.63Å; S63-C66 WeakPolarHBondContact O-CB 3.35Å; S63-C66 PolarHBondContact O-N 2.92Å; S63-C66 PolarHBondContact OG-N 3.05Å; C66-H70 PolarHBondContact O-N 2.99Å; C66-H70 PolarHBondContact O-ND1 3.29Å; C66-H70 VanDerWaalsContact O-ND1 3.14Å |
| 67 | V | 93.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 172.9 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | Y52 T61 S63 L64 H70 K71 | Y52-V67 HydrophobicContact CD2-CG2 4.41Å; T61-V67 VanDerWaalsContact OG1-CG2 3.3Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.01Å; S63-V67 WeakPolarHBondContact O-CG2 3.26Å; S63-V67 PolarHBondContact O-N 3.04Å; L64-V67 HydrophobicContact CD1-CB 4.49Å; L64-V67 PolarHBondContact O-N 3.41Å; V67-H70 WeakPolarHBondContact CA-ND1 3.37Å; V67-H70 PolarHBondContact O-CE1 3.48Å; V67-H70 PolarHBondContact O-ND1 3.29Å; V67-K71 WeakPolarHBondContact O-CG 3.26Å |
| 68 | K | 93.9 | Very high | 92.5 | Very high | 122 Ų | 122 | 63.3 Ų | 63.3 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.3 | -54.4 | 175 | -70.1 | -177.9 | 178.9 | -175.3 | 0 | 111.1 | L64 L65 H70 K71 D72 | L64-K68 PolarHBondContact O-N 2.99Å; L65-K68 PolarHBondContact O-N 3.07Å; K68-H70 PolarHBondContact O-N 3Å; K68-K71 WeakPolarHBondContact O-CA 3.43Å; K68-K71 WeakPolarHBondContact O-CB 3.36Å; K68-K71 PolarHBondContact O-N 2.88Å; K68-D72 PolarHBondContact O-N 2.74Å |
| 69 | K | 93.9 | Very high | 92.5 | Very high | 107 Ų | 107 | 64.2 Ų | 64.2 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.2 | -45.4 | -177.7 | 178 | 169.6 | 175.2 | -174 | 0 | 113.1 | V44 L65 K71 D72 D73 | V44-K69 HydrophobicContact CG1-CB 4.03Å; V44-K69 HydrophobicContact CG1-CD 3.62Å; V44-K69 HydrophobicContact CG1-CG 3.75Å; L65-K69 VanDerWaalsContact O-CB 3.27Å; L65-K69 WeakPolarHBondContact O-CB 3.42Å; L65-K69 PolarHBondContact O-N 3.31Å; K69-K71 VanDerWaalsContact C-N 3.31Å; K69-K71 PolarHBondContact O-N 3.22Å; K69-D72 PolarHBondContact O-N 3.14Å; K69-D73 WeakPolarHBondContact CE-OD2 3.28Å; K69-D73 WeakPolarHBondContact CG-OD2 3.48Å; K69-D73 VanDerWaalsContact O-CB 3.27Å; K69-D73 WeakPolarHBondContact O-CB 3.4Å; K69-D73 PolarHBondContact O-N 2.92Å |
| 70 | H | 93.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 69 Ų | 69 | 6% | 0.06 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 176.7 | 88.1 | -85.6 | 0 | 0 | 0 | 113.3 | V44 C54 C66 V67 K68 S74 | V44-H70 HydrophobicContact CG2-CB 3.68Å; C54-H70 PolarHBondContact SG-NE2 3.22Å; C54-H70 VanDerWaalsContact SG-NE2 3.44Å; C66-H70 PolarHBondContact O-N 2.99Å; C66-H70 PolarHBondContact O-ND1 3.29Å; C66-H70 VanDerWaalsContact O-ND1 3.14Å; V67-H70 WeakPolarHBondContact CA-ND1 3.37Å; V67-H70 PolarHBondContact O-CE1 3.48Å; V67-H70 PolarHBondContact O-ND1 3.29Å; K68-H70 PolarHBondContact O-N 3Å; H70-S74 VanDerWaalsContact O-CB 3.31Å; H70-S74 WeakPolarHBondContact O-CB 3.24Å; H70-S74 PolarHBondContact O-N 2.94Å; H70-S74 PolarHBondContact O-OG 2.89Å |
| 71 | K | 94.4 | Very high | 92.2 | Very high | 70 Ų | 70 | 71.6 Ų | 71.6 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 176.6 | -71.6 | -174.5 | 178.2 | -151.2 | 0 | 111 | V67 K68 K69 G75 C76 S77 | V67-K71 WeakPolarHBondContact O-CG 3.26Å; K68-K71 WeakPolarHBondContact O-CA 3.43Å; K68-K71 WeakPolarHBondContact O-CB 3.36Å; K68-K71 PolarHBondContact O-N 2.88Å; K69-K71 VanDerWaalsContact C-N 3.31Å; K69-K71 PolarHBondContact O-N 3.22Å; K71-G75 CarbonylContact O-C 3.44Å; K71-G75 VanDerWaalsContact O-CA 3.24Å; K71-G75 WeakPolarHBondContact O-CA 3.46Å; K71-G75 PolarHBondContact O-N 2.86Å; K71-C76 WeakPolarHBondContact CB-O 3.44Å; K71-C76 VanDerWaalsContact CG-O 3.27Å; K71-C76 WeakPolarHBondContact CG-O 3.41Å; K71-C76 PolarHBondContact O-N 3.28Å; K71-S77 PolarHBondContact NZ-O 3.03Å |
| 72 | D | 94.3 | Very high | 91.9 | Very high | 126 Ų | 126 | 76.1 Ų | 76.1 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.7 | -49.4 | 177.6 | -55.8 | -36.8 | 0 | 0 | 0 | 110.6 | K68 K69 S74 | K68-D72 PolarHBondContact O-N 2.74Å; K69-D72 PolarHBondContact O-N 3.14Å; D72-S74 PolarHBondContact O-N 2.83Å |
| 73 | D | 91.7 | Very high | 91.7 | Very high | 116 Ų | 116 | 80.4 Ų | 80.4 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.8 | -35 | -178.9 | -67.4 | -13.3 | 0 | 0 | 0 | 113.3 | K69 | K69-D73 WeakPolarHBondContact CE-OD2 3.28Å; K69-D73 WeakPolarHBondContact CG-OD2 3.48Å; K69-D73 VanDerWaalsContact O-CB 3.27Å; K69-D73 WeakPolarHBondContact O-CB 3.4Å; K69-D73 PolarHBondContact O-N 2.92Å |
| 74 | S | 88.6 | Confident | 91.5 | Very high | 76 Ų | 76 | 81.3 Ų | 81.3 | 53% | 0.531 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -106.6 | 3.2 | -177.2 | 70.5 | 0 | 0 | 0 | 0 | 115 | H70 D72 C76 | H70-S74 VanDerWaalsContact O-CB 3.31Å; H70-S74 WeakPolarHBondContact O-CB 3.24Å; H70-S74 PolarHBondContact O-N 2.94Å; H70-S74 PolarHBondContact O-OG 2.89Å; D72-S74 PolarHBondContact O-N 2.83Å; S74-C76 PolarHBondContact O-N 2.87Å; S74-C76 VanDerWaalsContact OG-CB 3.31Å; S74-C76 WeakPolarHBondContact OG-CB 3.46Å |
| 75 | G | 90.8 | Very high | 91.4 | Very high | 69 Ų | 69 | 84.8 Ų | 84.8 | 71% | 0.711 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 21.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K71 | K71-G75 CarbonylContact O-C 3.44Å; K71-G75 VanDerWaalsContact O-CA 3.24Å; K71-G75 WeakPolarHBondContact O-CA 3.46Å; K71-G75 PolarHBondContact O-N 2.86Å |
| 76 | C | 92.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 80.7 Ų | 80.7 | 14% | 0.135 | 44% | 0.444 | C | S | . | . | trans | -80.3 | 123.6 | -170.5 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | K71 S74 G78 | K71-C76 WeakPolarHBondContact CB-O 3.44Å; K71-C76 VanDerWaalsContact CG-O 3.27Å; K71-C76 WeakPolarHBondContact CG-O 3.41Å; K71-C76 PolarHBondContact O-N 3.28Å; S74-C76 PolarHBondContact O-N 2.87Å; S74-C76 VanDerWaalsContact OG-CB 3.31Å; S74-C76 WeakPolarHBondContact OG-CB 3.46Å; C76-G78 PolarHBondContact O-N 3.41Å; C76-G78 PolarHBondContact SG-N 2.78Å; C76-G78 VanDerWaalsContact SG-N 3.38Å | ||
| 77 | S | 90.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 83.2 Ų | 83.2 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | trans | -58.3 | -33.1 | 174.3 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | K71 V79 | K71-S77 PolarHBondContact NZ-O 3.03Å; S77-V79 PolarHBondContact O-N 2.95Å; S77-V79 PolarHBondContact OG-N 3.34Å | ||
| 78 | G | 89.2 | Confident | 91.2 | Very high | 12 Ų | 12 | 89.5 Ų | 89.5 | 12% | 0.124 | 49% | 0.491 | C | S | . | . | trans | 69.5 | 18.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | P55 C76 | P55-G78 VanDerWaalsContact CG-O 3.31Å; P55-G78 WeakPolarHBondContact CG-O 3.27Å; C76-G78 PolarHBondContact O-N 3.41Å; C76-G78 PolarHBondContact SG-N 2.78Å; C76-G78 VanDerWaalsContact SG-N 3.38Å | ||
| 79 | V | 90.6 | Very high | 91.2 | Very high | 105 Ų | 105 | 88.5 Ų | 88.5 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -108.8 | 128.2 | 171.3 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | A56 S77 N81 | A56-V79 VanDerWaalsContact CB-O 3.31Å; A56-V79 WeakPolarHBondContact CB-O 3.41Å; S77-V79 PolarHBondContact O-N 2.95Å; S77-V79 PolarHBondContact OG-N 3.34Å; V79-N81 PolarHBondContact O-N 3.49Å |
| 80 | R | 89.8 | Confident | 91.1 | Very high | 148 Ų | 148 | 90 Ų | 90 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | trans | -59.8 | 129.2 | 176.4 | -179.1 | 176.5 | 170.5 | 117.7 | -6.5 | 109.8 | P55 K82 | P55-R80 HydrophobicContact CB-CB 4.28Å; P55-R80 WeakPolarHBondContact O-CA 3.39Å; P55-R80 VanDerWaalsContact O-CB 3.3Å; P55-R80 WeakPolarHBondContact O-CB 3.35Å; R80-K82 PolarHBondContact O-N 3.24Å | ||
| 81 | N | 87.7 | Confident | 91 | Very high | 98 Ų | 98 | 93.5 Ų | 93.5 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | trans | -69.4 | 103.3 | 167.4 | -173.2 | -4.3 | 0 | 0 | 0 | 108.8 | V79 T83 A84 | V79-N81 PolarHBondContact O-N 3.49Å; N81-T83 VanDerWaalsContact C-N 3.25Å; N81-T83 PolarHBondContact O-N 3.19Å; N81-T83 PolarHBondContact OD1-N 3.29Å; N81-T83 PolarHBondContact OD1-OG1 2.79Å; N81-A84 HydrophobicContact CB-CB 4.35Å; N81-A84 PolarHBondContact OD1-N 3.35Å | ||
| 82 | K | 87.8 | Confident | 91 | Very high | 96 Ų | 96 | 94 Ų | 94 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.9 | 177.4 | -70.5 | -168.7 | -179 | -179.8 | 0 | 112.6 | R80 F102 D105 | R80-K82 PolarHBondContact O-N 3.24Å; K82-F102 HydrophobicContact CB-CD2 4.03Å; K82-F102 HydrophobicContact CB-CE2 4.46Å; K82-F102 HydrophobicContact CD-CD2 3.67Å; K82-F102 HydrophobicContact CD-CE2 4.42Å; K82-F102 HydrophobicContact CD-CG 4.48Å; K82-D105 IonicContact NZ-OD2 2.61Å; K82-D105 PolarHBondContact NZ-OD2 3.05Å |
| 83 | T | 88.8 | Confident | 91 | Very high | 97 Ų | 97 | 95 Ų | 95 | 60% | 0.595 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 35 | -175.1 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | N81 F102 | N81-T83 VanDerWaalsContact C-N 3.25Å; N81-T83 PolarHBondContact O-N 3.19Å; N81-T83 PolarHBondContact OD1-N 3.29Å; N81-T83 PolarHBondContact OD1-OG1 2.79Å; T83-F102 HydrophobicContact CG2-CE1 3.89Å; T83-F102 HydrophobicContact CG2-CE2 4.25Å; T83-F102 HydrophobicContact CG2-CZ 3.69Å |
| 84 | A | 89 | Confident | 91 | Very high | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | trans | -70.5 | 132.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | N81 V86 | N81-A84 HydrophobicContact CB-CB 4.35Å; N81-A84 PolarHBondContact OD1-N 3.35Å; A84-V86 PolarHBondContact O-N 3.14Å | ||
| 85 | F | 91 | Very high | 91.1 | Very high | 187 Ų | 187 | 93.4 Ų | 93.4 | 82% | 0.82 | 51% | 0.513 | S | S | * | . | trans | -66.9 | 128 | 178.4 | 177.5 | -106.3 | 0 | 0 | 0 | 111 | T87 | F85-T87 HydrophobicContact CE1-CG2 3.88Š| ||
| 86 | V | 90.5 | Very high | 91.2 | Very high | 53 Ų | 53 | 94.6 Ų | 94.6 | 32% | 0.321 | 50% | 0.503 | S | S | . | . | trans | -116.7 | 128.1 | 173.7 | -178.6 | 0 | 0 | 0 | 0 | 108 | A84 H90 F91 T95 | A84-V86 PolarHBondContact O-N 3.14Å; V86-H90 HydrophobicContact CG1-CB 4.02Å; V86-H90 WeakPolarHBondContact CG1-O 3.49Å; V86-F91 HydrophobicContact CG1-CB 4.49Å; V86-T95 HydrophobicContact CB-CG2 4.23Å; V86-T95 HydrophobicContact CG1-CG2 4.37Å; V86-T95 HydrophobicContact CG2-CG2 3.95Å | ||
| 87 | T | 94 | Very high | 91.3 | Very high | 62 Ų | 62 | 96.8 Ų | 96.8 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | trans | -68.3 | 149.3 | 175.7 | 67.5 | 0 | 0 | 0 | 0 | 110.5 | F85 S89 H90 F91 | F85-T87 HydrophobicContact CE1-CG2 3.88Å; T87-S89 PolarHBondContact O-N 3.17Å; T87-S89 PolarHBondContact OG1-OG 3.29Å; T87-S89 VanDerWaalsContact OG1-OG 3.08Å; T87-H90 CarbonylContact O-C 3.53Å; T87-H90 PolarHBondContact O-N 3.43Å; T87-H90 PolarHBondContact OG1-ND1 3.1Å; T87-F91 PolarHBondContact O-N 3.17Å; T87-F91 VanDerWaalsContact O-N 3.13Å | ||
| 88 | L | 91.9 | Very high | 91.3 | Very high | 165 Ų | 165 | 94.5 Ų | 94.5 | 86% | 0.864 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -55.1 | -29.4 | 179.6 | -67.4 | 174.3 | 0 | 0 | 0 | 113.6 | H90 F91 | L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 3.37Å; L88-F91 PolarHBondContact O-N 2.86Å |
| 89 | S | 94.3 | Very high | 91.4 | Very high | 102 Ų | 102 | 96.8 Ų | 96.8 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -72.5 | -17.2 | 177 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | T87 | T87-S89 PolarHBondContact O-N 3.17Å; T87-S89 PolarHBondContact OG1-OG 3.29Å; T87-S89 VanDerWaalsContact OG1-OG 3.08Å |
| 90 | H | 91 | Very high | 91.6 | Very high | 138 Ų | 138 | 98.1 Ų | 98.1 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -114.4 | 7.4 | 178.4 | -67.1 | 57.2 | 0 | 0 | 0 | 111.9 | V86 T87 L88 D92 | V86-H90 HydrophobicContact CG1-CB 4.02Å; V86-H90 WeakPolarHBondContact CG1-O 3.49Å; T87-H90 CarbonylContact O-C 3.53Å; T87-H90 PolarHBondContact O-N 3.43Å; T87-H90 PolarHBondContact OG1-ND1 3.1Å; L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 3.37Å; H90-D92 PolarHBondContact O-N 2.98Å |
| 91 | F | 92.9 | Very high | 91.8 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 38% | 0.382 | 50% | 0.503 | S | S | . | . | trans | -79.6 | 102.6 | 179.2 | -173.1 | -94.6 | 0 | 0 | 0 | 109.6 | V86 T87 L88 T95 L96 | V86-F91 HydrophobicContact CG1-CB 4.49Å; T87-F91 PolarHBondContact O-N 3.17Å; T87-F91 VanDerWaalsContact O-N 3.13Å; L88-F91 PolarHBondContact O-N 2.86Å; F91-T95 HydrophobicContact CD2-CG2 3.67Å; F91-T95 HydrophobicContact CE2-CG2 3.7Å; F91-L96 HydrophobicContact CE1-CB 3.98Å; F91-L96 HydrophobicContact CE1-CD1 4.27Å; F91-L96 HydrophobicContact CZ-CB 3.82Å; F91-L96 HydrophobicContact CZ-CD1 3.94Å; F91-L96 HydrophobicContact CZ-CG 4.47Å | ||
| 92 | D | 93.6 | Very high | 92.1 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | trans | -103.7 | 170.8 | -179.8 | 71.2 | -14.3 | 0 | 0 | 0 | 112.4 | H90 M94 T95 L96 | H90-D92 PolarHBondContact O-N 2.98Å; D92-M94 PolarHBondContact O-N 3Å; D92-T95 WeakPolarHBondContact O-CB 3.3Å; D92-T95 PolarHBondContact O-N 2.92Å; D92-T95 VanDerWaalsContact O-N 3.08Å; D92-T95 VanDerWaalsContact OD1-CB 3.23Å; D92-T95 WeakPolarHBondContact OD1-CB 3.14Å; D92-T95 PolarHBondContact OD1-N 3.5Å; D92-T95 PolarHBondContact OD1-OG1 3.29Å; D92-L96 PolarHBondContact O-N 2.87Å | ||
| 93 | E | 94.6 | Very high | 92.4 | Very high | 148 Ų | 148 | 98.2 Ų | 98.2 | 69% | 0.692 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59 | -30.1 | 177 | -171.4 | 177.7 | -174.7 | 0 | 0 | 112.1 | L96 L97 | E93-L96 PolarHBondContact O-N 3.1Å; E93-L97 HydrophobicContact CG-CD1 4.36Å; E93-L97 WeakPolarHBondContact O-CB 3.2Å; E93-L97 VanDerWaalsContact O-CG 3.27Å; E93-L97 WeakPolarHBondContact O-CG 3.42Å; E93-L97 PolarHBondContact O-N 2.84Å |
| 94 | M | 91.3 | Very high | 92.7 | Very high | 131 Ų | 131 | 96.6 Ų | 96.6 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -70 | -35.3 | 176.5 | -61.4 | -58.1 | -57.9 | 0 | 0 | 112.5 | D92 L97 S98 | D92-M94 PolarHBondContact O-N 3Å; M94-L97 HydrophobicContact SD-CD1 4.46Å; M94-S98 WeakPolarHBondContact O-CB 3.38Å; M94-S98 PolarHBondContact O-N 3.49Å |
| 95 | T | 90.7 | Very high | 92.9 | Very high | 27 Ų | 27 | 97.4 Ų | 97.4 | 17% | 0.166 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 172.1 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | V86 F91 D92 L97 S98 D99 | V86-T95 HydrophobicContact CB-CG2 4.23Å; V86-T95 HydrophobicContact CG1-CG2 4.37Å; V86-T95 HydrophobicContact CG2-CG2 3.95Å; F91-T95 HydrophobicContact CD2-CG2 3.67Å; F91-T95 HydrophobicContact CE2-CG2 3.7Å; D92-T95 WeakPolarHBondContact O-CB 3.3Å; D92-T95 PolarHBondContact O-N 2.92Å; D92-T95 VanDerWaalsContact O-N 3.08Å; D92-T95 VanDerWaalsContact OD1-CB 3.23Å; D92-T95 WeakPolarHBondContact OD1-CB 3.14Å; D92-T95 PolarHBondContact OD1-N 3.5Å; D92-T95 PolarHBondContact OD1-OG1 3.29Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 3.15Å; T95-S98 WeakPolarHBondContact O-CA 3.24Å; T95-S98 VanDerWaalsContact O-CB 3.29Å; T95-S98 WeakPolarHBondContact O-CB 3.48Å; T95-S98 PolarHBondContact O-N 2.82Å; T95-D99 PolarHBondContact O-N 2.94Å |
| 96 | L | 93.1 | Very high | 93 | Very high | 94 Ų | 94 | 91.7 Ų | 91.7 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.7 | -44.5 | 174.1 | 179.8 | 64.4 | 0 | 0 | 0 | 112.4 | F91 D92 E93 S98 D99 Y100 | F91-L96 HydrophobicContact CE1-CB 3.98Å; F91-L96 HydrophobicContact CE1-CD1 4.27Å; F91-L96 HydrophobicContact CZ-CB 3.82Å; F91-L96 HydrophobicContact CZ-CD1 3.94Å; F91-L96 HydrophobicContact CZ-CG 4.47Å; D92-L96 PolarHBondContact O-N 2.87Å; E93-L96 PolarHBondContact O-N 3.1Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-D99 PolarHBondContact O-N 3.35Å; L96-Y100 WeakPolarHBondContact O-CB 3.32Å; L96-Y100 PolarHBondContact O-N 2.79Å |
| 97 | L | 94 | Very high | 93.1 | Very high | 66 Ų | 66 | 90.6 Ų | 90.6 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.8 | -31.6 | 176 | -73.1 | 170.4 | 0 | 0 | 0 | 113 | E93 M94 T95 R101 | E93-L97 HydrophobicContact CG-CD1 4.36Å; E93-L97 WeakPolarHBondContact O-CB 3.2Å; E93-L97 VanDerWaalsContact O-CG 3.27Å; E93-L97 WeakPolarHBondContact O-CG 3.42Å; E93-L97 PolarHBondContact O-N 2.84Å; M94-L97 HydrophobicContact SD-CD1 4.46Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 3.15Å; L97-R101 WeakPolarHBondContact O-CB 3.43Å; L97-R101 WeakPolarHBondContact O-CD 3.48Å; L97-R101 VanDerWaalsContact O-CG 3.23Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 3.32Å |
| 98 | S | 90.9 | Very high | 93 | Very high | 33 Ų | 33 | 95.3 Ų | 95.3 | 23% | 0.231 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 172.7 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | M94 T95 L96 R101 F102 | M94-S98 WeakPolarHBondContact O-CB 3.38Å; M94-S98 PolarHBondContact O-N 3.49Å; T95-S98 WeakPolarHBondContact O-CA 3.24Å; T95-S98 VanDerWaalsContact O-CB 3.29Å; T95-S98 WeakPolarHBondContact O-CB 3.48Å; T95-S98 PolarHBondContact O-N 2.82Å; L96-S98 VanDerWaalsContact C-N 3.34Å; S98-R101 PolarHBondContact O-N 3.17Å; S98-F102 WeakPolarHBondContact O-CB 3.23Å; S98-F102 PolarHBondContact O-N 3.39Å |
| 99 | D | 92.4 | Very high | 92.9 | Very high | 60 Ų | 60 | 95.2 Ų | 95.2 | 32% | 0.321 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.7 | -43.1 | -178.5 | -68.3 | -6 | 0 | 0 | 0 | 111.5 | T95 L96 R101 F102 L103 | T95-D99 PolarHBondContact O-N 2.94Å; L96-D99 PolarHBondContact O-N 3.35Å; D99-R101 VanDerWaalsContact C-N 3.34Å; D99-R101 PolarHBondContact O-N 2.99Å; D99-F102 WeakPolarHBondContact O-CB 3.42Å; D99-F102 PolarHBondContact O-N 3.39Å; D99-F102 VanDerWaalsContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CG 3.39Å; D99-L103 PolarHBondContact O-N 2.99Å |
| 100 | Y | 94.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 92.7 Ų | 92.7 | 52% | 0.522 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.8 | -47.3 | 173 | 176.4 | -92.6 | 0 | 0 | 0 | 111.8 | L96 F102 L103 E104 | L96-Y100 WeakPolarHBondContact O-CB 3.32Å; L96-Y100 PolarHBondContact O-N 2.79Å; Y100-F102 VanDerWaalsContact C-N 3.34Å; Y100-F102 PolarHBondContact O-N 3.13Å; Y100-L103 PolarHBondContact O-N 2.77Å; Y100-E104 HydrophobicContact CD1-CG 4.48Å; Y100-E104 HydrophobicContact CE1-CG 3.84Å; Y100-E104 WeakPolarHBondContact CE1-OE1 3.19Å; Y100-E104 PolarHBondContact O-N 3.19Å; Y100-E104 PolarHBondContact OH-OE1 2.8Å |
| 101 | R | 94.1 | Very high | 92.4 | Very high | 162 Ų | 162 | 90.8 Ų | 90.8 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | 176.5 | -72.4 | 172.7 | -176 | -179.5 | 3.9 | 112.6 | L97 S98 D99 E104 D105 | L97-R101 WeakPolarHBondContact O-CB 3.43Å; L97-R101 WeakPolarHBondContact O-CD 3.48Å; L97-R101 VanDerWaalsContact O-CG 3.23Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 3.32Å; S98-R101 PolarHBondContact O-N 3.17Å; D99-R101 VanDerWaalsContact C-N 3.34Å; D99-R101 PolarHBondContact O-N 2.99Å; R101-E104 PolarHBondContact O-N 3.08Å; R101-D105 WeakPolarHBondContact O-CB 3.23Å; R101-D105 VanDerWaalsContact O-CG 3.29Å; R101-D105 PolarHBondContact O-N 3.46Å |
| 102 | F | 93.1 | Very high | 92.1 | Very high | 65 Ų | 65 | 88.6 Ų | 88.6 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 174.1 | 169.6 | -110.1 | 0 | 0 | 0 | 112 | K82 T83 S98 D99 Y100 D105 T106 | K82-F102 HydrophobicContact CB-CD2 4.03Å; K82-F102 HydrophobicContact CB-CE2 4.46Å; K82-F102 HydrophobicContact CD-CD2 3.67Å; K82-F102 HydrophobicContact CD-CE2 4.42Å; K82-F102 HydrophobicContact CD-CG 4.48Å; T83-F102 HydrophobicContact CG2-CE1 3.89Å; T83-F102 HydrophobicContact CG2-CE2 4.25Å; T83-F102 HydrophobicContact CG2-CZ 3.69Å; S98-F102 WeakPolarHBondContact O-CB 3.23Å; S98-F102 PolarHBondContact O-N 3.39Å; D99-F102 WeakPolarHBondContact O-CB 3.42Å; D99-F102 PolarHBondContact O-N 3.39Å; D99-F102 VanDerWaalsContact O-N 3.13Å; Y100-F102 VanDerWaalsContact C-N 3.34Å; Y100-F102 PolarHBondContact O-N 3.13Å; F102-D105 PolarHBondContact O-N 2.91Å; F102-T106 WeakPolarHBondContact O-CB 3.38Å; F102-T106 PolarHBondContact O-N 3.09Å; F102-T106 PolarHBondContact O-OG1 2.91Å |
| 103 | L | 94.6 | Very high | 91.5 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 62% | 0.618 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | 173.6 | -66.9 | 175.9 | 0 | 0 | 0 | 111.8 | D99 Y100 T106 G107 | D99-L103 WeakPolarHBondContact O-CG 3.39Å; D99-L103 PolarHBondContact O-N 2.99Å; Y100-L103 PolarHBondContact O-N 2.77Å; L103-T106 PolarHBondContact O-N 2.69Å; L103-G107 PolarHBondContact O-N 3.15Å |
| 104 | E | 95.4 | Very high | 90.9 | Very high | 63 Ų | 63 | 82.7 Ų | 82.7 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 171.3 | -81.8 | -159.1 | -175.1 | 0 | 0 | 112.4 | Y100 R101 T106 G107 R108 | Y100-E104 HydrophobicContact CD1-CG 4.48Å; Y100-E104 HydrophobicContact CE1-CG 3.84Å; Y100-E104 WeakPolarHBondContact CE1-OE1 3.19Å; Y100-E104 PolarHBondContact O-N 3.19Å; Y100-E104 PolarHBondContact OH-OE1 2.8Å; R101-E104 PolarHBondContact O-N 3.08Å; E104-T106 VanDerWaalsContact C-N 3.26Å; E104-T106 PolarHBondContact O-N 2.89Å; E104-G107 PolarHBondContact O-N 3.4Å; E104-R108 WeakPolarHBondContact O-CB 3.48Å; E104-R108 VanDerWaalsContact O-CG 3.24Å; E104-R108 WeakPolarHBondContact O-CG 3.11Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE2-CZ 3.59Å; E104-R108 IonicContact OE2-NE 3.71Å; E104-R108 IonicContact OE2-NH2 2.69Å; E104-R108 PolarHBondContact OE2-NH2 3.23Å |
| 105 | D | 92.9 | Very high | 90.3 | Very high | 73 Ų | 73 | 86.5 Ų | 86.5 | 39% | 0.39 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.9 | -42.6 | 177.1 | -79.7 | -17.9 | 0 | 0 | 0 | 110.9 | K82 R101 F102 F109 | K82-D105 IonicContact NZ-OD2 2.61Å; K82-D105 PolarHBondContact NZ-OD2 3.05Å; R101-D105 WeakPolarHBondContact O-CB 3.23Å; R101-D105 VanDerWaalsContact O-CG 3.29Å; R101-D105 PolarHBondContact O-N 3.46Å; F102-D105 PolarHBondContact O-N 2.91Å; D105-F109 WeakPolarHBondContact O-CB 3.44Å; D105-F109 PolarHBondContact O-N 2.78Å |
| 106 | T | 92.7 | Very high | 89.7 | Confident | 66 Ų | 66 | 88.1 Ų | 88.1 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 178.9 | -57 | 0 | 0 | 0 | 0 | 111.4 | F102 L103 E104 F109 A110 | F102-T106 WeakPolarHBondContact O-CB 3.38Å; F102-T106 PolarHBondContact O-N 3.09Å; F102-T106 PolarHBondContact O-OG1 2.91Å; L103-T106 PolarHBondContact O-N 2.69Å; E104-T106 VanDerWaalsContact C-N 3.26Å; E104-T106 PolarHBondContact O-N 2.89Å; T106-F109 PolarHBondContact O-N 2.71Å; T106-A110 WeakPolarHBondContact O-CB 3.39Å; T106-A110 PolarHBondContact O-N 3.44Å |
| 107 | G | 93.2 | Very high | 88.5 | Confident | 30 Ų | 30 | 88.9 Ų | 88.9 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L103 E104 F109 A110 D111 | L103-G107 PolarHBondContact O-N 3.15Å; E104-G107 PolarHBondContact O-N 3.4Å; G107-F109 VanDerWaalsContact C-N 3.27Å; G107-F109 PolarHBondContact O-N 3.41Å; G107-A110 PolarHBondContact O-N 2.59Å; G107-A110 VanDerWaalsContact O-N 3.11Å; G107-D111 WeakPolarHBondContact O-CB 3.23Å; G107-D111 PolarHBondContact O-N 3.39Å |
| 108 | R | 92.3 | Very high | 87.2 | Confident | 161 Ų | 161 | 91.1 Ų | 91.1 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.6 | -36.4 | 176.2 | -67.6 | 169.6 | -165.6 | -143.2 | 8.5 | 112.6 | E104 G112 | E104-R108 WeakPolarHBondContact O-CB 3.48Å; E104-R108 VanDerWaalsContact O-CG 3.24Å; E104-R108 WeakPolarHBondContact O-CG 3.11Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE2-CZ 3.59Å; E104-R108 IonicContact OE2-NE 3.71Å; E104-R108 IonicContact OE2-NH2 2.69Å; E104-R108 PolarHBondContact OE2-NH2 3.23Å; R108-G112 PolarHBondContact O-N 3.03Å |
| 109 | F | 88.9 | Confident | 86.1 | Confident | 164 Ų | 164 | 94.3 Ų | 94.3 | 72% | 0.719 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69 | -43.1 | 175.2 | -178.1 | -95.6 | 0 | 0 | 0 | 112 | D105 T106 G107 G112 A113 | D105-F109 WeakPolarHBondContact O-CB 3.44Å; D105-F109 PolarHBondContact O-N 2.78Å; T106-F109 PolarHBondContact O-N 2.71Å; G107-F109 VanDerWaalsContact C-N 3.27Å; G107-F109 PolarHBondContact O-N 3.41Å; F109-G112 PolarHBondContact O-N 2.79Å; F109-A113 WeakPolarHBondContact O-CB 3.4Å; F109-A113 PolarHBondContact O-N 3.35Å |
| 110 | A | 88.8 | Confident | 84.8 | Confident | 48 Ų | 48 | 97.1 Ų | 97.1 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T106 G107 G112 A113 T114 | T106-A110 WeakPolarHBondContact O-CB 3.39Å; T106-A110 PolarHBondContact O-N 3.44Å; G107-A110 PolarHBondContact O-N 2.59Å; G107-A110 VanDerWaalsContact O-N 3.11Å; A110-G112 VanDerWaalsContact C-N 3.35Å; A110-A113 PolarHBondContact O-N 3.01Å; A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 WeakPolarHBondContact O-CG2 3.26Å; A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.83Å |
| 111 | D | 87.4 | Confident | 83.2 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.7 | -73 | -12.7 | 0 | 0 | 0 | 111.5 | G107 T114 R115 | G107-D111 WeakPolarHBondContact O-CB 3.23Å; G107-D111 PolarHBondContact O-N 3.39Å; D111-T114 WeakPolarHBondContact CA-OG1 3.34Å; D111-T114 PolarHBondContact O-N 3.49Å; D111-T114 PolarHBondContact O-OG1 2.86Å; D111-R115 VanDerWaalsContact O-CB 3.31Å; D111-R115 WeakPolarHBondContact O-CB 3.29Å; D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.5Å; D111-R115 PolarHBondContact O-N 2.94Å |
| 112 | G | 85.3 | Confident | 81.7 | Confident | 40 Ų | 40 | 89.1 Ų | 89.1 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R108 F109 A110 T114 R115 D116 | R108-G112 PolarHBondContact O-N 3.03Å; F109-G112 PolarHBondContact O-N 2.79Å; A110-G112 VanDerWaalsContact C-N 3.35Å; G112-T114 PolarHBondContact O-N 2.89Å; G112-R115 CarbonylContact O-C 3.56Å; G112-R115 PolarHBondContact O-N 2.83Å; G112-R115 VanDerWaalsContact O-N 3.15Å; G112-D116 PolarHBondContact O-N 2.85Å |
| 113 | A | 82.3 | Confident | 80.4 | Confident | 29 Ų | 29 | 94.6 Ų | 94.6 | 24% | 0.24 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.5 | -32.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F109 A110 R115 I119 | F109-A113 WeakPolarHBondContact O-CB 3.4Å; F109-A113 PolarHBondContact O-N 3.35Å; A110-A113 PolarHBondContact O-N 3.01Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-I119 HydrophobicContact CB-CD1 3.97Å; A113-I119 WeakPolarHBondContact O-CB 3.48Å; A113-I119 WeakPolarHBondContact O-CG2 3.48Å |
| 114 | T | 80.6 | Confident | 79.4 | Confident | 75 Ų | 75 | 92.8 Ų | 92.8 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -80.9 | -11.3 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | A110 D111 G112 Q120 | A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 WeakPolarHBondContact O-CG2 3.26Å; A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.83Å; D111-T114 WeakPolarHBondContact CA-OG1 3.34Å; D111-T114 PolarHBondContact O-N 3.49Å; D111-T114 PolarHBondContact O-OG1 2.86Å; G112-T114 PolarHBondContact O-N 2.89Å; T114-Q120 WeakPolarHBondContact O-CG 3.39Å; T114-Q120 PolarHBondContact O-NE2 2.92Å |
| 115 | R | 80.4 | Confident | 78.8 | Confident | 210 Ų | 210 | 93.2 Ų | 93.2 | 79% | 0.792 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -99 | -8.6 | 170.3 | -74.3 | 174.1 | 161.4 | -164.6 | -5.4 | 113.7 | D111 G112 A113 D117 | D111-R115 VanDerWaalsContact O-CB 3.31Å; D111-R115 WeakPolarHBondContact O-CB 3.29Å; D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.5Å; D111-R115 PolarHBondContact O-N 2.94Å; G112-R115 CarbonylContact O-C 3.56Å; G112-R115 PolarHBondContact O-N 2.83Å; G112-R115 VanDerWaalsContact O-N 3.15Å; A113-R115 VanDerWaalsContact C-N 3.32Å; R115-D117 PolarHBondContact O-N 3.24Å |
| 116 | D | 77.4 | Confident | 78.4 | Confident | 62 Ų | 62 | 96 Ų | 96 | 33% | 0.332 | 51% | 0.509 | S | S | . | . | trans | -73.9 | 110.1 | 174.4 | -171.5 | -16.7 | 0 | 0 | 0 | 109.8 | G112 L118 I119 Q120 | G112-D116 PolarHBondContact O-N 2.85Å; D116-L118 PolarHBondContact O-N 2.88Å; D116-L118 VanDerWaalsContact O-N 3.11Å; D116-L118 WeakPolarHBondContact OD1-CB 3.41Å; D116-L118 WeakPolarHBondContact OD1-CG 3.37Å; D116-L118 PolarHBondContact OD1-N 3.18Å; D116-I119 HydrophobicContact CB-CB 4.23Å; D116-I119 HydrophobicContact CB-CD1 3.99Å; D116-I119 HydrophobicContact CB-CG1 4Å; D116-I119 WeakPolarHBondContact O-CA 3.49Å; D116-I119 PolarHBondContact O-N 3.27Å; D116-Q120 PolarHBondContact O-N 2.67Å | ||
| 117 | D | 67.8 | Low | 78.2 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -52.7 | -29.2 | 175.6 | -79.3 | -14.7 | 0 | 0 | 0 | 113 | R115 I119 A121 | R115-D117 PolarHBondContact O-N 3.24Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 2.75Å; D117-A121 CarbonylContact O-C 3.59Å; D117-A121 PolarHBondContact O-N 2.93Å |
| 118 | L | 66.1 | Low | 78 | Confident | 112 Ų | 112 | 96.7 Ų | 96.7 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.3 | -25.1 | 178.1 | -55.3 | 177.4 | 0 | 0 | 0 | 112.3 | D116 | D116-L118 PolarHBondContact O-N 2.88Å; D116-L118 VanDerWaalsContact O-N 3.11Å; D116-L118 WeakPolarHBondContact OD1-CB 3.41Å; D116-L118 WeakPolarHBondContact OD1-CG 3.37Å; D116-L118 PolarHBondContact OD1-N 3.18Å |
| 119 | I | 67.9 | Low | 77.9 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -93.8 | -45.2 | -179.9 | -60.6 | -178.6 | 0 | 0 | 0 | 110.7 | A113 D116 D117 | A113-I119 HydrophobicContact CB-CD1 3.97Å; A113-I119 WeakPolarHBondContact O-CB 3.48Å; A113-I119 WeakPolarHBondContact O-CG2 3.48Å; D116-I119 HydrophobicContact CB-CB 4.23Å; D116-I119 HydrophobicContact CB-CD1 3.99Å; D116-I119 HydrophobicContact CB-CG1 4Å; D116-I119 WeakPolarHBondContact O-CA 3.49Å; D116-I119 PolarHBondContact O-N 3.27Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 2.75Å |
| 120 | Q | 64.9 | Low | 78.1 | Confident | 119 Ų | 119 | 93.8 Ų | 93.8 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.6 | -49.1 | -179.2 | -81.3 | -68.4 | -4.1 | 0 | 0 | 113.1 | T114 D116 P122 | T114-Q120 WeakPolarHBondContact O-CG 3.39Å; T114-Q120 PolarHBondContact O-NE2 2.92Å; D116-Q120 PolarHBondContact O-N 2.67Å; Q120-P122 WeakPolarHBondContact O-CD 3.02Å |
| 121 | A | 61.7 | Low | 78.3 | Confident | 62 Ų | 62 | 92.1 Ų | 92.1 | 51% | 0.512 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -119.9 | 79 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | D117 R123 | D117-A121 CarbonylContact O-C 3.59Å; D117-A121 PolarHBondContact O-N 2.93Å; A121-R123 PolarHBondContact O-N 2.81Å |
| 122 | P | 62 | Low | 78.7 | Confident | 64 Ų | 64 | 88.4 Ų | 88.4 | 42% | 0.416 | 46% | 0.456 | S | S | . | . | trans | -52.5 | 112.8 | 177.4 | 21.7 | -33 | 0 | 0 | 0 | 107.9 | Q120 T124 P146 | Q120-P122 WeakPolarHBondContact O-CD 3.02Å; P122-T124 PolarHBondContact O-N 3.03Å; P122-P146 HydrophobicContact CB-CG 4.45Å | ||
| 123 | R | 66.2 | Low | 79.1 | Confident | 181 Ų | 181 | 89.2 Ų | 89.2 | 68% | 0.683 | 46% | 0.455 | S | S | * | . | trans | -68.5 | 81.2 | -165.3 | -70.4 | -173 | 178.5 | -174.8 | 0.7 | 110.3 | A121 T125 | A121-R123 PolarHBondContact O-N 2.81Å; R123-T125 PolarHBondContact O-N 2.89Å | ||
| 124 | T | 73.2 | Confident | 79.6 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | trans | -61.4 | 109.9 | 175.7 | 50.8 | 0 | 0 | 0 | 0 | 108.2 | P122 K129 | P122-T124 PolarHBondContact O-N 3.03Å; T124-K129 WeakPolarHBondContact O-CE 3.38Å; T124-K129 WeakPolarHBondContact OG1-CE 3.45Å | ||
| 125 | T | 82.8 | Confident | 80.3 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | trans | -58.8 | 151.2 | -176.9 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | R123 K127 A128 K129 | R123-T125 PolarHBondContact O-N 2.89Å; T125-K127 PolarHBondContact O-N 3.15Å; T125-A128 PolarHBondContact O-N 3.25Å; T125-A128 WeakPolarHBondContact OG1-CB 3.41Å; T125-A128 PolarHBondContact OG1-N 3.38Å; T125-K129 PolarHBondContact O-N 2.98Å | ||
| 126 | L | 85.4 | Confident | 80.9 | Confident | 132 Ų | 132 | 84.4 Ų | 84.4 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.4 | -33.5 | 174.8 | -63.6 | 178.5 | 0 | 0 | 0 | 111.1 | K129 K130 | L126-K129 PolarHBondContact O-N 3.22Å; L126-K130 WeakPolarHBondContact O-CB 3.35Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 3.23Å |
| 127 | K | 87.8 | Confident | 81.7 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 44% | 0.439 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.2 | -52.4 | 169.8 | -174.5 | -178.4 | 177 | -173.1 | 0 | 112 | T125 K129 K130 L131 W158 | T125-K127 PolarHBondContact O-N 3.15Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K127-K129 PolarHBondContact O-N 2.88Å; K127-K130 PolarHBondContact O-N 3.13Å; K127-L131 HydrophobicContact CG-CD1 4.12Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å; K127-L131 PolarHBondContact O-N 3.08Å; K127-W158 HydrophobicContact CD-CZ3 4.46Å |
| 128 | A | 89.6 | Confident | 82.7 | Confident | 9 Ų | 9 | 85 Ų | 85 | 7% | 0.074 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | T125 L131 T132 F144 | T125-A128 PolarHBondContact O-N 3.25Å; T125-A128 WeakPolarHBondContact OG1-CB 3.41Å; T125-A128 PolarHBondContact OG1-N 3.38Å; A128-L131 PolarHBondContact O-N 3.46Å; A128-T132 WeakPolarHBondContact O-CB 3.4Å; A128-T132 PolarHBondContact O-N 3.32Å; A128-T132 PolarHBondContact O-OG1 3.33Å; A128-F144 HydrophobicContact CB-CD1 4.22Å; A128-F144 HydrophobicContact CB-CD2 3.76Å; A128-F144 HydrophobicContact CB-CE1 4.41Å; A128-F144 HydrophobicContact CB-CE2 3.97Å; A128-F144 HydrophobicContact CB-CG 3.91Å; A128-F144 HydrophobicContact CB-CZ 4.29Å; A128-F144 WeakPolarHBondContact O-CE2 3.45Å |
| 129 | K | 90.4 | Very high | 84.1 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.3 | -65.7 | -177.1 | -175.3 | 179.6 | 0 | 111.7 | T124 T125 L126 K127 T132 S133 | T124-K129 WeakPolarHBondContact O-CE 3.38Å; T124-K129 WeakPolarHBondContact OG1-CE 3.45Å; T125-K129 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 3.22Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K127-K129 PolarHBondContact O-N 2.88Å; K129-T132 PolarHBondContact O-N 2.88Å; K129-S133 PolarHBondContact O-N 2.87Å |
| 130 | K | 92.4 | Very high | 85.4 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59 | -48.4 | 174.7 | -76.2 | 178.8 | 179.3 | -176.5 | 0 | 111.2 | L126 K127 T132 S133 H134 | L126-K130 WeakPolarHBondContact O-CB 3.35Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 3.23Å; K127-K130 PolarHBondContact O-N 3.13Å; K130-T132 PolarHBondContact O-N 2.84Å; K130-S133 WeakPolarHBondContact O-CB 3.45Å; K130-S133 PolarHBondContact O-N 2.82Å; K130-H134 PolarHBondContact O-N 2.81Å; K130-H134 VanDerWaalsContact O-N 3.08Å; K130-H134 PolarHBondContact O-ND1 2.87Å |
| 131 | L | 93.4 | Very high | 86.8 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.5 | -70.6 | 171.1 | 0 | 0 | 0 | 111.9 | K127 A128 S133 H134 A135 L142 F144 F159 F166 | K127-L131 HydrophobicContact CG-CD1 4.12Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å; K127-L131 PolarHBondContact O-N 3.08Å; A128-L131 PolarHBondContact O-N 3.46Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.65Å; L131-H134 PolarHBondContact O-N 2.8Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.76Å; L131-L142 HydrophobicContact CB-CD2 4.28Å; L131-F144 HydrophobicContact CB-CE2 4.21Å; L131-F144 HydrophobicContact CB-CZ 3.88Å; L131-F144 HydrophobicContact CD1-CE1 4.32Å; L131-F144 HydrophobicContact CD1-CZ 3.82Å; L131-F159 HydrophobicContact CD2-CB 3.63Å; L131-F166 HydrophobicContact CD2-CE1 3.98Å |
| 132 | T | 94.4 | Very high | 88.4 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 14% | 0.135 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -40.3 | 176.3 | -55.6 | 0 | 0 | 0 | 0 | 112 | A128 K129 K130 A135 R136 F144 | A128-T132 WeakPolarHBondContact O-CB 3.4Å; A128-T132 PolarHBondContact O-N 3.32Å; A128-T132 PolarHBondContact O-OG1 3.33Å; K129-T132 PolarHBondContact O-N 2.88Å; K130-T132 PolarHBondContact O-N 2.84Å; T132-A135 PolarHBondContact O-N 2.93Å; T132-R136 VanDerWaalsContact O-CG 3.32Å; T132-R136 WeakPolarHBondContact O-CG 3.46Å; T132-R136 PolarHBondContact O-N 2.77Å; T132-F144 WeakPolarHBondContact OG1-CE2 3.47Å |
| 133 | S | 93.6 | Very high | 89.8 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 40% | 0.399 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | K129 K130 L131 R136 K137 | K129-S133 PolarHBondContact O-N 2.87Å; K130-S133 WeakPolarHBondContact O-CB 3.45Å; K130-S133 PolarHBondContact O-N 2.82Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.65Å; S133-R136 PolarHBondContact O-N 3.13Å; S133-K137 WeakPolarHBondContact O-CG 3.23Å; S133-K137 PolarHBondContact O-N 2.92Å |
| 134 | H | 94.3 | Very high | 91 | Very high | 38 Ų | 38 | 72 Ų | 72 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 176 | -68.5 | 98.8 | 0 | 0 | 0 | 112.7 | K130 L131 R136 K137 M138 F159 F166 | K130-H134 PolarHBondContact O-N 2.81Å; K130-H134 VanDerWaalsContact O-N 3.08Å; K130-H134 PolarHBondContact O-ND1 2.87Å; L131-H134 PolarHBondContact O-N 2.8Å; H134-R136 PolarHBondContact O-N 3.12Å; H134-K137 WeakPolarHBondContact O-CB 3.43Å; H134-K137 PolarHBondContact O-N 2.93Å; H134-M138 PolarHBondContact O-N 3.44Å; H134-F159 HydrophobicContact CB-CD1 4.17Å; H134-F159 HydrophobicContact CB-CD2 4.11Å; H134-F159 HydrophobicContact CB-CE1 4.01Å; H134-F159 HydrophobicContact CB-CE2 3.95Å; H134-F159 HydrophobicContact CB-CG 4.21Å; H134-F159 HydrophobicContact CB-CZ 3.89Å; H134-F159 AromaticContact CD2-CD1 3.83Å; H134-F159 AromaticContact CD2-CE1 3.15Å; H134-F159 WeakPolarHBondContact CD2-CE1 3.04Å; H134-F159 AromaticContact CD2-CZ 3.52Å; H134-F159 AromaticContact CG-CD1 3.72Å; H134-F159 AromaticContact CG-CE1 3.48Å; H134-F159 VanDerWaalsContact CG-CE1 3.48Å; H134-F159 AromaticContact CG-CZ 3.82Å; H134-F159 AromaticContact NE2-CE1 3.69Å; H134-F166 HydrophobicContact CB-CE2 4.3Å; H134-F166 HydrophobicContact CB-CZ 3.83Å |
| 135 | A | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L131 T132 K137 M138 N139 I140 L142 F166 | L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.76Å; T132-A135 PolarHBondContact O-N 2.93Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.22Å; A135-M138 CarbonylContact O-C 3.2Å; A135-M138 WeakPolarHBondContact O-CA 3.29Å; A135-M138 PolarHBondContact O-N 2.88Å; A135-N139 PolarHBondContact O-N 3.24Å; A135-I140 CarbonylContact C-O 3.57Å; A135-I140 HydrophobicContact CB-CB 4.09Å; A135-I140 HydrophobicContact CB-CG2 4.3Å; A135-I140 PolarHBondContact O-N 3.41Å; A135-L142 HydrophobicContact CB-CB 3.62Å; A135-L142 HydrophobicContact CB-CD2 4.17Å; A135-F166 HydrophobicContact CB-CE2 4.44Å; A135-F166 HydrophobicContact CB-CZ 3.95Å |
| 136 | R | 94.3 | Very high | 91.9 | Very high | 175 Ų | 175 | 70 Ų | 70 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.4 | -38.1 | 175 | -72.2 | 172.8 | -171.7 | -173.9 | 3.7 | 112.8 | T132 S133 H134 M138 N139 I140 | T132-R136 VanDerWaalsContact O-CG 3.32Å; T132-R136 WeakPolarHBondContact O-CG 3.46Å; T132-R136 PolarHBondContact O-N 2.77Å; S133-R136 PolarHBondContact O-N 3.13Å; H134-R136 PolarHBondContact O-N 3.12Å; R136-M138 PolarHBondContact O-N 3.04Å; R136-N139 PolarHBondContact O-N 2.98Å; R136-I140 PolarHBondContact N-O 3.26Å |
| 137 | K | 92.8 | Very high | 91.8 | Very high | 153 Ų | 153 | 68.3 Ų | 68.3 | 67% | 0.665 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.7 | -20 | 174.7 | -66.1 | 174.6 | -175.4 | 179.1 | 0 | 113.2 | S133 H134 A135 | S133-K137 WeakPolarHBondContact O-CG 3.23Å; S133-K137 PolarHBondContact O-N 2.92Å; H134-K137 WeakPolarHBondContact O-CB 3.43Å; H134-K137 PolarHBondContact O-N 2.93Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.22Å |
| 138 | M | 90.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 67.7 Ų | 67.7 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 16.3 | 174.4 | -61.9 | -175.2 | 177 | 0 | 0 | 112.9 | H134 A135 R136 I140 F159 K164 F166 | H134-M138 PolarHBondContact O-N 3.44Å; A135-M138 CarbonylContact O-C 3.2Å; A135-M138 WeakPolarHBondContact O-CA 3.29Å; A135-M138 PolarHBondContact O-N 2.88Å; R136-M138 PolarHBondContact O-N 3.04Å; M138-I140 HydrophobicContact CB-CD1 4.26Å; M138-I140 HydrophobicContact CB-CG1 4.29Å; M138-I140 PolarHBondContact O-N 3.31Å; M138-F159 HydrophobicContact CE-CE2 3.78Å; M138-F159 HydrophobicContact CE-CZ 4.33Å; M138-K164 WeakPolarHBondContact CE-O 3.38Å; M138-F166 HydrophobicContact CE-CD2 4.24Å; M138-F166 HydrophobicContact CE-CE2 4.36Å; M138-F166 HydrophobicContact SD-CD2 3.62Å; M138-F166 HydrophobicContact SD-CE2 3.69Å |
| 139 | N | 94.4 | Very high | 91.5 | Very high | 81 Ų | 81 | 72.4 Ų | 72.4 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 20.5 | -175.6 | -56 | -48 | 0 | 0 | 0 | 114.9 | A135 R136 Y255 | A135-N139 PolarHBondContact O-N 3.24Å; R136-N139 PolarHBondContact O-N 2.98Å; N139-Y255 HydrophobicContact CB-CD1 3.84Å; N139-Y255 HydrophobicContact CB-CE1 3.64Å; N139-Y255 HydrophobicContact CB-CE2 4.42Å; N139-Y255 HydrophobicContact CB-CG 4.33Å; N139-Y255 PolarHBondContact ND2-OH 3.35Å; N139-Y255 VanDerWaalsContact O-CA 3.26Å; N139-Y255 WeakPolarHBondContact O-CA 3.35Å; N139-Y255 PolarHBondContact O-N 3.36Å |
| 140 | I | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -97 | 125.9 | 178.5 | -58.8 | 176.5 | 0 | 0 | 0 | 109.6 | A135 R136 M138 L142 W168 L253 I258 | A135-I140 CarbonylContact C-O 3.57Å; A135-I140 HydrophobicContact CB-CB 4.09Å; A135-I140 HydrophobicContact CB-CG2 4.3Å; A135-I140 PolarHBondContact O-N 3.41Å; R136-I140 PolarHBondContact N-O 3.26Å; M138-I140 HydrophobicContact CB-CD1 4.26Å; M138-I140 HydrophobicContact CB-CG1 4.29Å; M138-I140 PolarHBondContact O-N 3.31Å; I140-L142 PolarHBondContact O-N 3.36Å; I140-W168 HydrophobicContact CD1-CZ2 4.02Å; I140-W168 HydrophobicContact CG2-CH2 4.46Å; I140-L253 HydrophobicContact CD1-CB 3.94Å; I140-L253 HydrophobicContact CG1-CB 4.41Å; I140-I258 HydrophobicContact CG2-CD1 3.51Å; I140-I258 HydrophobicContact CG2-CG1 4.36Å | ||
| 141 | T | 94.8 | Very high | 91.4 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 83.1 | 175.2 | -60 | 0 | 0 | 0 | 0 | 110.1 | K256 T257 I258 | T141-K256 PolarHBondContact N-O 2.83Å; T141-T257 HydrophobicContact CG2-CG2 4.13Å; T141-T257 WeakPolarHBondContact O-CA 3.2Å; T141-I258 PolarHBondContact O-N 3.22Å |
| 142 | L | 94.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 67.4 Ų | 67.4 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.9 | 175.7 | -172.3 | 59.5 | 0 | 0 | 0 | 111.1 | L131 A135 I140 F144 W168 I258 | L131-L142 HydrophobicContact CB-CD2 4.28Å; A135-L142 HydrophobicContact CB-CB 3.62Å; A135-L142 HydrophobicContact CB-CD2 4.17Å; I140-L142 PolarHBondContact O-N 3.36Å; L142-F144 HydrophobicContact CD2-CE2 3.69Å; L142-F144 HydrophobicContact CD2-CZ 3.6Å; L142-F144 HydrophobicContact CG-CD2 4.48Å; L142-F144 HydrophobicContact CG-CE2 3.77Å; L142-F144 HydrophobicContact CG-CZ 4.01Å; L142-W168 HydrophobicContact CD1-CH2 4.37Å; L142-W168 HydrophobicContact CD1-CZ3 4.15Å; L142-W168 HydrophobicContact CD2-CH2 4.38Å; L142-W168 HydrophobicContact CD2-CZ3 4.49Å; L142-I258 HydrophobicContact CD1-CB 4.09Å; L142-I258 HydrophobicContact CD1-CG2 3.99Å |
| 143 | R | 92.6 | Very high | 91 | Very high | 163 Ų | 163 | 73.5 Ų | 73.5 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.5 | 172.6 | -65.5 | -173.5 | 176 | -134.4 | -0 | 109.6 | I258 I259 E260 | R143-I258 PolarHBondContact N-O 3.11Å; R143-I259 CarbonylContact O-C 3.6Å; R143-I259 WeakPolarHBondContact O-CA 3.36Å; R143-E260 PolarHBondContact O-N 3.41Å |
| 144 | F | 91.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 74.4 Ų | 74.4 | 23% | 0.232 | 37% | 0.365 | C | S | . | . | trans | -108.8 | 149.2 | 176.9 | -67.9 | -92.3 | 0 | 0 | 0 | 110.2 | A128 L131 T132 L142 E260 | A128-F144 HydrophobicContact CB-CD1 4.22Å; A128-F144 HydrophobicContact CB-CD2 3.76Å; A128-F144 HydrophobicContact CB-CE1 4.41Å; A128-F144 HydrophobicContact CB-CE2 3.97Å; A128-F144 HydrophobicContact CB-CG 3.91Å; A128-F144 HydrophobicContact CB-CZ 4.29Å; A128-F144 WeakPolarHBondContact O-CE2 3.45Å; L131-F144 HydrophobicContact CB-CE2 4.21Å; L131-F144 HydrophobicContact CB-CZ 3.88Å; L131-F144 HydrophobicContact CD1-CE1 4.32Å; L131-F144 HydrophobicContact CD1-CZ 3.82Å; T132-F144 WeakPolarHBondContact OG1-CE2 3.47Å; L142-F144 HydrophobicContact CD2-CE2 3.69Å; L142-F144 HydrophobicContact CD2-CZ 3.6Å; L142-F144 HydrophobicContact CG-CD2 4.48Å; L142-F144 HydrophobicContact CG-CE2 3.77Å; L142-F144 HydrophobicContact CG-CZ 4.01Å; F144-E260 VanDerWaalsContact CD1-OE2 3.25Å; F144-E260 WeakPolarHBondContact CD1-OE2 3.47Å | ||
| 145 | L | 89.1 | Confident | 90.8 | Very high | 55 Ų | 55 | 73.9 Ų | 73.9 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | trans | -88.5 | 165 | 169.7 | -65.9 | 171 | 0 | 0 | 0 | 109.4 | F149 K151 S152 I259 E260 | L145-F149 HydrophobicContact CB-CB 4.24Å; L145-F149 HydrophobicContact CB-CD2 4.45Å; L145-F149 HydrophobicContact CB-CG 4.28Å; L145-F149 HydrophobicContact CD1-CB 4.39Å; L145-F149 HydrophobicContact CD1-CD1 4.38Å; L145-F149 HydrophobicContact CD1-CG 4.48Å; L145-K151 HydrophobicContact CD1-CB 4.12Å; L145-K151 HydrophobicContact CD1-CD 4.32Å; L145-S152 PolarHBondContact O-OG 3.28Å; L145-I259 HydrophobicContact CD1-CG2 3.92Å; L145-I259 HydrophobicContact CD2-CG2 3.81Å; L145-I259 HydrophobicContact CG-CG2 3.63Å; L145-E260 WeakPolarHBondContact CA-OE1 3.12Å; L145-E260 HydrophobicContact CB-CG 4.11Å; L145-E260 WeakPolarHBondContact CB-OE1 3.34Å; L145-E260 HydrophobicContact CD1-CG 3.96Å; L145-E260 HydrophobicContact CG-CG 3.98Å; L145-E260 PolarHBondContact N-OE1 3.07Å | ||
| 146 | P | 85.2 | Confident | 90.7 | Very high | 53 Ų | 53 | 75.7 Ų | 75.7 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | trans | -60.5 | 146.6 | 169.2 | -22.8 | 33.8 | 0 | 0 | 0 | 112.1 | P122 S148 F149 S152 | P122-P146 HydrophobicContact CB-CG 4.45Å; P146-S148 PolarHBondContact O-N 3.48Å; P146-F149 HydrophobicContact CB-CD2 3.95Å; P146-F149 HydrophobicContact CB-CE2 4.11Å; P146-F149 HydrophobicContact CG-CD2 4.08Å; P146-F149 HydrophobicContact CG-CE2 3.85Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 WeakPolarHBondContact O-CD2 3.5Å; P146-F149 PolarHBondContact O-N 3.03Å; P146-S152 WeakPolarHBondContact O-CB 3.46Å | ||
| 147 | V | 82.6 | Confident | 90.6 | Very high | 97 Ų | 97 | 67.6 Ų | 67.6 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.5 | -176.6 | 177.8 | 0 | 0 | 0 | 0 | 113.5 | F149 K153 | V147-F149 VanDerWaalsContact C-N 3.27Å; V147-F149 PolarHBondContact O-N 3.02Å; V147-K153 VanDerWaalsContact O-CE 3.28Å; V147-K153 WeakPolarHBondContact O-CE 3.15Å |
| 148 | S | 83.7 | Confident | 90.6 | Very high | 88 Ų | 88 | 67 Ų | 67 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28.2 | 173.6 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | P146 | P146-S148 PolarHBondContact O-N 3.48Š|
| 149 | F | 87.1 | Confident | 90.8 | Very high | 108 Ų | 108 | 66.5 Ų | 66.5 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -75.2 | 136 | -177 | -74 | -106.4 | 0 | 0 | 0 | 112 | L145 P146 V147 K151 S152 K153 | L145-F149 HydrophobicContact CB-CB 4.24Å; L145-F149 HydrophobicContact CB-CD2 4.45Å; L145-F149 HydrophobicContact CB-CG 4.28Å; L145-F149 HydrophobicContact CD1-CB 4.39Å; L145-F149 HydrophobicContact CD1-CD1 4.38Å; L145-F149 HydrophobicContact CD1-CG 4.48Å; P146-F149 HydrophobicContact CB-CD2 3.95Å; P146-F149 HydrophobicContact CB-CE2 4.11Å; P146-F149 HydrophobicContact CG-CD2 4.08Å; P146-F149 HydrophobicContact CG-CE2 3.85Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 WeakPolarHBondContact O-CD2 3.5Å; P146-F149 PolarHBondContact O-N 3.03Å; V147-F149 VanDerWaalsContact C-N 3.27Å; V147-F149 PolarHBondContact O-N 3.02Å; F149-K151 VanDerWaalsContact C-N 3.26Å; F149-K151 PolarHBondContact O-N 3.07Å; F149-S152 WeakPolarHBondContact O-CA 3.5Å; F149-S152 WeakPolarHBondContact O-CB 3.35Å; F149-S152 PolarHBondContact O-N 2.71Å; F149-K153 PolarHBondContact O-N 2.86Å |
| 150 | T | 91.3 | Very high | 90.7 | Very high | 98 Ų | 98 | 64.8 Ų | 64.8 | 60% | 0.601 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.8 | -42.5 | 177.6 | -39.8 | 0 | 0 | 0 | 0 | 112.4 | S152 K153 E154 | T150-S152 PolarHBondContact O-N 2.84Å; T150-K153 WeakPolarHBondContact O-CB 3.32Å; T150-K153 PolarHBondContact O-N 3.35Å; T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.48Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 2.88Å |
| 151 | K | 90.9 | Very high | 90.5 | Very high | 49 Ų | 49 | 69.5 Ų | 69.5 | 21% | 0.213 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -30.5 | 177.4 | -160.7 | -176.1 | -174.2 | -168.8 | 0 | 113.4 | L145 F149 I259 E260 Y261 | L145-K151 HydrophobicContact CD1-CB 4.12Å; L145-K151 HydrophobicContact CD1-CD 4.32Å; F149-K151 VanDerWaalsContact C-N 3.26Å; F149-K151 PolarHBondContact O-N 3.07Å; K151-I259 WeakPolarHBondContact CE-O 3.38Å; K151-I259 PolarHBondContact NZ-O 3.28Å; K151-E260 HydrophobicContact CB-CG 4.46Å; K151-E260 HydrophobicContact CD-CB 4Å; K151-E260 HydrophobicContact CD-CG 4.27Å; K151-E260 HydrophobicContact CG-CB 4.01Å; K151-E260 HydrophobicContact CG-CG 4.15Å; K151-Y261 HydrophobicContact CD-CE1 4.32Å; K151-Y261 VanDerWaalsContact CE-CZ 3.44Å; K151-Y261 HydrophobicContact CG-CD1 4.15Å; K151-Y261 HydrophobicContact CG-CE1 3.45Å; K151-Y261 VanDerWaalsContact CG-CE1 3.45Å; K151-Y261 HydrophobicContact CG-CE2 4.38Å; K151-Y261 PolarHBondContact NZ-O 2.84Å; K151-Y261 VanDerWaalsContact NZ-O 3.07Å; K151-Y261 WeakPolarHBondContact O-CE1 3.46Å |
| 152 | S | 89.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.9 | -40.1 | 175.5 | -154.2 | 0 | 0 | 0 | 0 | 111 | L145 P146 F149 T150 N155 E260 | L145-S152 PolarHBondContact O-OG 3.28Å; P146-S152 WeakPolarHBondContact O-CB 3.46Å; F149-S152 WeakPolarHBondContact O-CA 3.5Å; F149-S152 WeakPolarHBondContact O-CB 3.35Å; F149-S152 PolarHBondContact O-N 2.71Å; T150-S152 PolarHBondContact O-N 2.84Å; S152-N155 WeakPolarHBondContact O-CB 3.2Å; S152-N155 PolarHBondContact O-N 3.47Å; S152-E260 WeakPolarHBondContact CA-OE1 3.44Å; S152-E260 WeakPolarHBondContact CB-OE1 3.3Å; S152-E260 PolarHBondContact OG-OE1 2.97Å |
| 153 | K | 88.9 | Confident | 90 | Very high | 150 Ų | 150 | 81.6 Ų | 81.6 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.1 | -35.5 | 176.6 | -61.2 | 178.2 | -178.7 | 178.3 | 0 | 113.3 | V147 F149 T150 N155 | V147-K153 VanDerWaalsContact O-CE 3.28Å; V147-K153 WeakPolarHBondContact O-CE 3.15Å; F149-K153 PolarHBondContact O-N 2.86Å; T150-K153 WeakPolarHBondContact O-CB 3.32Å; T150-K153 PolarHBondContact O-N 3.35Å; K153-N155 VanDerWaalsContact C-N 3.27Å; K153-N155 PolarHBondContact O-N 2.62Å |
| 154 | E | 92.3 | Very high | 89.9 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.6 | 175.3 | -71.8 | 166.2 | -175.6 | 0 | 0 | 113.2 | T150 S156 H169 Y261 | T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.48Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 2.88Å; E154-S156 PolarHBondContact O-N 2.87Å; E154-H169 PolarHBondContact O-CE1 2.88Å; E154-H169 PolarHBondContact O-ND1 3.38Å; E154-Y261 HydrophobicContact CB-CE1 4.09Å; E154-Y261 PolarHBondContact OE2-OH 3.45Å |
| 155 | N | 91.6 | Very high | 90 | Very high | 26 Ų | 26 | 80.4 Ų | 80.4 | 14% | 0.139 | 41% | 0.405 | C | S | . | . | trans | -70.9 | 105.7 | -166.3 | -170.3 | -3.6 | 0 | 0 | 0 | 112.7 | S152 K153 T157 E260 Y261 | S152-N155 WeakPolarHBondContact O-CB 3.2Å; S152-N155 PolarHBondContact O-N 3.47Å; K153-N155 VanDerWaalsContact C-N 3.27Å; K153-N155 PolarHBondContact O-N 2.62Å; N155-T157 VanDerWaalsContact CG-OG1 3.32Å; N155-T157 PolarHBondContact ND2-OG1 3.15Å; N155-T157 VanDerWaalsContact OD1-CB 3.25Å; N155-T157 WeakPolarHBondContact OD1-CB 3.46Å; N155-T157 WeakPolarHBondContact OD1-CG2 3.48Å; N155-T157 PolarHBondContact OD1-N 2.91Å; N155-T157 PolarHBondContact OD1-OG1 2.92Å; N155-E260 PolarHBondContact ND2-O 3.18Å; N155-E260 PolarHBondContact ND2-OE2 3.49Å; N155-Y261 HydrophobicContact CB-CD1 4.03Å | ||
| 156 | S | 91.8 | Very high | 90.3 | Very high | 39 Ų | 39 | 77.9 Ų | 77.9 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | trans | -99.7 | 24.3 | 175 | 77.1 | 0 | 0 | 0 | 0 | 113.7 | E154 H169 R184 | E154-S156 PolarHBondContact O-N 2.87Å; S156-H169 PolarHBondContact N-ND1 2.84Å; S156-H169 PolarHBondContact OG-ND1 3.46Å; S156-R184 WeakPolarHBondContact OG-CG 3.34Å | ||
| 157 | T | 93.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | trans | -63.4 | 139.3 | 177.5 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | N155 L167 W168 H169 | N155-T157 VanDerWaalsContact CG-OG1 3.32Å; N155-T157 PolarHBondContact ND2-OG1 3.15Å; N155-T157 VanDerWaalsContact OD1-CB 3.25Å; N155-T157 WeakPolarHBondContact OD1-CB 3.46Å; N155-T157 WeakPolarHBondContact OD1-CG2 3.48Å; N155-T157 PolarHBondContact OD1-N 2.91Å; N155-T157 PolarHBondContact OD1-OG1 2.92Å; T157-L167 WeakPolarHBondContact CA-O 3.38Å; T157-W168 HydrophobicContact CG2-CE3 3.66Å; T157-W168 HydrophobicContact CG2-CZ3 4.16Å; T157-H169 HydrophobicContact CG2-CB 4.01Å | ||
| 158 | W | 92.8 | Very high | 91.3 | Very high | 141 Ų | 141 | 72.5 Ų | 72.5 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 163.8 | 178.6 | -169.4 | -98.1 | 0 | 0 | 0 | 110.7 | K127 L167 | K127-W158 HydrophobicContact CD-CZ3 4.46Å; W158-L167 HydrophobicContact CB-CB 4.3Å; W158-L167 PolarHBondContact N-O 2.8Å; W158-L167 PolarHBondContact O-N 3.12Å |
| 159 | F | 93.3 | Very high | 91.9 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 124.6 | 178.3 | -178.4 | -98.4 | 0 | 0 | 0 | 110.2 | L131 H134 M138 T161 K164 Q165 F166 | L131-F159 HydrophobicContact CD2-CB 3.63Å; H134-F159 HydrophobicContact CB-CD1 4.17Å; H134-F159 HydrophobicContact CB-CD2 4.11Å; H134-F159 HydrophobicContact CB-CE1 4.01Å; H134-F159 HydrophobicContact CB-CE2 3.95Å; H134-F159 HydrophobicContact CB-CG 4.21Å; H134-F159 HydrophobicContact CB-CZ 3.89Å; H134-F159 AromaticContact CD2-CD1 3.83Å; H134-F159 AromaticContact CD2-CE1 3.15Å; H134-F159 WeakPolarHBondContact CD2-CE1 3.04Å; H134-F159 AromaticContact CD2-CZ 3.52Å; H134-F159 AromaticContact CG-CD1 3.72Å; H134-F159 AromaticContact CG-CE1 3.48Å; H134-F159 VanDerWaalsContact CG-CE1 3.48Å; H134-F159 AromaticContact CG-CZ 3.82Å; H134-F159 AromaticContact NE2-CE1 3.69Å; M138-F159 HydrophobicContact CE-CE2 3.78Å; M138-F159 HydrophobicContact CE-CZ 4.33Å; F159-T161 PolarHBondContact O-N 3.46Å; F159-K164 HydrophobicContact CZ-CB 4.29Å; F159-Q165 CarbonylContact C-O 3.6Å; F159-Q165 WeakPolarHBondContact CA-O 3.48Å; F159-Q165 VanDerWaalsContact CD2-O 3.23Å; F159-Q165 WeakPolarHBondContact CD2-O 3.25Å; F159-F166 HydrophobicContact CB-CD1 4.2Å; F159-F166 HydrophobicContact CB-CE1 4.12Å; F159-F166 AromaticContact CD2-CD1 3.8Å; F159-F166 HydrophobicContact CD2-CD1 3.8Å; F159-F166 AromaticContact CD2-CD2 3.64Å; F159-F166 HydrophobicContact CD2-CD2 3.64Å; F159-F166 AromaticContact CD2-CE1 3.77Å; F159-F166 HydrophobicContact CD2-CE1 3.77Å; F159-F166 AromaticContact CD2-CE2 3.59Å; F159-F166 HydrophobicContact CD2-CE2 3.59Å; F159-F166 AromaticContact CD2-CG 3.73Å; F159-F166 HydrophobicContact CD2-CG 3.73Å; F159-F166 AromaticContact CD2-CZ 3.65Å; F159-F166 HydrophobicContact CD2-CZ 3.65Å; F159-F166 AromaticContact CE2-CD2 3.85Å; F159-F166 HydrophobicContact CE2-CD2 3.85Å; F159-F166 AromaticContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CG 4.39Å; F159-F166 HydrophobicContact CE2-CZ 4.13Å; F159-F166 HydrophobicContact CG-CD1 4.48Å; F159-F166 HydrophobicContact CG-CE1 4.31Å; F159-F166 HydrophobicContact CG-CZ 4.42Å |
| 160 | L | 92.9 | Very high | 92.2 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 106.2 | 174.2 | -83.9 | 81.7 | 0 | 0 | 0 | 109.1 | K162 E163 K164 Q165 L167 | L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.4Å; L160-E163 HydrophobicContact CB-CB 4.3Å; L160-E163 HydrophobicContact CD2-CG 4.5Å; L160-E163 WeakPolarHBondContact CD2-OE1 3.38Å; L160-K164 VanDerWaalsContact O-CA 3.29Å; L160-K164 WeakPolarHBondContact O-CA 3.48Å; L160-K164 PolarHBondContact O-N 3.08Å; L160-Q165 PolarHBondContact N-O 3.26Å; L160-Q165 PolarHBondContact O-N 2.93Å; L160-L167 HydrophobicContact CD1-CD1 3.38Å; L160-L167 HydrophobicContact CD1-CD2 4.36Å; L160-L167 HydrophobicContact CD1-CG 3.5Å; L160-L167 VanDerWaalsContact CD1-CG 3.5Å |
| 161 | T | 89.8 | Confident | 92.4 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -36.6 | -179.5 | -48 | 0 | 0 | 0 | 0 | 112.8 | F159 | F159-T161 PolarHBondContact O-N 3.46Š|
| 162 | K | 90.7 | Very high | 92.5 | Very high | 208 Ų | 208 | 58.1 Ų | 58.1 | 90% | 0.904 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -52.6 | 179.8 | -66.5 | -177.6 | 178.6 | 178.2 | 0 | 111.5 | L160 | L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.4Å |
| 163 | E | 89.4 | Confident | 92.7 | Very high | 116 Ų | 116 | 58.3 Ų | 58.3 | 54% | 0.542 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13.7 | -177.4 | -65.3 | 166.7 | -158.2 | 0 | 0 | 113.4 | L160 Q165 | L160-E163 HydrophobicContact CB-CB 4.3Å; L160-E163 HydrophobicContact CD2-CG 4.5Å; L160-E163 WeakPolarHBondContact CD2-OE1 3.38Å; E163-Q165 HydrophobicContact CB-CB 4.36Å; E163-Q165 HydrophobicContact CB-CG 3.99Å |
| 164 | K | 90.8 | Very high | 92.8 | Very high | 146 Ų | 146 | 51.1 Ų | 51.1 | 64% | 0.635 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 54.1 | -169.5 | -56.1 | 170.8 | -174 | 167.7 | 0 | 110.6 | M138 F159 L160 R250 | M138-K164 WeakPolarHBondContact CE-O 3.38Å; F159-K164 HydrophobicContact CZ-CB 4.29Å; L160-K164 VanDerWaalsContact O-CA 3.29Å; L160-K164 WeakPolarHBondContact O-CA 3.48Å; L160-K164 PolarHBondContact O-N 3.08Å; K164-R250 PolarHBondContact O-NH2 2.61Å |
| 165 | Q | 93.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.5 | 178.3 | -65.8 | -164.6 | 13.5 | 0 | 0 | 111.8 | F159 L160 E163 S187 D188 | F159-Q165 CarbonylContact C-O 3.6Å; F159-Q165 WeakPolarHBondContact CA-O 3.48Å; F159-Q165 VanDerWaalsContact CD2-O 3.23Å; F159-Q165 WeakPolarHBondContact CD2-O 3.25Å; L160-Q165 PolarHBondContact N-O 3.26Å; L160-Q165 PolarHBondContact O-N 2.93Å; E163-Q165 HydrophobicContact CB-CB 4.36Å; E163-Q165 HydrophobicContact CB-CG 3.99Å; Q165-S187 PolarHBondContact OE1-OG 3.5Å; Q165-D188 WeakPolarHBondContact CA-OD1 3.5Å; Q165-D188 WeakPolarHBondContact CB-OD1 3.24Å |
| 166 | F | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.6 | 166.9 | -81.4 | -84.1 | 0 | 0 | 0 | 110.7 | L131 H134 A135 M138 F159 W168 D188 | L131-F166 HydrophobicContact CD2-CE1 3.98Å; H134-F166 HydrophobicContact CB-CE2 4.3Å; H134-F166 HydrophobicContact CB-CZ 3.83Å; A135-F166 HydrophobicContact CB-CE2 4.44Å; A135-F166 HydrophobicContact CB-CZ 3.95Å; M138-F166 HydrophobicContact CE-CD2 4.24Å; M138-F166 HydrophobicContact CE-CE2 4.36Å; M138-F166 HydrophobicContact SD-CD2 3.62Å; M138-F166 HydrophobicContact SD-CE2 3.69Å; F159-F166 HydrophobicContact CB-CD1 4.2Å; F159-F166 HydrophobicContact CB-CE1 4.12Å; F159-F166 AromaticContact CD2-CD1 3.8Å; F159-F166 HydrophobicContact CD2-CD1 3.8Å; F159-F166 AromaticContact CD2-CD2 3.64Å; F159-F166 HydrophobicContact CD2-CD2 3.64Å; F159-F166 AromaticContact CD2-CE1 3.77Å; F159-F166 HydrophobicContact CD2-CE1 3.77Å; F159-F166 AromaticContact CD2-CE2 3.59Å; F159-F166 HydrophobicContact CD2-CE2 3.59Å; F159-F166 AromaticContact CD2-CG 3.73Å; F159-F166 HydrophobicContact CD2-CG 3.73Å; F159-F166 AromaticContact CD2-CZ 3.65Å; F159-F166 HydrophobicContact CD2-CZ 3.65Å; F159-F166 AromaticContact CE2-CD2 3.85Å; F159-F166 HydrophobicContact CE2-CD2 3.85Å; F159-F166 AromaticContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CG 4.39Å; F159-F166 HydrophobicContact CE2-CZ 4.13Å; F159-F166 HydrophobicContact CG-CD1 4.48Å; F159-F166 HydrophobicContact CG-CE1 4.31Å; F159-F166 HydrophobicContact CG-CZ 4.42Å; F166-W168 HydrophobicContact CB-CD2 4.25Å; F166-W168 HydrophobicContact CB-CG 4.33Å; F166-W168 HydrophobicContact CB-CZ2 4Å; F166-W168 VanDerWaalsContact CB-NE1 3.25Å; F166-W168 HydrophobicContact CD1-CH2 4.28Å; F166-W168 AromaticContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD2-CZ2 4.08Å; F166-W168 AromaticContact CG-CE2 3.87Å; F166-W168 HydrophobicContact CG-CH2 4.48Å; F166-W168 AromaticContact CG-CZ2 3.75Å; F166-W168 HydrophobicContact CG-CZ2 3.75Å; F166-W168 AromaticContact CG-NE1 3.99Å; F166-D188 HydrophobicContact CB-CB 4.09Å; F166-D188 PolarHBondContact N-OD1 2.9Å; F166-D188 PolarHBondContact N-OD2 3.47Å; F166-D188 PolarHBondContact O-N 2.71Å |
| 167 | L | 95.3 | Very high | 91.8 | Very high | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 97.7 | 161 | -66.2 | -173.1 | 0 | 0 | 0 | 107.7 | T157 W158 L160 R185 V186 | T157-L167 WeakPolarHBondContact CA-O 3.38Å; W158-L167 HydrophobicContact CB-CB 4.3Å; W158-L167 PolarHBondContact N-O 2.8Å; W158-L167 PolarHBondContact O-N 3.12Å; L160-L167 HydrophobicContact CD1-CD1 3.38Å; L160-L167 HydrophobicContact CD1-CD2 4.36Å; L160-L167 HydrophobicContact CD1-CG 3.5Å; L160-L167 VanDerWaalsContact CD1-CG 3.5Å; L167-R185 HydrophobicContact CD1-CB 4.34Å; L167-V186 CarbonylContact C-O 3.59Å; L167-V186 WeakPolarHBondContact CA-O 3.43Å |
| 168 | W | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.4 | -177.1 | -68.4 | 99.4 | 0 | 0 | 0 | 111.9 | I140 L142 T157 F166 L170 R185 V186 L249 L253 I258 P262 | I140-W168 HydrophobicContact CD1-CZ2 4.02Å; I140-W168 HydrophobicContact CG2-CH2 4.46Å; L142-W168 HydrophobicContact CD1-CH2 4.37Å; L142-W168 HydrophobicContact CD1-CZ3 4.15Å; L142-W168 HydrophobicContact CD2-CH2 4.38Å; L142-W168 HydrophobicContact CD2-CZ3 4.49Å; T157-W168 HydrophobicContact CG2-CE3 3.66Å; T157-W168 HydrophobicContact CG2-CZ3 4.16Å; F166-W168 HydrophobicContact CB-CD2 4.25Å; F166-W168 HydrophobicContact CB-CG 4.33Å; F166-W168 HydrophobicContact CB-CZ2 4Å; F166-W168 VanDerWaalsContact CB-NE1 3.25Å; F166-W168 HydrophobicContact CD1-CH2 4.28Å; F166-W168 AromaticContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD2-CZ2 4.08Å; F166-W168 AromaticContact CG-CE2 3.87Å; F166-W168 HydrophobicContact CG-CH2 4.48Å; F166-W168 AromaticContact CG-CZ2 3.75Å; F166-W168 HydrophobicContact CG-CZ2 3.75Å; F166-W168 AromaticContact CG-NE1 3.99Å; W168-L170 HydrophobicContact CB-CD2 3.89Å; W168-L170 HydrophobicContact CB-CG 4.12Å; W168-R185 PolarHBondContact O-N 2.91Å; W168-R185 VanDerWaalsContact O-N 3.15Å; W168-V186 PolarHBondContact N-O 3.06Å; W168-V186 PolarHBondContact O-N 3.48Å; W168-L249 HydrophobicContact CB-CD2 4.36Å; W168-L249 HydrophobicContact CG-CD2 4.19Å; W168-L253 HydrophobicContact CD2-CD1 4.2Å; W168-L253 HydrophobicContact CZ2-CD1 4.06Å; W168-I258 HydrophobicContact CH2-CD1 4.11Å; W168-I258 HydrophobicContact CZ3-CD1 4.43Å; W168-P262 HydrophobicContact CD2-CG 4.21Å; W168-P262 VanDerWaalsContact CE3-CD 3.49Å; W168-P262 HydrophobicContact CE3-CG 3.91Å; W168-P262 HydrophobicContact CZ3-CG 4.38Å |
| 169 | H | 95.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.8 | 148.4 | -169.7 | 101.3 | 0 | 0 | 0 | 106.3 | E154 S156 T157 Q183 Y261 P262 | E154-H169 PolarHBondContact O-CE1 2.88Å; E154-H169 PolarHBondContact O-ND1 3.38Å; S156-H169 PolarHBondContact N-ND1 2.84Å; S156-H169 PolarHBondContact OG-ND1 3.46Å; T157-H169 HydrophobicContact CG2-CB 4.01Å; H169-Q183 CarbonylContact C-O 3.54Å; H169-Q183 WeakPolarHBondContact CA-O 3.25Å; H169-Y261 HydrophobicContact CB-CG 4.38Å; H169-Y261 AromaticContact CD2-CD1 3.69Å; H169-Y261 AromaticContact CD2-CD2 3.87Å; H169-Y261 AromaticContact CD2-CE1 3.82Å; H169-Y261 AromaticContact CD2-CG 3.72Å; H169-Y261 AromaticContact CD2-CZ 3.99Å; H169-Y261 WeakPolarHBondContact O-CB 3.35Å; H169-P262 WeakPolarHBondContact O-CD 3.46Å |
| 170 | L | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.8 | 176.4 | -66.1 | -176.1 | 0 | 0 | 0 | 109.5 | W168 S182 Q183 V186 I195 L249 P262 | W168-L170 HydrophobicContact CB-CD2 3.89Å; W168-L170 HydrophobicContact CB-CG 4.12Å; L170-S182 CarbonylContact O-C 3.6Å; L170-S182 WeakPolarHBondContact O-CA 3.39Å; L170-Q183 HydrophobicContact CB-CB 4.49Å; L170-Q183 PolarHBondContact N-O 2.79Å; L170-Q183 PolarHBondContact O-N 3.26Å; L170-V186 HydrophobicContact CD1-CB 3.9Å; L170-V186 HydrophobicContact CD1-CG1 3.74Å; L170-V186 HydrophobicContact CD1-CG2 3.92Å; L170-V186 HydrophobicContact CG-CB 4.19Å; L170-V186 HydrophobicContact CG-CG2 4.11Å; L170-I195 HydrophobicContact CD1-CD1 4.23Å; L170-I195 HydrophobicContact CD1-CG2 4.27Å; L170-L249 HydrophobicContact CD1-CD2 3.95Å; L170-L249 HydrophobicContact CD2-CD1 4.43Å; L170-L249 HydrophobicContact CD2-CD2 4.23Å; L170-P262 HydrophobicContact CD2-CB 3.67Å; L170-P262 HydrophobicContact CD2-CG 3.63Å |
| 171 | K | 95.1 | Very high | 91 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.6 | 167 | -175.3 | 169.3 | -177.6 | 170.7 | 0 | 109.6 | I173 E180 F181 Y261 P262 V263 L264 | K171-I173 HydrophobicContact CG-CG1 4.26Å; K171-E180 WeakPolarHBondContact CE-OE2 3.49Å; K171-E180 IonicContact NZ-OE1 2.65Å; K171-E180 IonicContact NZ-OE2 2.68Å; K171-E180 PolarHBondContact NZ-OE2 3.08Å; K171-F181 CarbonylContact C-O 3.6Å; K171-F181 WeakPolarHBondContact CA-O 3.47Å; K171-Y261 HydrophobicContact CB-CD2 4.33Å; K171-Y261 HydrophobicContact CB-CE2 3.67Å; K171-Y261 HydrophobicContact CD-CE2 4.44Å; K171-P262 PolarHBondContact N-O 3.38Å; K171-P262 VanDerWaalsContact N-O 3.13Å; K171-V263 HydrophobicContact CB-CG1 4.39Å; K171-V263 HydrophobicContact CB-CG2 4.34Å; K171-V263 HydrophobicContact CG-CG1 4.48Å; K171-V263 CarbonylContact O-C 3.6Å; K171-V263 WeakPolarHBondContact O-CA 3.48Å; K171-L264 PolarHBondContact O-N 3.01Å |
| 172 | L | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.7 | 174.2 | -54.8 | -178.2 | 0 | 0 | 0 | 108.6 | F174 E180 F181 Y199 L264 | L172-F174 HydrophobicContact CB-CD2 4.45Å; L172-F174 HydrophobicContact CB-CE2 3.75Å; L172-F174 HydrophobicContact CB-CZ 4.44Å; L172-F174 HydrophobicContact CD1-CE2 4.42Å; L172-E180 WeakPolarHBondContact O-CA 3.41Å; L172-F181 PolarHBondContact N-O 3.39Å; L172-F181 PolarHBondContact O-N 3.25Å; L172-Y199 HydrophobicContact CD1-CD1 4.39Å; L172-Y199 HydrophobicContact CD1-CD2 3.56Å; L172-Y199 HydrophobicContact CD1-CE1 4.22Å; L172-Y199 HydrophobicContact CD1-CE2 3.33Å; L172-Y199 HydrophobicContact CD1-CG 4.11Å; L172-L264 WeakPolarHBondContact CA-O 3.27Å; L172-L264 HydrophobicContact CD2-CB 3.88Å; L172-L264 HydrophobicContact CD2-CD1 3.89Å; L172-L264 HydrophobicContact CD2-CG 4.19Å |
| 173 | I | 93.3 | Very high | 91 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.9 | 176 | -59.6 | -178.6 | 0 | 0 | 0 | 107.4 | K171 P175 E180 V263 L264 H265 V266 | K171-I173 HydrophobicContact CG-CG1 4.26Å; I173-P175 HydrophobicContact CG2-CG 4.41Å; I173-P175 WeakPolarHBondContact O-CD 3.46Å; I173-E180 HydrophobicContact CG1-CG 4.26Å; I173-E180 HydrophobicContact CG2-CG 4.49Å; I173-V263 HydrophobicContact CD1-CG1 3.47Å; I173-V263 VanDerWaalsContact CD1-CG1 3.47Å; I173-V263 HydrophobicContact CG1-CG1 4.01Å; I173-L264 PolarHBondContact N-O 3.31Å; I173-H265 CarbonylContact O-C 3.59Å; I173-H265 WeakPolarHBondContact O-CA 3.42Å; I173-V266 PolarHBondContact O-N 2.91Å |
| 174 | F | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 91.9 | 175.8 | -64.7 | -97.3 | 0 | 0 | 0 | 107.7 | L172 Q176 S177 S178 S179 F181 Y199 I200 L213 Y216 V266 | L172-F174 HydrophobicContact CB-CD2 4.45Å; L172-F174 HydrophobicContact CB-CE2 3.75Å; L172-F174 HydrophobicContact CB-CZ 4.44Å; L172-F174 HydrophobicContact CD1-CE2 4.42Å; F174-Q176 PolarHBondContact O-N 2.93Å; F174-S177 WeakPolarHBondContact CB-OG 3.39Å; F174-S177 PolarHBondContact O-N 2.73Å; F174-S177 PolarHBondContact O-OG 2.7Å; F174-S178 PolarHBondContact O-N 2.99Å; F174-S178 VanDerWaalsContact O-N 3.1Å; F174-S179 PolarHBondContact N-O 3Å; F174-S179 PolarHBondContact O-N 3.26Å; F174-S179 VanDerWaalsContact O-N 3.14Å; F174-F181 AromaticContact CD2-CD2 3.74Å; F174-F181 HydrophobicContact CD2-CD2 3.74Å; F174-F181 AromaticContact CD2-CE2 3.94Å; F174-F181 HydrophobicContact CD2-CE2 3.94Å; F174-F181 AromaticContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CE2 4.04Å; F174-Y199 HydrophobicContact CZ-CG 4.28Å; F174-I200 HydrophobicContact CE1-CD1 4.41Å; F174-I200 HydrophobicContact CE1-CG1 4.33Å; F174-L213 HydrophobicContact CB-CD2 3.8Å; F174-L213 HydrophobicContact CD1-CD1 4.04Å; F174-L213 HydrophobicContact CD1-CD2 3.73Å; F174-L213 HydrophobicContact CD2-CD1 4.24Å; F174-L213 HydrophobicContact CD2-CD2 3.98Å; F174-L213 HydrophobicContact CE1-CD1 3.7Å; F174-L213 HydrophobicContact CE1-CD2 4.27Å; F174-L213 HydrophobicContact CE2-CD1 3.91Å; F174-L213 HydrophobicContact CE2-CD2 4.49Å; F174-L213 HydrophobicContact CG-CD1 4.3Å; F174-L213 HydrophobicContact CG-CD2 3.57Å; F174-L213 HydrophobicContact CZ-CD1 3.63Å; F174-Y216 WeakPolarHBondContact CA-OH 3.09Å; F174-Y216 HydrophobicContact CB-CE2 3.83Å; F174-Y216 HydrophobicContact CD1-CD1 4.09Å; F174-Y216 HydrophobicContact CD1-CD2 4.05Å; F174-Y216 AromaticContact CD1-CE1 3.89Å; F174-Y216 HydrophobicContact CD1-CE1 3.89Å; F174-Y216 AromaticContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CG 4.15Å; F174-Y216 AromaticContact CD1-CZ 3.77Å; F174-Y216 HydrophobicContact CG-CE2 4.34Å; F174-V266 HydrophobicContact CD1-CB 3.74Å; F174-V266 HydrophobicContact CD1-CG1 3.99Å; F174-V266 HydrophobicContact CD1-CG2 4.3Å; F174-V266 HydrophobicContact CE1-CB 3.72Å; F174-V266 HydrophobicContact CE1-CG1 3.73Å; F174-V266 HydrophobicContact CE1-CG2 3.9Å; F174-V266 HydrophobicContact CG-CB 4.41Å; F174-V266 HydrophobicContact CZ-CB 4.37Å; F174-V266 HydrophobicContact CZ-CG2 4.07Å |
| 175 | P | 88.1 | Confident | 91.2 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 28% | 0.279 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -61.2 | -34.1 | -171.1 | -23.1 | 34.5 | 0 | 0 | 0 | 113 | I173 S178 Y216 V266 V267 Y275 | I173-P175 HydrophobicContact CG2-CG 4.41Å; I173-P175 WeakPolarHBondContact O-CD 3.46Å; P175-S178 PolarHBondContact O-N 3.21Å; P175-Y216 WeakPolarHBondContact CD-OH 3.31Å; P175-V266 VanDerWaalsContact CD-O 3.24Å; P175-V266 WeakPolarHBondContact CD-O 3.47Å; P175-V267 HydrophobicContact CG-CG2 4.27Å; P175-Y275 VanDerWaalsContact CG-OH 3.26Å; P175-Y275 WeakPolarHBondContact CG-OH 3.23Å |
| 176 | Q | 84.3 | Confident | 91.1 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -74.8 | -28.3 | -173.6 | -57.7 | -55.4 | -39.8 | 0 | 0 | 113.4 | F174 Y216 L268 H271 | F174-Q176 PolarHBondContact O-N 2.93Å; Q176-Y216 HydrophobicContact CB-CE2 3.91Å; Q176-Y216 WeakPolarHBondContact CB-OH 3.47Å; Q176-Y216 PolarHBondContact N-OH 3.22Å; Q176-L268 HydrophobicContact CB-CD1 4.41Å; Q176-L268 HydrophobicContact CG-CD1 4.28Å; Q176-L268 HydrophobicContact CG-CG 4.49Å; Q176-H271 VanDerWaalsContact CD-CE1 3.41Å; Q176-H271 VanDerWaalsContact CD-ND1 3.33Å; Q176-H271 PolarHBondContact NE2-CD2 2.88Å; Q176-H271 VanDerWaalsContact NE2-CD2 3.28Å; Q176-H271 PolarHBondContact NE2-CE1 3.47Å; Q176-H271 PolarHBondContact NE2-ND1 3.22Å; Q176-H271 PolarHBondContact OE1-CE1 2.87Å; Q176-H271 PolarHBondContact OE1-ND1 2.86Å; Q176-H271 PolarHBondContact OE1-NE2 3.43Å |
| 177 | S | 82.9 | Confident | 91.1 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -98.9 | 5.9 | 171.6 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | F174 S179 K212 L213 | F174-S177 WeakPolarHBondContact CB-OG 3.39Å; F174-S177 PolarHBondContact O-N 2.73Å; F174-S177 PolarHBondContact O-OG 2.7Å; S177-S179 PolarHBondContact O-N 2.92Å; S177-S179 PolarHBondContact O-OG 3.07Å; S177-K212 VanDerWaalsContact CB-O 3.24Å; S177-K212 WeakPolarHBondContact CB-O 3.34Å; S177-L213 WeakPolarHBondContact OG-CD2 3.45Å |
| 178 | S | 84.9 | Confident | 90.9 | Very high | 115 Ų | 115 | 46.6 Ų | 46.6 | 80% | 0.804 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 30.2 | -172.4 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | F174 P175 | F174-S178 PolarHBondContact O-N 2.99Å; F174-S178 VanDerWaalsContact O-N 3.1Å; P175-S178 PolarHBondContact O-N 3.21Å |
| 179 | S | 87.9 | Confident | 90.8 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.5 | -170.3 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | F174 S177 | F174-S179 PolarHBondContact N-O 3Å; F174-S179 PolarHBondContact O-N 3.26Å; F174-S179 VanDerWaalsContact O-N 3.14Å; S177-S179 PolarHBondContact O-N 2.92Å; S177-S179 PolarHBondContact O-OG 3.07Å |
| 180 | E | 92.1 | Very high | 90.6 | Very high | 111 Ų | 111 | 53 Ų | 53 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.2 | 177.5 | -56.2 | -169.3 | 154 | 0 | 0 | 109.9 | K171 L172 I173 | K171-E180 WeakPolarHBondContact CE-OE2 3.49Å; K171-E180 IonicContact NZ-OE1 2.65Å; K171-E180 IonicContact NZ-OE2 2.68Å; K171-E180 PolarHBondContact NZ-OE2 3.08Å; L172-E180 WeakPolarHBondContact O-CA 3.41Å; I173-E180 HydrophobicContact CG1-CG 4.26Å; I173-E180 HydrophobicContact CG2-CG 4.49Å |
| 181 | F | 90.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.8 | 177.7 | -60.1 | -93.4 | 0 | 0 | 0 | 109.7 | K171 L172 F174 Y199 T209 K212 L213 | K171-F181 CarbonylContact C-O 3.6Å; K171-F181 WeakPolarHBondContact CA-O 3.47Å; L172-F181 PolarHBondContact N-O 3.39Å; L172-F181 PolarHBondContact O-N 3.25Å; F174-F181 AromaticContact CD2-CD2 3.74Å; F174-F181 HydrophobicContact CD2-CD2 3.74Å; F174-F181 AromaticContact CD2-CE2 3.94Å; F174-F181 HydrophobicContact CD2-CE2 3.94Å; F174-F181 AromaticContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CE2 4.04Å; F181-Y199 HydrophobicContact CB-CE1 3.78Å; F181-Y199 HydrophobicContact CD1-CD1 4.42Å; F181-Y199 AromaticContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD2-CD1 4.34Å; F181-Y199 HydrophobicContact CD2-CE1 4.39Å; F181-Y199 HydrophobicContact CG-CD1 4.19Å; F181-Y199 AromaticContact CG-CE1 3.81Å; F181-Y199 HydrophobicContact CG-CE1 3.81Å; F181-T209 HydrophobicContact CE1-CG2 3.89Å; F181-T209 HydrophobicContact CZ-CG2 3.82Å; F181-K212 HydrophobicContact CZ-CD 4.37Å; F181-L213 HydrophobicContact CE2-CD1 4Å; F181-L213 HydrophobicContact CE2-CD2 4.06Å; F181-L213 HydrophobicContact CE2-CG 4.15Å; F181-L213 HydrophobicContact CZ-CD1 4.4Å; F181-L213 HydrophobicContact CZ-CG 4.39Å |
| 182 | S | 91.3 | Very high | 90.3 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 46% | 0.462 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.4 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | L170 | L170-S182 CarbonylContact O-C 3.6Å; L170-S182 WeakPolarHBondContact O-CA 3.39Å |
| 183 | Q | 89.8 | Confident | 90.1 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.9 | 179.3 | -158.3 | 179.5 | 10.9 | 0 | 0 | 109.9 | H169 L170 V186 | H169-Q183 CarbonylContact C-O 3.54Å; H169-Q183 WeakPolarHBondContact CA-O 3.25Å; L170-Q183 HydrophobicContact CB-CB 4.49Å; L170-Q183 PolarHBondContact N-O 2.79Å; L170-Q183 PolarHBondContact O-N 3.26Å; Q183-V186 HydrophobicContact CB-CG2 3.88Å; Q183-V186 HydrophobicContact CG-CG2 3.53Å |
| 184 | R | 92.3 | Very high | 89.9 | Confident | 184 Ų | 184 | 59.7 Ų | 59.7 | 69% | 0.694 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 148.8 | 179.2 | -58.7 | -176.9 | 179.8 | 172.9 | -0.9 | 109.9 | S156 | S156-R184 WeakPolarHBondContact OG-CG 3.34Å |
| 185 | R | 90.9 | Very high | 89.8 | Confident | 200 Ų | 200 | 59.9 Ų | 59.9 | 76% | 0.755 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 61.2 | 38.5 | 172.5 | -56.1 | -177.2 | 179.9 | -178 | 0.4 | 115.5 | L167 W168 | L167-R185 HydrophobicContact CD1-CB 4.34Å; W168-R185 PolarHBondContact O-N 2.91Å; W168-R185 VanDerWaalsContact O-N 3.15Å |
| 186 | V | 92.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 122.2 | 178.8 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | L167 W168 L170 Q183 I195 L249 | L167-V186 CarbonylContact C-O 3.59Å; L167-V186 WeakPolarHBondContact CA-O 3.43Å; W168-V186 PolarHBondContact N-O 3.06Å; W168-V186 PolarHBondContact O-N 3.48Å; L170-V186 HydrophobicContact CD1-CB 3.9Å; L170-V186 HydrophobicContact CD1-CG1 3.74Å; L170-V186 HydrophobicContact CD1-CG2 3.92Å; L170-V186 HydrophobicContact CG-CB 4.19Å; L170-V186 HydrophobicContact CG-CG2 4.11Å; Q183-V186 HydrophobicContact CB-CG2 3.88Å; Q183-V186 HydrophobicContact CG-CG2 3.53Å; V186-I195 HydrophobicContact CG1-CD1 3.63Å; V186-I195 HydrophobicContact CG1-CG1 3.8Å; V186-L249 HydrophobicContact CG1-CD2 4.23Å |
| 187 | S | 93.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.119 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 137.9 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | Q165 S189 Q190 | Q165-S187 PolarHBondContact OE1-OG 3.5Å; S187-S189 PolarHBondContact O-N 2.72Å; S187-S189 PolarHBondContact OG-N 2.96Å; S187-S189 PolarHBondContact OG-OG 3.4Å; S187-Q190 PolarHBondContact O-N 3.43Å |
| 188 | D | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.1 | 175.2 | 73.8 | -19.4 | 0 | 0 | 0 | 114.4 | Q165 F166 R250 | Q165-D188 WeakPolarHBondContact CA-OD1 3.5Å; Q165-D188 WeakPolarHBondContact CB-OD1 3.24Å; F166-D188 HydrophobicContact CB-CB 4.09Å; F166-D188 PolarHBondContact N-OD1 2.9Å; F166-D188 PolarHBondContact N-OD2 3.47Å; F166-D188 PolarHBondContact O-N 2.71Å; D188-R250 HydrophobicContact CB-CB 4.07Å; D188-R250 VanDerWaalsContact O-CB 3.29Å; D188-R250 WeakPolarHBondContact O-CB 3.28Å; D188-R250 PolarHBondContact O-N 2.92Å; D188-R250 IonicContact OD1-CZ 2.87Å; D188-R250 IonicContact OD1-NE 3.86Å; D188-R250 IonicContact OD1-NH2 3.71Å; D188-R250 PolarHBondContact OD1-NH2 3.23Å; D188-R250 IonicContact OD2-CZ 2.88Å; D188-R250 VanDerWaalsContact OD2-CZ 3.29Å; D188-R250 IonicContact OD2-NE 3.68Å; D188-R250 PolarHBondContact OD2-NE 3.45Å; D188-R250 IonicContact OD2-NH2 2.84Å; D188-R250 PolarHBondContact OD2-NH2 2.76Å |
| 189 | S | 91.3 | Very high | 89.7 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -22.1 | 172.7 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | S187 | S187-S189 PolarHBondContact O-N 2.72Å; S187-S189 PolarHBondContact OG-N 2.96Å; S187-S189 PolarHBondContact OG-OG 3.4Å |
| 190 | Q | 92.2 | Very high | 89.2 | Confident | 73 Ų | 73 | 53.2 Ų | 53.2 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -68.4 | 144.2 | 179.5 | -70.3 | 176.4 | -30.5 | 0 | 0 | 111 | S187 I195 L249 | S187-Q190 PolarHBondContact O-N 3.43Å; Q190-I195 HydrophobicContact CB-CD1 4.19Å; Q190-I195 HydrophobicContact CB-CG1 4.12Å; Q190-L249 PolarHBondContact O-N 3.36Å |
| 191 | T | 93.3 | Very high | 88.3 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 17% | 0.172 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -79.1 | 154.6 | 173.3 | 59.6 | 0 | 0 | 0 | 0 | 111 | I193 Q194 I195 E246 K247 | T191-I193 PolarHBondContact O-N 3.39Å; T191-Q194 VanDerWaalsContact N-OE1 3.1Å; T191-Q194 PolarHBondContact O-N 2.99Å; T191-Q194 VanDerWaalsContact O-N 3.17Å; T191-Q194 VanDerWaalsContact OG1-CG 3.3Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.03Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 3.48Å; T191-I195 VanDerWaalsContact O-N 3.17Å; T191-E246 VanDerWaalsContact CG2-O 3.28Å; T191-E246 WeakPolarHBondContact CG2-O 3.46Å; T191-K247 WeakPolarHBondContact CA-O 3.39Å |
| 192 | L | 89.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -30.9 | 177 | -74.9 | -179 | 0 | 0 | 0 | 111.9 | I195 L196 V226 L243 V245 K247 L249 N252 L264 | L192-I195 HydrophobicContact CD2-CD1 4.27Å; L192-I195 PolarHBondContact O-N 2.89Å; L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.21Å; L192-V226 HydrophobicContact CD1-CG1 4.4Å; L192-L243 HydrophobicContact CD1-CB 3.53Å; L192-L243 HydrophobicContact CD1-CD1 3.88Å; L192-L243 HydrophobicContact CD1-CG 4.38Å; L192-V245 HydrophobicContact CB-CG1 4.5Å; L192-V245 PolarHBondContact N-O 3Å; L192-K247 PolarHBondContact N-O 3.13Å; L192-L249 HydrophobicContact CD2-CD1 3.96Å; L192-N252 HydrophobicContact CD1-CB 4.36Å; L192-L264 HydrophobicContact CD2-CD1 3.81Å |
| 193 | I | 89.6 | Confident | 86 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 173.2 | -139.9 | 166.1 | 0 | 0 | 0 | 111.3 | T191 I195 L196 T197 F221 V245 | T191-I193 PolarHBondContact O-N 3.39Å; I193-I195 VanDerWaalsContact C-N 3.32Å; I193-I195 PolarHBondContact O-N 3.43Å; I193-L196 CarbonylContact O-C 3.55Å; I193-L196 PolarHBondContact O-N 3.02Å; I193-L196 VanDerWaalsContact O-N 3.1Å; I193-T197 PolarHBondContact O-N 2.85Å; I193-T197 PolarHBondContact O-OG1 2.95Å; I193-F221 HydrophobicContact CG1-CD1 4.21Å; I193-F221 HydrophobicContact CG1-CE1 4.45Å; I193-V245 HydrophobicContact CB-CG1 3.78Å; I193-V245 HydrophobicContact CD1-CG1 4.24Å; I193-V245 HydrophobicContact CG1-CG1 3.77Å; I193-V245 PolarHBondContact N-O 3.43Å |
| 194 | Q | 89.5 | Confident | 85.1 | Confident | 112 Ų | 112 | 57.9 Ų | 57.9 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 179.1 | -72 | 166 | -9.6 | 0 | 0 | 112 | T191 L196 T197 | T191-Q194 VanDerWaalsContact N-OE1 3.1Å; T191-Q194 PolarHBondContact O-N 2.99Å; T191-Q194 VanDerWaalsContact O-N 3.17Å; T191-Q194 VanDerWaalsContact OG1-CG 3.3Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.03Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; Q194-T197 PolarHBondContact O-N 3.21Å |
| 195 | I | 88.9 | Confident | 84.3 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 177.3 | -65.6 | 163.5 | 0 | 0 | 0 | 110.5 | L170 V186 Q190 T191 L192 I193 Y199 L249 | L170-I195 HydrophobicContact CD1-CD1 4.23Å; L170-I195 HydrophobicContact CD1-CG2 4.27Å; V186-I195 HydrophobicContact CG1-CD1 3.63Å; V186-I195 HydrophobicContact CG1-CG1 3.8Å; Q190-I195 HydrophobicContact CB-CD1 4.19Å; Q190-I195 HydrophobicContact CB-CG1 4.12Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 3.48Å; T191-I195 VanDerWaalsContact O-N 3.17Å; L192-I195 HydrophobicContact CD2-CD1 4.27Å; L192-I195 PolarHBondContact O-N 2.89Å; I193-I195 VanDerWaalsContact C-N 3.32Å; I193-I195 PolarHBondContact O-N 3.43Å; I195-Y199 VanDerWaalsContact O-CD2 3.32Å; I195-Y199 WeakPolarHBondContact O-CD2 3.43Å; I195-L249 HydrophobicContact CD1-CB 4.25Å; I195-L249 HydrophobicContact CD1-CD2 4.13Å |
| 196 | L | 86.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.3 | -25.3 | -179.8 | -68.8 | 177.6 | 0 | 0 | 0 | 114.1 | L192 I193 Q194 A198 Y199 I200 F221 V226 V266 | L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.21Å; I193-L196 CarbonylContact O-C 3.55Å; I193-L196 PolarHBondContact O-N 3.02Å; I193-L196 VanDerWaalsContact O-N 3.1Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.06Å; L196-Y199 PolarHBondContact O-N 2.98Å; L196-I200 HydrophobicContact CB-CD1 4.08Å; L196-I200 HydrophobicContact CD1-CD1 4.39Å; L196-I200 HydrophobicContact CD2-CD1 4.3Å; L196-I200 PolarHBondContact O-N 3.35Å; L196-F221 HydrophobicContact CB-CE1 4.08Å; L196-V226 HydrophobicContact CD1-CG2 3.66Å; L196-V266 HydrophobicContact CD2-CG1 4.43Å; L196-V266 HydrophobicContact CD2-CG2 3.71Å |
| 197 | T | 86.2 | Confident | 82.8 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.6 | -42.8 | 175.5 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | I193 Q194 Y199 I200 H201 E204 | I193-T197 PolarHBondContact O-N 2.85Å; I193-T197 PolarHBondContact O-OG1 2.95Å; Q194-T197 PolarHBondContact O-N 3.21Å; T197-Y199 PolarHBondContact O-N 3.21Å; T197-I200 PolarHBondContact O-N 3.08Å; T197-H201 HydrophobicContact CG2-CB 3.54Å; T197-H201 WeakPolarHBondContact O-CB 3.36Å; T197-H201 PolarHBondContact O-N 3.36Å; T197-E204 HydrophobicContact CG2-CB 4.5Å; T197-E204 WeakPolarHBondContact CG2-OE2 3.27Å |
| 198 | A | 82.7 | Confident | 82.2 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -13.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L196 S205 | L196-A198 PolarHBondContact O-N 3.06Å; A198-S205 WeakPolarHBondContact O-CA 2.98Å |
| 199 | Y | 81.1 | Confident | 81.7 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -117.6 | -34.2 | -178.4 | -64.1 | -87.5 | 0 | 0 | 0 | 113.6 | L172 F174 F181 I195 L196 T197 T209 L213 | L172-Y199 HydrophobicContact CD1-CD1 4.39Å; L172-Y199 HydrophobicContact CD1-CD2 3.56Å; L172-Y199 HydrophobicContact CD1-CE1 4.22Å; L172-Y199 HydrophobicContact CD1-CE2 3.33Å; L172-Y199 HydrophobicContact CD1-CG 4.11Å; F174-Y199 HydrophobicContact CZ-CG 4.28Å; F181-Y199 HydrophobicContact CB-CE1 3.78Å; F181-Y199 HydrophobicContact CD1-CD1 4.42Å; F181-Y199 AromaticContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD2-CD1 4.34Å; F181-Y199 HydrophobicContact CD2-CE1 4.39Å; F181-Y199 HydrophobicContact CG-CD1 4.19Å; F181-Y199 AromaticContact CG-CE1 3.81Å; F181-Y199 HydrophobicContact CG-CE1 3.81Å; I195-Y199 VanDerWaalsContact O-CD2 3.32Å; I195-Y199 WeakPolarHBondContact O-CD2 3.43Å; L196-Y199 PolarHBondContact O-N 2.98Å; T197-Y199 PolarHBondContact O-N 3.21Å; Y199-T209 HydrophobicContact CD1-CG2 3.74Å; Y199-L213 HydrophobicContact CD1-CD1 4.49Å |
| 200 | I | 78.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -105.8 | -25 | -171.1 | -54.4 | -179.3 | 0 | 0 | 0 | 111.9 | F174 L196 T197 F221 V224 V266 | F174-I200 HydrophobicContact CE1-CD1 4.41Å; F174-I200 HydrophobicContact CE1-CG1 4.33Å; L196-I200 HydrophobicContact CB-CD1 4.08Å; L196-I200 HydrophobicContact CD1-CD1 4.39Å; L196-I200 HydrophobicContact CD2-CD1 4.3Å; L196-I200 PolarHBondContact O-N 3.35Å; T197-I200 PolarHBondContact O-N 3.08Å; I200-F221 HydrophobicContact CB-CE1 3.92Å; I200-F221 HydrophobicContact CB-CZ 3.96Å; I200-F221 HydrophobicContact CD1-CE1 4.16Å; I200-F221 HydrophobicContact CG2-CE1 4.1Å; I200-F221 HydrophobicContact CG2-CZ 4.09Å; I200-V224 HydrophobicContact CD1-CG1 4.33Å; I200-V266 HydrophobicContact CD1-CG1 4.07Å |
| 201 | H | 74 | Confident | 80.5 | Confident | 53 Ų | 53 | 57 Ų | 57 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | trans | -72.6 | 125.2 | -172.1 | -169.6 | -116.3 | 0 | 0 | 0 | 112.1 | T197 T203 E204 S205 | T197-H201 HydrophobicContact CG2-CB 3.54Å; T197-H201 WeakPolarHBondContact O-CB 3.36Å; T197-H201 PolarHBondContact O-N 3.36Å; H201-T203 PolarHBondContact O-N 3.39Å; H201-E204 HydrophobicContact CB-CB 4.23Å; H201-E204 IonicContact CE1-OE1 3.29Å; H201-E204 PolarHBondContact CE1-OE1 2.68Å; H201-E204 VanDerWaalsContact CE1-OE1 3.29Å; H201-E204 WeakPolarHBondContact ND1-CG 3.43Å; H201-E204 PolarHBondContact ND1-N 3.05Å; H201-E204 IonicContact ND1-OE1 3.29Å; H201-E204 PolarHBondContact ND1-OE1 2.86Å; H201-E204 PolarHBondContact O-N 3.39Å; H201-S205 WeakPolarHBondContact O-CB 3.37Å; H201-S205 PolarHBondContact O-N 3.17Å; H201-S205 VanDerWaalsContact O-N 3.07Å; H201-S205 PolarHBondContact O-OG 3.03Å | ||
| 202 | P | 67.2 | Low | 79.9 | Confident | 50 Ų | 50 | 61.3 Ų | 61.3 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.2 | -170.5 | 22.1 | -35.2 | 0 | 0 | 0 | 115.2 | R210 V217 | P202-R210 PolarHBondContact O-NE 3.01Å; P202-R210 PolarHBondContact O-NH1 3.37Å; P202-R210 PolarHBondContact O-NH2 2.87Å; P202-V217 HydrophobicContact CB-CG1 3.85Å |
| 203 | T | 65.6 | Low | 79.5 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 74% | 0.742 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -24.1 | -176.4 | -46.3 | 0 | 0 | 0 | 0 | 113.3 | H201 | H201-T203 PolarHBondContact O-N 3.39Š|
| 204 | E | 70.2 | Confident | 79 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -17.7 | -173.3 | -69.6 | 168.4 | -140 | 0 | 0 | 113.5 | T197 H201 | T197-E204 HydrophobicContact CG2-CB 4.5Å; T197-E204 WeakPolarHBondContact CG2-OE2 3.27Å; H201-E204 HydrophobicContact CB-CB 4.23Å; H201-E204 IonicContact CE1-OE1 3.29Å; H201-E204 PolarHBondContact CE1-OE1 2.68Å; H201-E204 VanDerWaalsContact CE1-OE1 3.29Å; H201-E204 WeakPolarHBondContact ND1-CG 3.43Å; H201-E204 PolarHBondContact ND1-N 3.05Å; H201-E204 IonicContact ND1-OE1 3.29Å; H201-E204 PolarHBondContact ND1-OE1 2.86Å; H201-E204 PolarHBondContact O-N 3.39Å |
| 205 | S | 75 | Confident | 78.4 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -72.6 | 138.7 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 111.8 | A198 H201 R210 | A198-S205 WeakPolarHBondContact O-CA 2.98Å; H201-S205 WeakPolarHBondContact O-CB 3.37Å; H201-S205 PolarHBondContact O-N 3.17Å; H201-S205 VanDerWaalsContact O-N 3.07Å; H201-S205 PolarHBondContact O-OG 3.03Å; S205-R210 WeakPolarHBondContact OG-CB 3.15Å |
| 206 | D | 78.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | trans | -47.3 | 133.6 | 170.2 | 153.7 | 62.1 | 0 | 0 | 0 | 111.8 | V208 T209 R210 | D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.17Å; D206-V208 PolarHBondContact OD1-N 3.38Å; D206-V208 WeakPolarHBondContact OD2-CB 3.27Å; D206-V208 PolarHBondContact OD2-N 3.18Å; D206-T209 CarbonylContact O-C 3.5Å; D206-T209 WeakPolarHBondContact O-CB 3.42Å; D206-T209 PolarHBondContact O-N 2.56Å; D206-T209 VanDerWaalsContact O-N 3.13Å; D206-T209 VanDerWaalsContact OD2-CB 3.23Å; D206-T209 WeakPolarHBondContact OD2-CB 3.34Å; D206-T209 PolarHBondContact OD2-N 3.03Å; D206-T209 PolarHBondContact OD2-OG1 3.45Å; D206-R210 WeakPolarHBondContact O-CB 3.49Å; D206-R210 PolarHBondContact O-N 2.83Å | ||
| 207 | P | 75.1 | Confident | 77.4 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 67% | 0.669 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.2 | -35.7 | -176.8 | -28.9 | 35.8 | 0 | 0 | 0 | 115.2 | Q211 | P207-Q211 WeakPolarHBondContact O-CB 3.37Å; P207-Q211 PolarHBondContact O-N 3.33Å |
| 208 | V | 79.8 | Confident | 76.5 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 53% | 0.527 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.9 | -42.1 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | D206 Q211 K212 | D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.17Å; D206-V208 PolarHBondContact OD1-N 3.38Å; D206-V208 WeakPolarHBondContact OD2-CB 3.27Å; D206-V208 PolarHBondContact OD2-N 3.18Å; V208-Q211 PolarHBondContact O-N 3.36Å; V208-K212 WeakPolarHBondContact O-CG 3.49Å; V208-K212 PolarHBondContact O-N 3.46Å; V208-K212 VanDerWaalsContact O-N 3.15Å |
| 209 | T | 80.3 | Confident | 75.8 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 10% | 0.098 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 173.7 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | F181 Y199 D206 Q211 K212 L213 | F181-T209 HydrophobicContact CE1-CG2 3.89Å; F181-T209 HydrophobicContact CZ-CG2 3.82Å; Y199-T209 HydrophobicContact CD1-CG2 3.74Å; D206-T209 CarbonylContact O-C 3.5Å; D206-T209 WeakPolarHBondContact O-CB 3.42Å; D206-T209 PolarHBondContact O-N 2.56Å; D206-T209 VanDerWaalsContact O-N 3.13Å; D206-T209 VanDerWaalsContact OD2-CB 3.23Å; D206-T209 WeakPolarHBondContact OD2-CB 3.34Å; D206-T209 PolarHBondContact OD2-N 3.03Å; D206-T209 PolarHBondContact OD2-OG1 3.45Å; T209-Q211 VanDerWaalsContact C-N 3.33Å; T209-Q211 PolarHBondContact O-N 2.96Å; T209-K212 PolarHBondContact O-N 3.41Å; T209-K212 VanDerWaalsContact O-N 3.17Å; T209-L213 HydrophobicContact CG2-CD1 3.89Å; T209-L213 HydrophobicContact CG2-CG 4.39Å; T209-L213 WeakPolarHBondContact O-CB 3.43Å; T209-L213 WeakPolarHBondContact O-CG 3.07Å; T209-L213 PolarHBondContact O-N 2.89Å |
| 210 | R | 79 | Confident | 75.1 | Confident | 114 Ų | 114 | 75.6 Ų | 75.6 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 175.1 | -165.2 | -176.4 | 169.4 | -171.3 | -0.3 | 112.3 | P202 S205 D206 L213 K214 V217 | P202-R210 PolarHBondContact O-NE 3.01Å; P202-R210 PolarHBondContact O-NH1 3.37Å; P202-R210 PolarHBondContact O-NH2 2.87Å; S205-R210 WeakPolarHBondContact OG-CB 3.15Å; D206-R210 WeakPolarHBondContact O-CB 3.49Å; D206-R210 PolarHBondContact O-N 2.83Å; R210-L213 CarbonylContact O-C 3.43Å; R210-L213 PolarHBondContact O-N 3.31Å; R210-K214 PolarHBondContact O-N 3.06Å; R210-V217 HydrophobicContact CG-CG1 4.39Å; R210-V217 HydrophobicContact CG-CG2 3.94Å |
| 211 | Q | 80.8 | Confident | 74.6 | Confident | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 176.3 | 179.4 | 74.6 | 1.6 | 0 | 0 | 111.6 | P207 V208 T209 K214 | P207-Q211 WeakPolarHBondContact O-CB 3.37Å; P207-Q211 PolarHBondContact O-N 3.33Å; V208-Q211 PolarHBondContact O-N 3.36Å; T209-Q211 VanDerWaalsContact C-N 3.33Å; T209-Q211 PolarHBondContact O-N 2.96Å; Q211-K214 VanDerWaalsContact CD-NZ 3.34Å; Q211-K214 WeakPolarHBondContact O-CG 3.5Å |
| 212 | K | 79.7 | Confident | 74.3 | Confident | 120 Ų | 120 | 83 Ų | 83 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 176.8 | -69.4 | 174.8 | -179.2 | 176.5 | 0 | 112.4 | S177 F181 V208 T209 | S177-K212 VanDerWaalsContact CB-O 3.24Å; S177-K212 WeakPolarHBondContact CB-O 3.34Å; F181-K212 HydrophobicContact CZ-CD 4.37Å; V208-K212 WeakPolarHBondContact O-CG 3.49Å; V208-K212 PolarHBondContact O-N 3.46Å; V208-K212 VanDerWaalsContact O-N 3.15Å; T209-K212 PolarHBondContact O-N 3.41Å; T209-K212 VanDerWaalsContact O-N 3.17Å |
| 213 | L | 81.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 17.6 | -176.9 | -60.6 | -173.1 | 0 | 0 | 0 | 113.7 | F174 S177 F181 Y199 T209 R210 M215 Y216 V217 | F174-L213 HydrophobicContact CB-CD2 3.8Å; F174-L213 HydrophobicContact CD1-CD1 4.04Å; F174-L213 HydrophobicContact CD1-CD2 3.73Å; F174-L213 HydrophobicContact CD2-CD1 4.24Å; F174-L213 HydrophobicContact CD2-CD2 3.98Å; F174-L213 HydrophobicContact CE1-CD1 3.7Å; F174-L213 HydrophobicContact CE1-CD2 4.27Å; F174-L213 HydrophobicContact CE2-CD1 3.91Å; F174-L213 HydrophobicContact CE2-CD2 4.49Å; F174-L213 HydrophobicContact CG-CD1 4.3Å; F174-L213 HydrophobicContact CG-CD2 3.57Å; F174-L213 HydrophobicContact CZ-CD1 3.63Å; S177-L213 WeakPolarHBondContact OG-CD2 3.45Å; F181-L213 HydrophobicContact CE2-CD1 4Å; F181-L213 HydrophobicContact CE2-CD2 4.06Å; F181-L213 HydrophobicContact CE2-CG 4.15Å; F181-L213 HydrophobicContact CZ-CD1 4.4Å; F181-L213 HydrophobicContact CZ-CG 4.39Å; Y199-L213 HydrophobicContact CD1-CD1 4.49Å; T209-L213 HydrophobicContact CG2-CD1 3.89Å; T209-L213 HydrophobicContact CG2-CG 4.39Å; T209-L213 WeakPolarHBondContact O-CB 3.43Å; T209-L213 WeakPolarHBondContact O-CG 3.07Å; T209-L213 PolarHBondContact O-N 2.89Å; R210-L213 CarbonylContact O-C 3.43Å; R210-L213 PolarHBondContact O-N 3.31Å; L213-M215 VanDerWaalsContact C-N 3.27Å; L213-M215 PolarHBondContact O-N 3.13Å; L213-Y216 HydrophobicContact CB-CD2 4.47Å; L213-Y216 HydrophobicContact CD2-CD2 4.17Å; L213-Y216 HydrophobicContact CD2-CE2 4.46Å; L213-Y216 WeakPolarHBondContact O-CA 3.3Å; L213-Y216 WeakPolarHBondContact O-CB 3.45Å; L213-Y216 PolarHBondContact O-N 2.78Å; L213-V217 PolarHBondContact O-N 3.22Å; L213-V217 VanDerWaalsContact O-N 3.12Å |
| 214 | K | 78.1 | Confident | 75.8 | Confident | 99 Ų | 99 | 77.9 Ų | 77.9 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -42 | -48.3 | -177.5 | -95.2 | 175.3 | 168 | 172.6 | 0 | 114.2 | R210 Q211 Y216 V217 H218 | R210-K214 PolarHBondContact O-N 3.06Å; Q211-K214 VanDerWaalsContact CD-NZ 3.34Å; Q211-K214 WeakPolarHBondContact O-CG 3.5Å; K214-Y216 VanDerWaalsContact C-N 3.33Å; K214-Y216 PolarHBondContact O-N 2.96Å; K214-V217 PolarHBondContact O-N 3.49Å; K214-H218 PolarHBondContact O-N 3.06Å; K214-H218 PolarHBondContact O-ND1 3.49Å |
| 215 | M | 77.3 | Confident | 76.7 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 178.9 | -66.5 | -175.8 | 69.1 | 0 | 0 | 112.2 | L213 V217 H218 H219 L268 | L213-M215 VanDerWaalsContact C-N 3.27Å; L213-M215 PolarHBondContact O-N 3.13Å; M215-V217 PolarHBondContact O-N 3.24Å; M215-H218 PolarHBondContact O-N 2.73Å; M215-H219 PolarHBondContact O-CD2 2.88Å; M215-L268 HydrophobicContact CB-CD1 4.33Å |
| 216 | Y | 77.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | 178.5 | -65.2 | -93.9 | 0 | 0 | 0 | 112.5 | F174 P175 Q176 L213 K214 H218 H219 V266 L268 | F174-Y216 WeakPolarHBondContact CA-OH 3.09Å; F174-Y216 HydrophobicContact CB-CE2 3.83Å; F174-Y216 HydrophobicContact CD1-CD1 4.09Å; F174-Y216 HydrophobicContact CD1-CD2 4.05Å; F174-Y216 AromaticContact CD1-CE1 3.89Å; F174-Y216 HydrophobicContact CD1-CE1 3.89Å; F174-Y216 AromaticContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CG 4.15Å; F174-Y216 AromaticContact CD1-CZ 3.77Å; F174-Y216 HydrophobicContact CG-CE2 4.34Å; P175-Y216 WeakPolarHBondContact CD-OH 3.31Å; Q176-Y216 HydrophobicContact CB-CE2 3.91Å; Q176-Y216 WeakPolarHBondContact CB-OH 3.47Å; Q176-Y216 PolarHBondContact N-OH 3.22Å; L213-Y216 HydrophobicContact CB-CD2 4.47Å; L213-Y216 HydrophobicContact CD2-CD2 4.17Å; L213-Y216 HydrophobicContact CD2-CE2 4.46Å; L213-Y216 WeakPolarHBondContact O-CA 3.3Å; L213-Y216 WeakPolarHBondContact O-CB 3.45Å; L213-Y216 PolarHBondContact O-N 2.78Å; K214-Y216 VanDerWaalsContact C-N 3.33Å; K214-Y216 PolarHBondContact O-N 2.96Å; Y216-H218 VanDerWaalsContact C-N 3.27Å; Y216-H218 PolarHBondContact O-N 2.9Å; Y216-H219 PolarHBondContact O-N 3.11Å; Y216-V266 HydrophobicContact CD1-CG1 4.2Å; Y216-V266 HydrophobicContact CE1-CB 4.45Å; Y216-V266 HydrophobicContact CE1-CG1 4Å; Y216-V266 VanDerWaalsContact CE1-O 3.27Å; Y216-V266 WeakPolarHBondContact CE1-O 3.31Å; Y216-V266 PolarHBondContact OH-O 2.99Å; Y216-L268 HydrophobicContact CD1-CD1 4.4Å; Y216-L268 HydrophobicContact CD1-CD2 3.61Å; Y216-L268 HydrophobicContact CD1-CG 3.86Å; Y216-L268 HydrophobicContact CE1-CD1 4.36Å; Y216-L268 HydrophobicContact CE1-CD2 3.96Å; Y216-L268 HydrophobicContact CE1-CG 3.72Å; Y216-L268 HydrophobicContact CG-CD2 4.3Å |
| 217 | V | 76.2 | Confident | 78.2 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -26.9 | 179.3 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | P202 R210 L213 K214 M215 | P202-V217 HydrophobicContact CB-CG1 3.85Å; R210-V217 HydrophobicContact CG-CG1 4.39Å; R210-V217 HydrophobicContact CG-CG2 3.94Å; L213-V217 PolarHBondContact O-N 3.22Å; L213-V217 VanDerWaalsContact O-N 3.12Å; K214-V217 PolarHBondContact O-N 3.49Å; M215-V217 PolarHBondContact O-N 3.24Å |
| 218 | H | 67.8 | Low | 79.1 | Confident | 155 Ų | 155 | 66 Ų | 66 | 72% | 0.718 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.4 | 177 | -68.2 | 75.5 | 0 | 0 | 0 | 113.2 | K214 M215 Y216 | K214-H218 PolarHBondContact O-N 3.06Å; K214-H218 PolarHBondContact O-ND1 3.49Å; M215-H218 PolarHBondContact O-N 2.73Å; Y216-H218 VanDerWaalsContact C-N 3.27Å; Y216-H218 PolarHBondContact O-N 2.9Å |
| 219 | H | 69.3 | Low | 79.6 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -104.8 | 129.2 | 175.4 | -65.3 | -60.7 | 0 | 0 | 0 | 110.2 | M215 Y216 H223 L268 | M215-H219 PolarHBondContact O-CD2 2.88Å; Y216-H219 PolarHBondContact O-N 3.11Å; H219-H223 HydrophobicContact CB-CB 4.44Å; H219-L268 HydrophobicContact CB-CD2 4.03Å |
| 220 | Q | 65.6 | Low | 80.1 | Confident | 138 Ų | 138 | 65 Ų | 65 | 65% | 0.645 | 30% | 0.297 | S | S | * | . | trans | -61.2 | 151.8 | 173.5 | -68.9 | 169 | -53.1 | 0 | 0 | 110.9 | E222 H223 | Q220-E222 PolarHBondContact O-N 3.36Å; Q220-H223 PolarHBondContact O-N 3.03Å | ||
| 221 | F | 68.1 | Low | 80.6 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -52.9 | -28.7 | -178.1 | -73.7 | -86.6 | 0 | 0 | 0 | 113.6 | I193 L196 I200 H223 V224 | I193-F221 HydrophobicContact CG1-CD1 4.21Å; I193-F221 HydrophobicContact CG1-CE1 4.45Å; L196-F221 HydrophobicContact CB-CE1 4.08Å; I200-F221 HydrophobicContact CB-CE1 3.92Å; I200-F221 HydrophobicContact CB-CZ 3.96Å; I200-F221 HydrophobicContact CD1-CE1 4.16Å; I200-F221 HydrophobicContact CG2-CE1 4.1Å; I200-F221 HydrophobicContact CG2-CZ 4.09Å; F221-H223 PolarHBondContact O-N 2.91Å; F221-V224 WeakPolarHBondContact O-CB 3.33Å; F221-V224 PolarHBondContact O-N 3.31Å |
| 222 | E | 67.8 | Low | 80.5 | Confident | 159 Ų | 159 | 60.5 Ų | 60.5 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -57.8 | -25.7 | 174.6 | -62.2 | 178.5 | -164.6 | 0 | 0 | 114.3 | Q220 | Q220-E222 PolarHBondContact O-N 3.36Š|
| 223 | H | 78.2 | Confident | 80.4 | Confident | 56 Ų | 56 | 59 Ų | 59 | 26% | 0.259 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -94.9 | 6 | 177.3 | -67.8 | 153.9 | 0 | 0 | 0 | 113.6 | H219 Q220 F221 R269 | H219-H223 HydrophobicContact CB-CB 4.44Å; Q220-H223 PolarHBondContact O-N 3.03Å; F221-H223 PolarHBondContact O-N 2.91Å; H223-R269 HydrophobicContact CB-CB 4.29Å; H223-R269 PolarHBondContact NE2-NH1 2.87Å; H223-R269 PolarHBondContact O-N 3.32Å |
| 224 | V | 85 | Confident | 80.1 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.4 | 179.9 | -175 | 0 | 0 | 0 | 0 | 109.4 | I200 F221 V266 L268 | I200-V224 HydrophobicContact CD1-CG1 4.33Å; F221-V224 WeakPolarHBondContact O-CB 3.33Å; F221-V224 PolarHBondContact O-N 3.31Å; V224-V266 HydrophobicContact CG1-CG1 3.37Å; V224-L268 HydrophobicContact CG2-CD2 4.16Å |
| 225 | K | 89.6 | Confident | 79.7 | Confident | 55 Ų | 55 | 67.1 Ų | 67.1 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.3 | 168 | -73.9 | -171.2 | 177.7 | -149.6 | 0 | 110.9 | F227 E242 V267 W272 | K225-F227 HydrophobicContact CB-CD2 4.49Å; K225-F227 HydrophobicContact CB-CE1 4.39Å; K225-F227 HydrophobicContact CB-CE2 3.72Å; K225-F227 HydrophobicContact CB-CZ 3.67Å; K225-F227 HydrophobicContact CD-CZ 3.94Å; K225-F227 HydrophobicContact CG-CZ 4.46Å; K225-E242 WeakPolarHBondContact CE-OE1 3.46Å; K225-E242 VanDerWaalsContact NZ-CD 3.31Å; K225-E242 IonicContact NZ-OE1 3.26Å; K225-E242 PolarHBondContact NZ-OE1 3.3Å; K225-E242 IonicContact NZ-OE2 2.56Å; K225-E242 PolarHBondContact NZ-OE2 2.89Å; K225-V267 PolarHBondContact N-O 3.29Å; K225-V267 PolarHBondContact O-N 3.27Å; K225-W272 HydrophobicContact CD-CD2 3.8Å; K225-W272 HydrophobicContact CD-CE3 4.25Å; K225-W272 HydrophobicContact CD-CG 4.27Å; K225-W272 HydrophobicContact CD-CH2 4.28Å; K225-W272 HydrophobicContact CD-CZ2 3.82Å; K225-W272 HydrophobicContact CD-CZ3 4.47Å; K225-W272 HydrophobicContact CG-CD2 4.32Å; K225-W272 HydrophobicContact CG-CH2 4.45Å; K225-W272 HydrophobicContact CG-CZ2 3.64Å |
| 226 | V | 91.9 | Very high | 79.6 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.8 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | L192 L196 L243 V245 L264 H265 | L192-V226 HydrophobicContact CD1-CG1 4.4Å; L196-V226 HydrophobicContact CD1-CG2 3.66Å; V226-L243 HydrophobicContact CB-CB 4.12Å; V226-L243 HydrophobicContact CG1-CB 4.16Å; V226-L243 HydrophobicContact CG1-CD1 3.96Å; V226-L243 HydrophobicContact CG1-CG 4.26Å; V226-L243 PolarHBondContact O-N 3.44Å; V226-V245 HydrophobicContact CG2-CG2 4.24Å; V226-L264 HydrophobicContact CG1-CB 3.97Å; V226-L264 HydrophobicContact CG1-CD1 4.38Å; V226-H265 CarbonylContact C-O 3.57Å; V226-H265 WeakPolarHBondContact CA-O 3.08Å |
| 227 | F | 93.3 | Very high | 79.8 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.2 | 179.7 | -62.2 | -68.1 | 0 | 0 | 0 | 111.1 | K225 Y240 H241 E242 H265 V267 Y275 L277 | K225-F227 HydrophobicContact CB-CD2 4.49Å; K225-F227 HydrophobicContact CB-CE1 4.39Å; K225-F227 HydrophobicContact CB-CE2 3.72Å; K225-F227 HydrophobicContact CB-CZ 3.67Å; K225-F227 HydrophobicContact CD-CZ 3.94Å; K225-F227 HydrophobicContact CG-CZ 4.46Å; F227-Y240 HydrophobicContact CB-CD1 4.04Å; F227-Y240 HydrophobicContact CB-CG 4.31Å; F227-H241 CarbonylContact C-O 3.52Å; F227-H241 WeakPolarHBondContact CA-O 3.27Å; F227-E242 HydrophobicContact CD1-CB 4.25Å; F227-E242 HydrophobicContact CD1-CG 4.41Å; F227-E242 HydrophobicContact CE1-CB 4.08Å; F227-E242 HydrophobicContact CE1-CG 3.95Å; F227-H265 HydrophobicContact CB-CB 4.35Å; F227-H265 PolarHBondContact N-O 2.61Å; F227-H265 PolarHBondContact O-N 3.15Å; F227-V267 HydrophobicContact CD2-CB 3.9Å; F227-V267 HydrophobicContact CD2-CG2 3.73Å; F227-V267 HydrophobicContact CE2-CB 3.9Å; F227-V267 HydrophobicContact CE2-CG1 4.34Å; F227-V267 HydrophobicContact CE2-CG2 4.23Å; F227-Y275 HydrophobicContact CB-CD1 3.81Å; F227-Y275 HydrophobicContact CB-CE1 4.45Å; F227-Y275 HydrophobicContact CB-CG 4.47Å; F227-Y275 AromaticContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD2 4.35Å; F227-Y275 AromaticContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CE2-CG 4.15Å; F227-Y275 AromaticContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CG 4.12Å; F227-L277 HydrophobicContact CD1-CD2 4.16Å; F227-L277 HydrophobicContact CE1-CD2 3.8Å |
| 228 | M | 93.6 | Very high | 80.2 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.5 | 171.3 | -174.4 | -179.7 | 76.8 | 0 | 0 | 109.8 | A230 Y240 H241 L243 L253 K256 P262 L264 | M228-A230 PolarHBondContact O-N 3.5Å; M228-Y240 WeakPolarHBondContact O-CA 3.38Å; M228-H241 PolarHBondContact N-O 2.87Å; M228-H241 PolarHBondContact O-N 3.06Å; M228-L243 HydrophobicContact CB-CD1 4.19Å; M228-L243 HydrophobicContact CB-CD2 4.19Å; M228-L243 HydrophobicContact CB-CG 4.28Å; M228-L253 HydrophobicContact CE-CD2 4.26Å; M228-L253 HydrophobicContact SD-CD2 3.74Å; M228-K256 HydrophobicContact CE-CB 3.64Å; M228-K256 HydrophobicContact CE-CD 3.7Å; M228-K256 HydrophobicContact CE-CG 4.18Å; M228-P262 HydrophobicContact SD-CB 4.35Å; M228-L264 HydrophobicContact CB-CD2 4.31Å; M228-L264 HydrophobicContact CG-CD2 4.45Å |
| 229 | K | 91.4 | Very high | 81.2 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 34% | 0.335 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 138.2 | 179.6 | -174.5 | 179.2 | 164.1 | -131 | 0 | 111.5 | E231 V238 Y240 | K229-E231 WeakPolarHBondContact CD-OE1 3.47Å; K229-E231 IonicContact NZ-OE1 3.02Å; K229-E231 PolarHBondContact NZ-OE1 3.11Å; K229-E231 IonicContact NZ-OE2 3.03Å; K229-E231 PolarHBondContact NZ-OE2 3.14Å; K229-E231 PolarHBondContact O-N 3.22Å; K229-V238 HydrophobicContact CG-CG1 4.37Å; K229-Y240 HydrophobicContact CB-CD1 4.3Å; K229-Y240 HydrophobicContact CB-CE1 4.09Å |
| 230 | A | 90.1 | Very high | 82.2 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 5% | 0.05 | 36% | 0.36 | C | S | . | . | trans | -86.5 | 99.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | M228 R239 H241 | M228-A230 PolarHBondContact O-N 3.5Å; A230-R239 VanDerWaalsContact CB-O 3.27Å; A230-R239 WeakPolarHBondContact CB-O 3.42Å; A230-R239 PolarHBondContact N-O 2.97Å; A230-H241 VanDerWaalsContact CB-CE1 3.48Å; A230-H241 WeakPolarHBondContact CB-CE1 3.23Å | ||
| 231 | E | 88.9 | Confident | 83.4 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | trans | -72.4 | 156.7 | -179.9 | -61.5 | -58.2 | 163.4 | 0 | 0 | 113.2 | K229 T257 I259 | K229-E231 WeakPolarHBondContact CD-OE1 3.47Å; K229-E231 IonicContact NZ-OE1 3.02Å; K229-E231 PolarHBondContact NZ-OE1 3.11Å; K229-E231 IonicContact NZ-OE2 3.03Å; K229-E231 PolarHBondContact NZ-OE2 3.14Å; K229-E231 PolarHBondContact O-N 3.22Å; E231-T257 HydrophobicContact CB-CG2 4.17Å; E231-I259 HydrophobicContact CB-CD1 4.04Å; E231-I259 HydrophobicContact CB-CG1 4.36Å; E231-I259 HydrophobicContact CG-CD1 3.84Å; E231-I259 HydrophobicContact CG-CG1 4.08Å | ||
| 232 | G | 78.7 | Confident | 84.5 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 81% | 0.814 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 87.1 | 18.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 233 | R | 78.7 | Confident | 85.7 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -108.9 | 160.3 | 174.6 | -67.5 | -173.7 | 169.5 | -161.8 | -6.7 | 112 | ||
| 234 | K | 75.8 | Confident | 86.2 | Confident | 184 Ų | 184 | 57 Ų | 57 | 80% | 0.8 | 31% | 0.308 | S | S | * | . | trans | -55.5 | 141.9 | 171.9 | -64.5 | -175.6 | 179.6 | -177.3 | 0 | 109.5 | N236 S237 | K234-N236 PolarHBondContact O-N 2.94Å; K234-N236 VanDerWaalsContact O-N 3.08Å; K234-S237 PolarHBondContact O-N 3.14Å | ||
| 235 | A | 69.2 | Low | 86.4 | Confident | 85 Ų | 85 | 58 Ų | 58 | 70% | 0.702 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -38.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | S237 V238 | A235-S237 PolarHBondContact O-N 3.03Å; A235-S237 VanDerWaalsContact O-N 3.15Å; A235-V238 WeakPolarHBondContact O-CG2 3.46Å |
| 236 | N | 75.1 | Confident | 86.4 | Confident | 169 Ų | 169 | 62.9 Ų | 62.9 | 90% | 0.904 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 7 | -179.2 | -52.4 | 4.5 | 0 | 0 | 0 | 113.7 | K234 | K234-N236 PolarHBondContact O-N 2.94Å; K234-N236 VanDerWaalsContact O-N 3.08Å |
| 237 | S | 81.5 | Confident | 86.4 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 33% | 0.329 | 36% | 0.359 | S | S | . | . | trans | -133 | 51.6 | -178.9 | -164.2 | 0 | 0 | 0 | 0 | 111.2 | K234 A235 R239 | K234-S237 PolarHBondContact O-N 3.14Å; A235-S237 PolarHBondContact O-N 3.03Å; A235-S237 VanDerWaalsContact O-N 3.15Å; S237-R239 PolarHBondContact O-N 3.32Å | ||
| 238 | V | 84.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | trans | -60 | 121.6 | 169.9 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | K229 A235 Y240 | K229-V238 HydrophobicContact CG-CG1 4.37Å; A235-V238 WeakPolarHBondContact O-CG2 3.46Å; V238-Y240 HydrophobicContact CG1-CE2 3.79Å | ||
| 239 | R | 88.7 | Confident | 86.4 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 26% | 0.26 | 36% | 0.363 | S | S | . | . | trans | -135.2 | 164.8 | 173 | -65.2 | -136.9 | -162 | 148.1 | 0.1 | 109.6 | A230 S237 P276 L277 G279 | A230-R239 VanDerWaalsContact CB-O 3.27Å; A230-R239 WeakPolarHBondContact CB-O 3.42Å; A230-R239 PolarHBondContact N-O 2.97Å; S237-R239 PolarHBondContact O-N 3.32Å; R239-P276 CarbonylContact C-O 3.51Å; R239-P276 VanDerWaalsContact CA-O 3.26Å; R239-P276 WeakPolarHBondContact CA-O 3.44Å; R239-P276 WeakPolarHBondContact CB-O 3.44Å; R239-L277 WeakPolarHBondContact CD-O 3.35Å; R239-G279 PolarHBondContact NH1-O 3.22Å | ||
| 240 | Y | 90.9 | Very high | 86.5 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.6 | -174.5 | -64.3 | -92.4 | 0 | 0 | 0 | 112.3 | F227 M228 K229 V238 H265 Y275 P276 L277 K278 | F227-Y240 HydrophobicContact CB-CD1 4.04Å; F227-Y240 HydrophobicContact CB-CG 4.31Å; M228-Y240 WeakPolarHBondContact O-CA 3.38Å; K229-Y240 HydrophobicContact CB-CD1 4.3Å; K229-Y240 HydrophobicContact CB-CE1 4.09Å; V238-Y240 HydrophobicContact CG1-CE2 3.79Å; Y240-H265 AromaticContact CE1-CD2 3.86Å; Y240-H265 AromaticContact CE1-NE2 4Å; Y240-Y275 AromaticContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CE1 4.1Å; Y240-Y275 AromaticContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CG 4.29Å; Y240-Y275 AromaticContact CE1-CD1 3.66Å; Y240-Y275 HydrophobicContact CE1-CD1 3.66Å; Y240-Y275 AromaticContact CE1-CE1 3.66Å; Y240-Y275 HydrophobicContact CE1-CE1 3.66Å; Y240-Y275 AromaticContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CE1 4.12Å; Y240-Y275 HydrophobicContact CE2-CG 4.4Å; Y240-Y275 AromaticContact CG-CD1 3.69Å; Y240-Y275 HydrophobicContact CG-CD1 3.69Å; Y240-Y275 AromaticContact CZ-CD1 3.66Å; Y240-Y275 AromaticContact CZ-CE1 3.67Å; Y240-P276 PolarHBondContact N-O 3.49Å; Y240-L277 CarbonylContact O-C 3.57Å; Y240-L277 WeakPolarHBondContact O-CA 3.43Å; Y240-K278 PolarHBondContact O-N 2.62Å |
| 241 | H | 90.2 | Very high | 86.6 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124 | 161.7 | -58.2 | 101 | 0 | 0 | 0 | 107.4 | F227 M228 A230 L243 K256 | F227-H241 CarbonylContact C-O 3.52Å; F227-H241 WeakPolarHBondContact CA-O 3.27Å; M228-H241 PolarHBondContact N-O 2.87Å; M228-H241 PolarHBondContact O-N 3.06Å; A230-H241 VanDerWaalsContact CB-CE1 3.48Å; A230-H241 WeakPolarHBondContact CB-CE1 3.23Å; H241-L243 HydrophobicContact CB-CD2 4.37Å; H241-K256 HydrophobicContact CB-CD 4.05Å |
| 242 | E | 92.6 | Very high | 86.8 | Confident | 78 Ų | 78 | 69.8 Ų | 69.8 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 136.5 | 161.4 | -164.7 | 165.8 | 146.5 | 0 | 0 | 108.4 | K225 F227 L277 | K225-E242 WeakPolarHBondContact CE-OE1 3.46Å; K225-E242 VanDerWaalsContact NZ-CD 3.31Å; K225-E242 IonicContact NZ-OE1 3.26Å; K225-E242 PolarHBondContact NZ-OE1 3.3Å; K225-E242 IonicContact NZ-OE2 2.56Å; K225-E242 PolarHBondContact NZ-OE2 2.89Å; F227-E242 HydrophobicContact CD1-CB 4.25Å; F227-E242 HydrophobicContact CD1-CG 4.41Å; F227-E242 HydrophobicContact CE1-CB 4.08Å; F227-E242 HydrophobicContact CE1-CG 3.95Å; E242-L277 HydrophobicContact CB-CD2 3.91Å |
| 243 | L | 91.2 | Very high | 87.5 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.6 | 172.3 | -52.9 | -166.3 | 0 | 0 | 0 | 108.8 | L192 V226 M228 H241 N252 K256 L264 | L192-L243 HydrophobicContact CD1-CB 3.53Å; L192-L243 HydrophobicContact CD1-CD1 3.88Å; L192-L243 HydrophobicContact CD1-CG 4.38Å; V226-L243 HydrophobicContact CB-CB 4.12Å; V226-L243 HydrophobicContact CG1-CB 4.16Å; V226-L243 HydrophobicContact CG1-CD1 3.96Å; V226-L243 HydrophobicContact CG1-CG 4.26Å; V226-L243 PolarHBondContact O-N 3.44Å; M228-L243 HydrophobicContact CB-CD1 4.19Å; M228-L243 HydrophobicContact CB-CD2 4.19Å; M228-L243 HydrophobicContact CB-CG 4.28Å; H241-L243 HydrophobicContact CB-CD2 4.37Å; L243-N252 WeakPolarHBondContact CA-OD1 3.29Å; L243-N252 WeakPolarHBondContact CB-OD1 3.43Å; L243-N252 HydrophobicContact CD2-CB 4.46Å; L243-K256 HydrophobicContact CD2-CD 4.25Å; L243-L264 HydrophobicContact CD1-CD2 3.56Å |
| 244 | D | 89.9 | Confident | 88.2 | Confident | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | trans | -86.7 | 122.2 | -179 | -176 | -22 | 0 | 0 | 0 | 109.4 | E246 K247 N252 | D244-E246 VanDerWaalsContact C-N 3.28Å; D244-E246 PolarHBondContact O-N 2.9Å; D244-E246 PolarHBondContact OD1-N 3.21Å; D244-E246 VanDerWaalsContact OD1-N 3.1Å; D244-K247 HydrophobicContact CB-CB 4.21Å; D244-K247 HydrophobicContact CB-CD 4.1Å; D244-K247 HydrophobicContact CB-CG 4.11Å; D244-K247 PolarHBondContact O-N 2.9Å; D244-K247 IonicContact OD2-NZ 3.52Å; D244-K247 PolarHBondContact OD2-NZ 3.08Å; D244-N252 PolarHBondContact N-OD1 3.38Å; D244-N252 PolarHBondContact O-ND2 2.97Å | ||
| 245 | V | 89 | Confident | 89 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -69.4 | -28.1 | -171 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | L192 I193 V226 | L192-V245 HydrophobicContact CB-CG1 4.5Å; L192-V245 PolarHBondContact N-O 3Å; I193-V245 HydrophobicContact CB-CG1 3.78Å; I193-V245 HydrophobicContact CD1-CG1 4.24Å; I193-V245 HydrophobicContact CG1-CG1 3.77Å; I193-V245 PolarHBondContact N-O 3.43Å; V226-V245 HydrophobicContact CG2-CG2 4.24Å |
| 246 | E | 89 | Confident | 90.1 | Very high | 158 Ų | 158 | 59.9 Ų | 59.9 | 74% | 0.738 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -80.6 | -27.5 | -178.5 | -61.5 | -178.9 | 178.1 | 0 | 0 | 112.6 | T191 D244 | T191-E246 VanDerWaalsContact CG2-O 3.28Å; T191-E246 WeakPolarHBondContact CG2-O 3.46Å; D244-E246 VanDerWaalsContact C-N 3.28Å; D244-E246 PolarHBondContact O-N 2.9Å; D244-E246 PolarHBondContact OD1-N 3.21Å; D244-E246 VanDerWaalsContact OD1-N 3.1Å |
| 247 | K | 92.6 | Very high | 91 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -76.5 | 156.6 | -178.1 | -71.5 | -172.7 | 175.3 | 77.1 | 0 | 112.6 | T191 L192 D244 D251 N252 | T191-K247 WeakPolarHBondContact CA-O 3.39Å; L192-K247 PolarHBondContact N-O 3.13Å; D244-K247 HydrophobicContact CB-CB 4.21Å; D244-K247 HydrophobicContact CB-CD 4.1Å; D244-K247 HydrophobicContact CB-CG 4.11Å; D244-K247 PolarHBondContact O-N 2.9Å; D244-K247 IonicContact OD2-NZ 3.52Å; D244-K247 PolarHBondContact OD2-NZ 3.08Å; K247-D251 HydrophobicContact CB-CB 4.46Å; K247-N252 WeakPolarHBondContact CB-ND2 3.47Å; K247-N252 PolarHBondContact O-ND2 3.5Å |
| 248 | S | 94.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -59.9 | 155.3 | 173 | 77.7 | 0 | 0 | 0 | 0 | 111.4 | R250 D251 N252 | S248-R250 PolarHBondContact O-N 3.4Å; S248-R250 PolarHBondContact OG-N 3.26Å; S248-D251 PolarHBondContact O-N 2.79Å; S248-D251 PolarHBondContact OG-N 2.91Å; S248-D251 PolarHBondContact OG-OD2 3Å; S248-N252 WeakPolarHBondContact O-CB 3.24Å; S248-N252 PolarHBondContact O-N 2.95Å; S248-N252 PolarHBondContact O-ND2 2.85Å |
| 249 | L | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 172.2 | 179.5 | 64.4 | 0 | 0 | 0 | 110.7 | W168 L170 V186 Q190 L192 I195 N252 L253 | W168-L249 HydrophobicContact CB-CD2 4.36Å; W168-L249 HydrophobicContact CG-CD2 4.19Å; L170-L249 HydrophobicContact CD1-CD2 3.95Å; L170-L249 HydrophobicContact CD2-CD1 4.43Å; L170-L249 HydrophobicContact CD2-CD2 4.23Å; V186-L249 HydrophobicContact CG1-CD2 4.23Å; Q190-L249 PolarHBondContact O-N 3.36Å; L192-L249 HydrophobicContact CD2-CD1 3.96Å; I195-L249 HydrophobicContact CD1-CB 4.25Å; I195-L249 HydrophobicContact CD1-CD2 4.13Å; L249-N252 PolarHBondContact O-N 3.43Å; L249-L253 HydrophobicContact CD1-CD1 3.84Å; L249-L253 HydrophobicContact CD1-CG 4.01Å; L249-L253 HydrophobicContact CG-CD1 3.88Å; L249-L253 HydrophobicContact CG-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 VanDerWaalsContact O-CG 3.23Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.17Å |
| 250 | R | 91.8 | Very high | 92.3 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -53.6 | 174.7 | 178.7 | -179.8 | -66.5 | -177 | 0.7 | 112.5 | K164 D188 S248 N252 L253 S254 | K164-R250 PolarHBondContact O-NH2 2.61Å; D188-R250 HydrophobicContact CB-CB 4.07Å; D188-R250 VanDerWaalsContact O-CB 3.29Å; D188-R250 WeakPolarHBondContact O-CB 3.28Å; D188-R250 PolarHBondContact O-N 2.92Å; D188-R250 IonicContact OD1-CZ 2.87Å; D188-R250 IonicContact OD1-NE 3.86Å; D188-R250 IonicContact OD1-NH2 3.71Å; D188-R250 PolarHBondContact OD1-NH2 3.23Å; D188-R250 IonicContact OD2-CZ 2.88Å; D188-R250 VanDerWaalsContact OD2-CZ 3.29Å; D188-R250 IonicContact OD2-NE 3.68Å; D188-R250 PolarHBondContact OD2-NE 3.45Å; D188-R250 IonicContact OD2-NH2 2.84Å; D188-R250 PolarHBondContact OD2-NH2 2.76Å; S248-R250 PolarHBondContact O-N 3.4Å; S248-R250 PolarHBondContact OG-N 3.26Å; R250-N252 VanDerWaalsContact C-N 3.28Å; R250-N252 PolarHBondContact O-N 3.44Å; R250-L253 PolarHBondContact O-N 3.23Å; R250-L253 VanDerWaalsContact O-N 3.15Å; R250-S254 PolarHBondContact O-N 3.46Å |
| 251 | D | 92.8 | Very high | 92.4 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.4 | -39 | -178.1 | -58.9 | -44.7 | 0 | 0 | 0 | 110.6 | K247 S248 L253 S254 | K247-D251 HydrophobicContact CB-CB 4.46Å; S248-D251 PolarHBondContact O-N 2.79Å; S248-D251 PolarHBondContact OG-N 2.91Å; S248-D251 PolarHBondContact OG-OD2 3Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 2.84Å; D251-S254 WeakPolarHBondContact O-CB 3.4Å; D251-S254 PolarHBondContact O-N 3.03Å; D251-S254 PolarHBondContact O-OG 3.35Å |
| 252 | N | 93.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -33 | 174.4 | -89.4 | -64.2 | 0 | 0 | 0 | 114 | L192 L243 D244 K247 S248 L249 R250 K256 | L192-N252 HydrophobicContact CD1-CB 4.36Å; L243-N252 WeakPolarHBondContact CA-OD1 3.29Å; L243-N252 WeakPolarHBondContact CB-OD1 3.43Å; L243-N252 HydrophobicContact CD2-CB 4.46Å; D244-N252 PolarHBondContact N-OD1 3.38Å; D244-N252 PolarHBondContact O-ND2 2.97Å; K247-N252 WeakPolarHBondContact CB-ND2 3.47Å; K247-N252 PolarHBondContact O-ND2 3.5Å; S248-N252 WeakPolarHBondContact O-CB 3.24Å; S248-N252 PolarHBondContact O-N 2.95Å; S248-N252 PolarHBondContact O-ND2 2.85Å; L249-N252 PolarHBondContact O-N 3.43Å; R250-N252 VanDerWaalsContact C-N 3.28Å; R250-N252 PolarHBondContact O-N 3.44Å; N252-K256 WeakPolarHBondContact O-CD 3.26Å; N252-K256 WeakPolarHBondContact O-CE 3.31Å; N252-K256 PolarHBondContact O-NZ 2.78Å |
| 253 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -87.7 | -16.3 | 178.3 | -66.4 | 179.6 | 0 | 0 | 0 | 113.1 | I140 W168 M228 L249 R250 D251 K256 I258 P262 | I140-L253 HydrophobicContact CD1-CB 3.94Å; I140-L253 HydrophobicContact CG1-CB 4.41Å; W168-L253 HydrophobicContact CD2-CD1 4.2Å; W168-L253 HydrophobicContact CZ2-CD1 4.06Å; M228-L253 HydrophobicContact CE-CD2 4.26Å; M228-L253 HydrophobicContact SD-CD2 3.74Å; L249-L253 HydrophobicContact CD1-CD1 3.84Å; L249-L253 HydrophobicContact CD1-CG 4.01Å; L249-L253 HydrophobicContact CG-CD1 3.88Å; L249-L253 HydrophobicContact CG-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 VanDerWaalsContact O-CG 3.23Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.17Å; R250-L253 PolarHBondContact O-N 3.23Å; R250-L253 VanDerWaalsContact O-N 3.15Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 2.84Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 2.97Å; L253-I258 HydrophobicContact CB-CD1 4.14Å; L253-I258 HydrophobicContact CD1-CD1 4.07Å; L253-I258 HydrophobicContact CD2-CD1 3.88Å; L253-I258 HydrophobicContact CG-CD1 4.23Å; L253-P262 HydrophobicContact CD1-CG 3.71Å; L253-P262 HydrophobicContact CD2-CB 4.1Å; L253-P262 HydrophobicContact CD2-CG 4.01Å |
| 254 | S | 93.1 | Very high | 92.9 | Very high | 27 Ų | 27 | 43 Ų | 43 | 19% | 0.189 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 141.6 | 176.6 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | R250 D251 K256 | R250-S254 PolarHBondContact O-N 3.46Å; D251-S254 WeakPolarHBondContact O-CB 3.4Å; D251-S254 PolarHBondContact O-N 3.03Å; D251-S254 PolarHBondContact O-OG 3.35Å; S254-K256 PolarHBondContact O-N 2.95Å |
| 255 | Y | 92.1 | Very high | 93 | Very high | 170 Ų | 170 | 41.5 Ų | 41.5 | 67% | 0.667 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 14.1 | -177.2 | -50.8 | -79.2 | 0 | 0 | 0 | 115.7 | N139 | N139-Y255 HydrophobicContact CB-CD1 3.84Å; N139-Y255 HydrophobicContact CB-CE1 3.64Å; N139-Y255 HydrophobicContact CB-CE2 4.42Å; N139-Y255 HydrophobicContact CB-CG 4.33Å; N139-Y255 PolarHBondContact ND2-OH 3.35Å; N139-Y255 VanDerWaalsContact O-CA 3.26Å; N139-Y255 WeakPolarHBondContact O-CA 3.35Å; N139-Y255 PolarHBondContact O-N 3.36Å |
| 256 | K | 93.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | trans | -108.7 | 157.4 | 177.2 | -61.7 | 174.2 | -161.9 | 169.2 | 0 | 111.2 | T141 M228 H241 L243 N252 L253 S254 | T141-K256 PolarHBondContact N-O 2.83Å; M228-K256 HydrophobicContact CE-CB 3.64Å; M228-K256 HydrophobicContact CE-CD 3.7Å; M228-K256 HydrophobicContact CE-CG 4.18Å; H241-K256 HydrophobicContact CB-CD 4.05Å; L243-K256 HydrophobicContact CD2-CD 4.25Å; N252-K256 WeakPolarHBondContact O-CD 3.26Å; N252-K256 WeakPolarHBondContact O-CE 3.31Å; N252-K256 PolarHBondContact O-NZ 2.78Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 2.97Å; S254-K256 PolarHBondContact O-N 2.95Å | ||
| 257 | T | 93.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.2 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | T141 E231 | T141-T257 HydrophobicContact CG2-CG2 4.13Å; T141-T257 WeakPolarHBondContact O-CA 3.2Å; E231-T257 HydrophobicContact CB-CG2 4.17Å |
| 258 | I | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.7 | -176.4 | -57.2 | 165.3 | 0 | 0 | 0 | 108.1 | I140 T141 L142 R143 W168 L253 P262 | I140-I258 HydrophobicContact CG2-CD1 3.51Å; I140-I258 HydrophobicContact CG2-CG1 4.36Å; T141-I258 PolarHBondContact O-N 3.22Å; L142-I258 HydrophobicContact CD1-CB 4.09Å; L142-I258 HydrophobicContact CD1-CG2 3.99Å; R143-I258 PolarHBondContact N-O 3.11Å; W168-I258 HydrophobicContact CH2-CD1 4.11Å; W168-I258 HydrophobicContact CZ3-CD1 4.43Å; L253-I258 HydrophobicContact CB-CD1 4.14Å; L253-I258 HydrophobicContact CD1-CD1 4.07Å; L253-I258 HydrophobicContact CD2-CD1 3.88Å; L253-I258 HydrophobicContact CG-CD1 4.23Å; I258-P262 HydrophobicContact CD1-CG 4.24Å; I258-P262 HydrophobicContact CG2-CG 4.25Å |
| 259 | I | 93.3 | Very high | 92.5 | Very high | 44 Ų | 44 | 33.6 Ų | 33.6 | 23% | 0.226 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.1 | 174.8 | -60.4 | 174.8 | 0 | 0 | 0 | 108 | R143 L145 K151 E231 Y261 | R143-I259 CarbonylContact O-C 3.6Å; R143-I259 WeakPolarHBondContact O-CA 3.36Å; L145-I259 HydrophobicContact CD1-CG2 3.92Å; L145-I259 HydrophobicContact CD2-CG2 3.81Å; L145-I259 HydrophobicContact CG-CG2 3.63Å; K151-I259 WeakPolarHBondContact CE-O 3.38Å; K151-I259 PolarHBondContact NZ-O 3.28Å; E231-I259 HydrophobicContact CB-CD1 4.04Å; E231-I259 HydrophobicContact CB-CG1 4.36Å; E231-I259 HydrophobicContact CG-CD1 3.84Å; E231-I259 HydrophobicContact CG-CG1 4.08Å; I259-Y261 PolarHBondContact O-N 2.89Å |
| 260 | E | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 60.3 | -69.4 | -170.5 | -68.2 | -68 | 171.9 | 0 | 0 | 114.3 | R143 F144 L145 K151 S152 N155 | R143-E260 PolarHBondContact O-N 3.41Å; F144-E260 VanDerWaalsContact CD1-OE2 3.25Å; F144-E260 WeakPolarHBondContact CD1-OE2 3.47Å; L145-E260 WeakPolarHBondContact CA-OE1 3.12Å; L145-E260 HydrophobicContact CB-CG 4.11Å; L145-E260 WeakPolarHBondContact CB-OE1 3.34Å; L145-E260 HydrophobicContact CD1-CG 3.96Å; L145-E260 HydrophobicContact CG-CG 3.98Å; L145-E260 PolarHBondContact N-OE1 3.07Å; K151-E260 HydrophobicContact CB-CG 4.46Å; K151-E260 HydrophobicContact CD-CB 4Å; K151-E260 HydrophobicContact CD-CG 4.27Å; K151-E260 HydrophobicContact CG-CB 4.01Å; K151-E260 HydrophobicContact CG-CG 4.15Å; S152-E260 WeakPolarHBondContact CA-OE1 3.44Å; S152-E260 WeakPolarHBondContact CB-OE1 3.3Å; S152-E260 PolarHBondContact OG-OE1 2.97Å; N155-E260 PolarHBondContact ND2-O 3.18Å; N155-E260 PolarHBondContact ND2-OE2 3.49Å |
| 261 | Y | 94.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -150.6 | 152.3 | -175 | 60 | -112.8 | 0 | 0 | 0 | 111.1 | K151 E154 N155 H169 K171 I259 V263 | K151-Y261 HydrophobicContact CD-CE1 4.32Å; K151-Y261 VanDerWaalsContact CE-CZ 3.44Å; K151-Y261 HydrophobicContact CG-CD1 4.15Å; K151-Y261 HydrophobicContact CG-CE1 3.45Å; K151-Y261 VanDerWaalsContact CG-CE1 3.45Å; K151-Y261 HydrophobicContact CG-CE2 4.38Å; K151-Y261 PolarHBondContact NZ-O 2.84Å; K151-Y261 VanDerWaalsContact NZ-O 3.07Å; K151-Y261 WeakPolarHBondContact O-CE1 3.46Å; E154-Y261 HydrophobicContact CB-CE1 4.09Å; E154-Y261 PolarHBondContact OE2-OH 3.45Å; N155-Y261 HydrophobicContact CB-CD1 4.03Å; H169-Y261 HydrophobicContact CB-CG 4.38Å; H169-Y261 AromaticContact CD2-CD1 3.69Å; H169-Y261 AromaticContact CD2-CD2 3.87Å; H169-Y261 AromaticContact CD2-CE1 3.82Å; H169-Y261 AromaticContact CD2-CG 3.72Å; H169-Y261 AromaticContact CD2-CZ 3.99Å; H169-Y261 WeakPolarHBondContact O-CB 3.35Å; K171-Y261 HydrophobicContact CB-CD2 4.33Å; K171-Y261 HydrophobicContact CB-CE2 3.67Å; K171-Y261 HydrophobicContact CD-CE2 4.44Å; I259-Y261 PolarHBondContact O-N 2.89Å; Y261-V263 HydrophobicContact CD2-CG2 4.23Å; Y261-V263 HydrophobicContact CE2-CG2 4Å |
| 262 | P | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | trans | -62.4 | 138.6 | 177.8 | -17.9 | 27.8 | 0 | 0 | 0 | 112.7 | W168 H169 L170 K171 M228 L253 I258 L264 | W168-P262 HydrophobicContact CD2-CG 4.21Å; W168-P262 VanDerWaalsContact CE3-CD 3.49Å; W168-P262 HydrophobicContact CE3-CG 3.91Å; W168-P262 HydrophobicContact CZ3-CG 4.38Å; H169-P262 WeakPolarHBondContact O-CD 3.46Å; L170-P262 HydrophobicContact CD2-CB 3.67Å; L170-P262 HydrophobicContact CD2-CG 3.63Å; K171-P262 PolarHBondContact N-O 3.38Å; K171-P262 VanDerWaalsContact N-O 3.13Å; M228-P262 HydrophobicContact SD-CB 4.35Å; L253-P262 HydrophobicContact CD1-CG 3.71Å; L253-P262 HydrophobicContact CD2-CB 4.1Å; L253-P262 HydrophobicContact CD2-CG 4.01Å; I258-P262 HydrophobicContact CD1-CG 4.24Å; I258-P262 HydrophobicContact CG2-CG 4.25Å; P262-L264 HydrophobicContact CB-CD2 4.25Å | ||
| 263 | V | 95.1 | Very high | 90.8 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.7 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | K171 I173 Y261 | K171-V263 HydrophobicContact CB-CG1 4.39Å; K171-V263 HydrophobicContact CB-CG2 4.34Å; K171-V263 HydrophobicContact CG-CG1 4.48Å; K171-V263 CarbonylContact O-C 3.6Å; K171-V263 WeakPolarHBondContact O-CA 3.48Å; I173-V263 HydrophobicContact CD1-CG1 3.47Å; I173-V263 VanDerWaalsContact CD1-CG1 3.47Å; I173-V263 HydrophobicContact CG1-CG1 4.01Å; Y261-V263 HydrophobicContact CD2-CG2 4.23Å; Y261-V263 HydrophobicContact CE2-CG2 4Å |
| 264 | L | 94.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123 | -174.1 | -50.5 | -171.9 | 0 | 0 | 0 | 109.3 | K171 L172 I173 L192 V226 M228 L243 P262 | K171-L264 PolarHBondContact O-N 3.01Å; L172-L264 WeakPolarHBondContact CA-O 3.27Å; L172-L264 HydrophobicContact CD2-CB 3.88Å; L172-L264 HydrophobicContact CD2-CD1 3.89Å; L172-L264 HydrophobicContact CD2-CG 4.19Å; I173-L264 PolarHBondContact N-O 3.31Å; L192-L264 HydrophobicContact CD2-CD1 3.81Å; V226-L264 HydrophobicContact CG1-CB 3.97Å; V226-L264 HydrophobicContact CG1-CD1 4.38Å; M228-L264 HydrophobicContact CB-CD2 4.31Å; M228-L264 HydrophobicContact CG-CD2 4.45Å; L243-L264 HydrophobicContact CD1-CD2 3.56Å; P262-L264 HydrophobicContact CB-CD2 4.25Å |
| 265 | H | 92.1 | Very high | 89.9 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.4 | 173.3 | -62.8 | -92.1 | 0 | 0 | 0 | 109.1 | I173 V226 F227 Y240 V267 Y275 | I173-H265 CarbonylContact O-C 3.59Å; I173-H265 WeakPolarHBondContact O-CA 3.42Å; V226-H265 CarbonylContact C-O 3.57Å; V226-H265 WeakPolarHBondContact CA-O 3.08Å; F227-H265 HydrophobicContact CB-CB 4.35Å; F227-H265 PolarHBondContact N-O 2.61Å; F227-H265 PolarHBondContact O-N 3.15Å; Y240-H265 AromaticContact CE1-CD2 3.86Å; Y240-H265 AromaticContact CE1-NE2 4Å; H265-V267 HydrophobicContact CB-CG2 4.12Å; H265-Y275 HydrophobicContact CB-CE1 3.83Å; H265-Y275 AromaticContact CG-CE1 3.92Å |
| 266 | V | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.9 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | I173 F174 P175 L196 I200 Y216 V224 | I173-V266 PolarHBondContact O-N 2.91Å; F174-V266 HydrophobicContact CD1-CB 3.74Å; F174-V266 HydrophobicContact CD1-CG1 3.99Å; F174-V266 HydrophobicContact CD1-CG2 4.3Å; F174-V266 HydrophobicContact CE1-CB 3.72Å; F174-V266 HydrophobicContact CE1-CG1 3.73Å; F174-V266 HydrophobicContact CE1-CG2 3.9Å; F174-V266 HydrophobicContact CG-CB 4.41Å; F174-V266 HydrophobicContact CZ-CB 4.37Å; F174-V266 HydrophobicContact CZ-CG2 4.07Å; P175-V266 VanDerWaalsContact CD-O 3.24Å; P175-V266 WeakPolarHBondContact CD-O 3.47Å; L196-V266 HydrophobicContact CD2-CG1 4.43Å; L196-V266 HydrophobicContact CD2-CG2 3.71Å; I200-V266 HydrophobicContact CD1-CG1 4.07Å; Y216-V266 HydrophobicContact CD1-CG1 4.2Å; Y216-V266 HydrophobicContact CE1-CB 4.45Å; Y216-V266 HydrophobicContact CE1-CG1 4Å; Y216-V266 VanDerWaalsContact CE1-O 3.27Å; Y216-V266 WeakPolarHBondContact CE1-O 3.31Å; Y216-V266 PolarHBondContact OH-O 2.99Å; V224-V266 HydrophobicContact CG1-CG1 3.37Å |
| 267 | V | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129 | -164.3 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | P175 K225 F227 H265 H271 W272 Y275 | P175-V267 HydrophobicContact CG-CG2 4.27Å; K225-V267 PolarHBondContact N-O 3.29Å; K225-V267 PolarHBondContact O-N 3.27Å; F227-V267 HydrophobicContact CD2-CB 3.9Å; F227-V267 HydrophobicContact CD2-CG2 3.73Å; F227-V267 HydrophobicContact CE2-CB 3.9Å; F227-V267 HydrophobicContact CE2-CG1 4.34Å; F227-V267 HydrophobicContact CE2-CG2 4.23Å; H265-V267 HydrophobicContact CB-CG2 4.12Å; V267-H271 HydrophobicContact CG1-CB 3.79Å; V267-W272 PolarHBondContact O-NE1 3.02Å; V267-Y275 HydrophobicContact CB-CE2 4.45Å; V267-Y275 HydrophobicContact CG1-CD2 4Å; V267-Y275 HydrophobicContact CG1-CE2 3.95Å; V267-Y275 HydrophobicContact CG2-CD1 4.49Å; V267-Y275 HydrophobicContact CG2-CD2 4.01Å; V267-Y275 HydrophobicContact CG2-CE1 4.14Å; V267-Y275 HydrophobicContact CG2-CE2 3.61Å; V267-Y275 HydrophobicContact CG2-CG 4.45Å |
| 268 | L | 88.3 | Confident | 87.9 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 154.7 | 176 | -63.8 | 175.2 | 0 | 0 | 0 | 111.8 | Q176 M215 Y216 H219 V224 D270 H271 W272 | Q176-L268 HydrophobicContact CB-CD1 4.41Å; Q176-L268 HydrophobicContact CG-CD1 4.28Å; Q176-L268 HydrophobicContact CG-CG 4.49Å; M215-L268 HydrophobicContact CB-CD1 4.33Å; Y216-L268 HydrophobicContact CD1-CD1 4.4Å; Y216-L268 HydrophobicContact CD1-CD2 3.61Å; Y216-L268 HydrophobicContact CD1-CG 3.86Å; Y216-L268 HydrophobicContact CE1-CD1 4.36Å; Y216-L268 HydrophobicContact CE1-CD2 3.96Å; Y216-L268 HydrophobicContact CE1-CG 3.72Å; Y216-L268 HydrophobicContact CG-CD2 4.3Å; H219-L268 HydrophobicContact CB-CD2 4.03Å; V224-L268 HydrophobicContact CG2-CD2 4.16Å; L268-D270 PolarHBondContact O-N 3.24Å; L268-H271 PolarHBondContact O-N 2.87Å; L268-W272 VanDerWaalsContact O-CD1 3.31Å |
| 269 | R | 85.8 | Confident | 86.2 | Confident | 142 Ų | 142 | 53.5 Ų | 53.5 | 54% | 0.536 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -43.1 | -41.1 | -177.6 | -173.7 | 170.8 | 174.4 | 175.1 | -2.1 | 115.6 | H223 H271 W272 | H223-R269 HydrophobicContact CB-CB 4.29Å; H223-R269 PolarHBondContact NE2-NH1 2.87Å; H223-R269 PolarHBondContact O-N 3.32Å; R269-H271 PolarHBondContact O-N 3.32Å; R269-W272 VanDerWaalsContact CA-CE2 3.46Å; R269-W272 HydrophobicContact CB-CH2 4.38Å; R269-W272 HydrophobicContact CB-CZ2 4.01Å; R269-W272 HydrophobicContact CG-CD2 4.45Å; R269-W272 HydrophobicContact CG-CE3 4.32Å; R269-W272 HydrophobicContact CG-CH2 3.98Å; R269-W272 HydrophobicContact CG-CZ2 4.11Å; R269-W272 HydrophobicContact CG-CZ3 4.09Å; R269-W272 PolarHBondContact O-N 3.24Å |
| 270 | D | 83.3 | Confident | 83.8 | Confident | 118 Ų | 118 | 57 Ų | 57 | 63% | 0.631 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -65.3 | -25.6 | -174.7 | -48.6 | -49.5 | 0 | 0 | 0 | 113.1 | L268 | L268-D270 PolarHBondContact O-N 3.24Š|
| 271 | H | 83.3 | Confident | 81.2 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -111.4 | 10.4 | -171.3 | -62.2 | 89.3 | 0 | 0 | 0 | 113.7 | Q176 V267 L268 R269 K273 D274 | Q176-H271 VanDerWaalsContact CD-CE1 3.41Å; Q176-H271 VanDerWaalsContact CD-ND1 3.33Å; Q176-H271 PolarHBondContact NE2-CD2 2.88Å; Q176-H271 VanDerWaalsContact NE2-CD2 3.28Å; Q176-H271 PolarHBondContact NE2-CE1 3.47Å; Q176-H271 PolarHBondContact NE2-ND1 3.22Å; Q176-H271 PolarHBondContact OE1-CE1 2.87Å; Q176-H271 PolarHBondContact OE1-ND1 2.86Å; Q176-H271 PolarHBondContact OE1-NE2 3.43Å; V267-H271 HydrophobicContact CG1-CB 3.79Å; L268-H271 PolarHBondContact O-N 2.87Å; R269-H271 PolarHBondContact O-N 3.32Å; H271-K273 PolarHBondContact O-N 3.24Å; H271-K273 VanDerWaalsContact O-N 3.13Å; H271-D274 IonicContact CD2-OD2 3.29Å; H271-D274 PolarHBondContact O-N 2.81Å |
| 272 | W | 86.1 | Confident | 78.4 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 28% | 0.284 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -58.9 | -25.3 | 176 | -67.6 | -8.7 | 0 | 0 | 0 | 113.1 | K225 V267 L268 R269 D274 Y275 | K225-W272 HydrophobicContact CD-CD2 3.8Å; K225-W272 HydrophobicContact CD-CE3 4.25Å; K225-W272 HydrophobicContact CD-CG 4.27Å; K225-W272 HydrophobicContact CD-CH2 4.28Å; K225-W272 HydrophobicContact CD-CZ2 3.82Å; K225-W272 HydrophobicContact CD-CZ3 4.47Å; K225-W272 HydrophobicContact CG-CD2 4.32Å; K225-W272 HydrophobicContact CG-CH2 4.45Å; K225-W272 HydrophobicContact CG-CZ2 3.64Å; V267-W272 PolarHBondContact O-NE1 3.02Å; L268-W272 VanDerWaalsContact O-CD1 3.31Å; R269-W272 VanDerWaalsContact CA-CE2 3.46Å; R269-W272 HydrophobicContact CB-CH2 4.38Å; R269-W272 HydrophobicContact CB-CZ2 4.01Å; R269-W272 HydrophobicContact CG-CD2 4.45Å; R269-W272 HydrophobicContact CG-CE3 4.32Å; R269-W272 HydrophobicContact CG-CH2 3.98Å; R269-W272 HydrophobicContact CG-CZ2 4.11Å; R269-W272 HydrophobicContact CG-CZ3 4.09Å; R269-W272 PolarHBondContact O-N 3.24Å; W272-D274 VanDerWaalsContact C-N 3.28Å; W272-D274 PolarHBondContact O-N 3.49Å; W272-Y275 PolarHBondContact O-N 2.91Å |
| 273 | K | 82.6 | Confident | 75.6 | Confident | 193 Ų | 193 | 73.8 Ų | 73.8 | 84% | 0.839 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -67.5 | -26.5 | 179.7 | -64.7 | 178.7 | -177.9 | 174 | 0 | 113.3 | H271 Y275 | H271-K273 PolarHBondContact O-N 3.24Å; H271-K273 VanDerWaalsContact O-N 3.13Å; K273-Y275 PolarHBondContact O-N 3.24Å |
| 274 | D | 84.1 | Confident | 72.7 | Confident | 104 Ų | 104 | 79 Ų | 79 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -78.2 | -7.1 | -178.2 | -53.9 | -36.9 | 0 | 0 | 0 | 112.7 | H271 W272 P276 | H271-D274 IonicContact CD2-OD2 3.29Å; H271-D274 PolarHBondContact O-N 2.81Å; W272-D274 VanDerWaalsContact C-N 3.28Å; W272-D274 PolarHBondContact O-N 3.49Å; D274-P276 VanDerWaalsContact C-CD 3.42Å; D274-P276 WeakPolarHBondContact O-CD 3.15Å |
| 275 | Y | 84.3 | Confident | 70.1 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 11% | 0.106 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -113.8 | 72.8 | -175.7 | -73.3 | -95 | 0 | 0 | 0 | 111.1 | P175 F227 Y240 H265 V267 W272 K273 L277 | P175-Y275 VanDerWaalsContact CG-OH 3.26Å; P175-Y275 WeakPolarHBondContact CG-OH 3.23Å; F227-Y275 HydrophobicContact CB-CD1 3.81Å; F227-Y275 HydrophobicContact CB-CE1 4.45Å; F227-Y275 HydrophobicContact CB-CG 4.47Å; F227-Y275 AromaticContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD2 4.35Å; F227-Y275 AromaticContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CE2-CG 4.15Å; F227-Y275 AromaticContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CG 4.12Å; Y240-Y275 AromaticContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CE1 4.1Å; Y240-Y275 AromaticContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CG 4.29Å; Y240-Y275 AromaticContact CE1-CD1 3.66Å; Y240-Y275 HydrophobicContact CE1-CD1 3.66Å; Y240-Y275 AromaticContact CE1-CE1 3.66Å; Y240-Y275 HydrophobicContact CE1-CE1 3.66Å; Y240-Y275 AromaticContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CE1 4.12Å; Y240-Y275 HydrophobicContact CE2-CG 4.4Å; Y240-Y275 AromaticContact CG-CD1 3.69Å; Y240-Y275 HydrophobicContact CG-CD1 3.69Å; Y240-Y275 AromaticContact CZ-CD1 3.66Å; Y240-Y275 AromaticContact CZ-CE1 3.67Å; H265-Y275 HydrophobicContact CB-CE1 3.83Å; H265-Y275 AromaticContact CG-CE1 3.92Å; V267-Y275 HydrophobicContact CB-CE2 4.45Å; V267-Y275 HydrophobicContact CG1-CD2 4Å; V267-Y275 HydrophobicContact CG1-CE2 3.95Å; V267-Y275 HydrophobicContact CG2-CD1 4.49Å; V267-Y275 HydrophobicContact CG2-CD2 4.01Å; V267-Y275 HydrophobicContact CG2-CE1 4.14Å; V267-Y275 HydrophobicContact CG2-CE2 3.61Å; V267-Y275 HydrophobicContact CG2-CG 4.45Å; W272-Y275 PolarHBondContact O-N 2.91Å; K273-Y275 PolarHBondContact O-N 3.24Å; Y275-L277 PolarHBondContact O-N 2.91Å; Y275-L277 VanDerWaalsContact O-N 3.14Å |
| 276 | P | 83.6 | Confident | 67.2 | Low | 62 Ų | 62 | 86.8 Ų | 86.8 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | trans | -62.4 | 119.2 | -175.9 | 25.2 | -34.7 | 0 | 0 | 0 | 111.3 | R239 Y240 D274 | R239-P276 CarbonylContact C-O 3.51Å; R239-P276 VanDerWaalsContact CA-O 3.26Å; R239-P276 WeakPolarHBondContact CA-O 3.44Å; R239-P276 WeakPolarHBondContact CB-O 3.44Å; Y240-P276 PolarHBondContact N-O 3.49Å; D274-P276 VanDerWaalsContact C-CD 3.42Å; D274-P276 WeakPolarHBondContact O-CD 3.15Å | ||
| 277 | L | 82.8 | Confident | 64.5 | Low | 83 Ų | 83 | 98 Ų | 98 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 160.8 | -177.4 | -63.4 | -175 | 0 | 0 | 0 | 112.9 | F227 R239 Y240 E242 Y275 G279 | F227-L277 HydrophobicContact CD1-CD2 4.16Å; F227-L277 HydrophobicContact CE1-CD2 3.8Å; R239-L277 WeakPolarHBondContact CD-O 3.35Å; Y240-L277 CarbonylContact O-C 3.57Å; Y240-L277 WeakPolarHBondContact O-CA 3.43Å; E242-L277 HydrophobicContact CB-CD2 3.91Å; Y275-L277 PolarHBondContact O-N 2.91Å; Y275-L277 VanDerWaalsContact O-N 3.14Å; L277-G279 PolarHBondContact O-N 3.33Å |
| 278 | K | 70.8 | Confident | 61.8 | Low | 117 Ų | 117 | 104.1 Ų | 104.1 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | trans | -66.7 | 60 | 169 | -164.6 | -160.6 | -173 | 172.6 | 0 | 112.5 | Y240 | Y240-K278 PolarHBondContact O-N 2.62Š| ||
| 279 | G | 57.9 | Low | 59.3 | Low | 29 Ų | 29 | 109.4 Ų | 109.4 | 30% | 0.299 | 60% | 0.6 | S | S | . | * | trans | -58.9 | 166.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R239 L277 | R239-G279 PolarHBondContact NH1-O 3.22Å; L277-G279 PolarHBondContact O-N 3.33Å | ||
| 280 | P | 44.2 | Very low | 56.9 | Low | 117 Ų | 117 | 107.5 Ų | 107.5 | 76% | 0.76 | 61% | 0.609 | S | S | * | * | trans | -47.8 | 148.6 | 177.5 | -27 | 35 | 0 | 0 | 0 | 112 | E282 | P280-E282 PolarHBondContact O-N 2.69Å; P280-E282 VanDerWaalsContact O-N 3.08Å | ||
| 281 | A | 37.4 | Very low | 54.5 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 70% | 0.702 | 62% | 0.616 | S | S | * | * | trans | -73.1 | 99.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | P283 | A281-P283 VanDerWaalsContact O-CD 3.23Å; A281-P283 WeakPolarHBondContact O-CD 3.35Å | ||
| 282 | E | 35.8 | Very low | 52 | Low | 167 Ų | 167 | 110.1 Ų | 110.1 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | trans | -47.4 | 112.6 | 153.5 | -82.2 | -72.7 | 130.1 | 0 | 0 | 106.7 | P280 V284 | P280-E282 PolarHBondContact O-N 2.69Å; P280-E282 VanDerWaalsContact O-N 3.08Å; E282-V284 PolarHBondContact O-N 2.73Å; E282-V284 VanDerWaalsContact O-N 3.09Å | ||
| 283 | P | 36 | Very low | 49.6 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -66.1 | 116 | 176.4 | 27.2 | -30.9 | 0 | 0 | 0 | 106.5 | A281 S285 | A281-P283 VanDerWaalsContact O-CD 3.23Å; A281-P283 WeakPolarHBondContact O-CD 3.35Å; P283-S285 PolarHBondContact O-N 2.77Å | ||
| 284 | V | 34 | Very low | 47.2 | Very low | 141 Ų | 141 | 114.1 Ų | 114.1 | 86% | 0.855 | 67% | 0.67 | S | S | * | * | trans | -54.5 | 112.3 | 176.5 | 176.3 | 0 | 0 | 0 | 0 | 107.3 | E282 A286 | E282-V284 PolarHBondContact O-N 2.73Å; E282-V284 VanDerWaalsContact O-N 3.09Å; V284-A286 PolarHBondContact O-N 2.86Å | ||
| 285 | S | 38.8 | Very low | 44.7 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | trans | -48.5 | 116.7 | 179 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | P283 R287 | P283-S285 PolarHBondContact O-N 2.77Å; S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 2.86Å | ||
| 286 | A | 32.2 | Very low | 42.4 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | -66.8 | 91.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108 | V284 T288 | V284-A286 PolarHBondContact O-N 2.86Å; A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 2.62Å | ||
| 287 | R | 34.1 | Very low | 39.8 | Very low | 235 Ų | 235 | 121.3 Ų | 121.3 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -64.9 | 98.4 | 162.8 | -78 | -170.9 | 169.5 | -162 | -4.1 | 106.9 | S285 S289 | S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 2.86Å; R287-S289 PolarHBondContact O-N 2.84Å | ||
| 288 | T | 33.5 | Very low | 37.2 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -54 | 101.9 | 170.1 | -6.4 | 0 | 0 | 0 | 0 | 108.2 | A286 S290 | A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 2.62Å; T288-S290 PolarHBondContact O-N 3.08Å | ||
| 289 | S | 34.8 | Very low | 35.3 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -72 | 84.9 | 166.3 | 55.1 | 0 | 0 | 0 | 0 | 107.5 | R287 A291 | R287-S289 PolarHBondContact O-N 2.84Å; S289-A291 PolarHBondContact O-N 3.08Å; S289-A291 VanDerWaalsContact O-N 3.12Å | ||
| 290 | S | 36.4 | Very low | 33.8 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -53.8 | 115.9 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | T288 T292 | T288-S290 PolarHBondContact O-N 3.08Å; S290-T292 PolarHBondContact O-N 3.39Å; S290-T292 VanDerWaalsContact O-N 3.13Å | ||
| 291 | A | 32.1 | Very low | 33.1 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -69.1 | 110 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S289 R293 | S289-A291 PolarHBondContact O-N 3.08Å; S289-A291 VanDerWaalsContact O-N 3.12Å; A291-R293 PolarHBondContact O-N 2.74Å; A291-R293 VanDerWaalsContact O-N 3.12Å | ||
| 292 | T | 31.1 | Very low | 32.7 | Very low | 136 Ų | 136 | 136 Ų | 136 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 111 | 171.7 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | S290 | S290-T292 PolarHBondContact O-N 3.39Å; S290-T292 VanDerWaalsContact O-N 3.13Å | ||
| 293 | R | 35.5 | Very low | 32.2 | Very low | 227 Ų | 227 | 136.3 Ų | 136.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 128.1 | 164.9 | -89.4 | -179.8 | -79.7 | -171.8 | -4.3 | 108.7 | A291 | A291-R293 PolarHBondContact O-N 2.74Å; A291-R293 VanDerWaalsContact O-N 3.12Å | ||
| 294 | C | 32.3 | Very low | 31.8 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 125.1 | 169.2 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 295 | V | 31.9 | Very low | 31.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -139.5 | 129.8 | 159.1 | -180 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 296 | S | 34.7 | Very low | 30.7 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -81.3 | 148.5 | 177.8 | -46 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 297 | G | 29.1 | Very low | 30.4 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -169.4 | 147.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | D | 29.9 | Very low | 30.1 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | -118.9 | 145.7 | -160 | -166 | 17.9 | 0 | 0 | 0 | 113 | ||||
| 299 | Q | 29.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 48.1 | 160.3 | 156.1 | -85.4 | 166.9 | 91.7 | 0 | 0 | 125.5 | ||||
| 300 | T | 27.5 | Very low | 29.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 79.4 | 101 | 159.8 | 40.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 301 | E | 28.5 | Very low | 28.9 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | 59.1 | 131.6 | 113.7 | -71.8 | 172.2 | -178.7 | 0 | 0 | 124.6 | |||||
| 302 | E | 28.4 | Very low | 29.2 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 63.8 | 150.8 | 145.9 | -61.2 | 179.9 | 171.9 | 0 | 0 | 118.8 | ||||
| 303 | E | 26.8 | Very low | 29.1 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -137.4 | 147.1 | 3.7 | -73.3 | -168.3 | 127.4 | 0 | 0 | 108.5 | ||||
| 304 | E | 26.2 | Very low | 28.8 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | 65.6 | 149.3 | 85.9 | -91.6 | -71.9 | -174.2 | 0 | 0 | 119.6 | |||||
| 305 | E | 25.3 | Very low | 28.5 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | 72.9 | 139.5 | 169.4 | -63.4 | -139.2 | 140.5 | 0 | 0 | 124.8 | ||||
| 306 | G | 25 | Very low | 28.3 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 116 | 66.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 307 | S | 25.6 | Very low | 27.8 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | 66.6 | 137.5 | 76.2 | -68.7 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 308 | Q | 27.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 80.4 | 141.5 | 170.2 | -53.6 | 167.2 | 18 | 0 | 0 | 115.9 | ||||
| 309 | D | 25.3 | Very low | 27.6 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | cis | -149.7 | 173.4 | 6.7 | -154 | -3 | 0 | 0 | 0 | 113.6 | ||||
| 310 | L | 27.5 | Very low | 27.6 | Very low | 137 Ų | 137 | 141 Ų | 141 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -73.9 | 139.3 | -176.1 | -69.7 | 160 | 0 | 0 | 0 | 113.4 | ||||
| 311 | Q | 28.1 | Very low | 27.6 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 50.4 | 166.2 | 98.3 | -64.9 | -161.2 | 9 | 0 | 0 | 117.5 | |||||
| 312 | P | 37.4 | Very low | 27.5 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -131.6 | 172.8 | -16.6 | 35.6 | -19.2 | 0 | 0 | 0 | 114.1 | ||||
| 313 | I | 29.9 | Very low | 27.5 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -135.8 | 138.7 | 139.4 | -65.6 | -170.6 | 0 | 0 | 0 | 109.6 | ||||
| 314 | Q | 27.8 | Very low | 27.6 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -87.2 | 157.8 | -170.7 | -63.5 | 161.8 | -43.9 | 0 | 0 | 113.9 | ||||
| 315 | G | 27.4 | Very low | 27.6 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -170.7 | 83.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 316 | S | 27 | Very low | 27.7 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -66.7 | 157.2 | 177.4 | 72 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 317 | C | 23.7 | Very low | 27.7 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | -170.8 | 111.8 | 77.4 | -171.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 318 | V | 26.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | 51.5 | 114.1 | 128.9 | -169.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 319 | S | 28 | Very low | 27.9 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 77 | 153.9 | 141.8 | 81.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 320 | Q | 30.8 | Very low | 28 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | cis | -133.6 | 157.3 | 15.6 | -65.7 | 173.7 | 6.5 | 0 | 0 | 113.3 | ||||
| 321 | Q | 26.9 | Very low | 28.1 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -80.8 | 146.9 | 171.2 | -72.3 | 171 | -52.4 | 0 | 0 | 112.2 | ||||
| 322 | A | 26.7 | Very low | 28.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -154.9 | 100.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 323 | N | 27.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -84.6 | 130.6 | 166.3 | -77.7 | -27.6 | 0 | 0 | 0 | 109.3 | ||||
| 324 | I | 30.5 | Very low | 27.6 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -133.7 | 143.7 | 143.4 | -59.4 | -174.3 | 0 | 0 | 0 | 108.8 | ||||
| 325 | H | 25.8 | Very low | 27.8 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -106.6 | 132.4 | -158 | 168.7 | 101.5 | 0 | 0 | 0 | 112 | ||||
| 326 | T | 27.5 | Very low | 28 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -149.3 | 104.2 | 162.8 | -31.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 327 | R | 24.9 | Very low | 28.3 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 75% | 0.751 | 79% | 0.791 | S | S | * | * | trans | 62.2 | 108 | 133.7 | -160.1 | 177.5 | -160.2 | 158 | 4.5 | 120.9 | ||||
| 328 | T | 26.7 | Very low | 28.7 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -57.6 | 134.9 | 156.9 | -43.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 329 | Q | 29.9 | Very low | 29.1 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -147.9 | 118.7 | 145.4 | -73.6 | -161.6 | -31.2 | 0 | 0 | 109.7 | ||||
| 330 | D | 26.6 | Very low | 29.3 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -80 | 123.8 | 170.4 | -68.1 | -69.2 | 0 | 0 | 0 | 110.5 | ||||
| 331 | I | 29.9 | Very low | 29.3 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -138.6 | 130.6 | 159.3 | -56.4 | -177.9 | 0 | 0 | 0 | 109.7 | ||||
| 332 | T | 28.5 | Very low | 29.5 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -51.1 | 143.7 | 179.5 | -9.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 333 | P | 30.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -88.8 | 101.3 | 166 | 33.1 | -30 | 0 | 0 | 0 | 111.4 | ||||
| 334 | E | 26.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 158.5 Ų | 158.5 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -74.7 | 145.7 | 162.1 | -72.5 | -156.3 | 138.6 | 0 | 0 | 110.9 | ||||
| 335 | T | 30.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 162 Ų | 162 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -106.4 | 109.5 | -173.5 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 336 | E | 31.4 | Very low | 29.9 | Very low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76 | 131.5 | 174.2 | -70.9 | -165 | 148.2 | 0 | 0 | 112.4 | ||
| 337 | P | 34.3 | Very low | 29.8 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 73% | 0.734 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 160.4 | 173.7 | 33.8 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 338 | P | 32.4 | Very low | 30 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 140.5 | -163.1 | -16.8 | 32.2 | 0 | 0 | 0 | 115.8 | Q340 | P338-Q340 PolarHBondContact O-N 3.05Š|
| 339 | L | 33.5 | Very low | 30 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.5 | 175.3 | -68.3 | 168.5 | 0 | 0 | 0 | 112.8 | ||
| 340 | Q | 32.3 | Very low | 30 | Very low | 188 Ų | 188 | 157.6 Ų | 157.6 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 128.3 | 174.3 | -66.6 | -176 | -4.4 | 0 | 0 | 111.7 | P338 K342 | P338-Q340 PolarHBondContact O-N 3.05Å; Q340-K342 PolarHBondContact O-N 2.74Å |
| 341 | K | 31.9 | Very low | 30.1 | Very low | 207 Ų | 207 | 159.6 Ų | 159.6 | 90% | 0.9 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.3 | 178.3 | -68.2 | -179.8 | 177.9 | 179.1 | 0 | 110.9 | A343 | K341-A343 PolarHBondContact O-N 2.82Š|
| 342 | K | 30.3 | Very low | 30 | Very low | 210 Ų | 210 | 161.6 Ų | 161.6 | 91% | 0.913 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.5 | 174.8 | -67.6 | -180 | 178.3 | 178.5 | 0 | 110.8 | Q340 | Q340-K342 PolarHBondContact O-N 2.74Š|
| 343 | A | 28.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 165.2 Ų | 165.2 | 85% | 0.851 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 126.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K341 | K341-A343 PolarHBondContact O-N 2.82Š|
| 344 | K | 33 | Very low | 30.2 | Very low | 209 Ų | 209 | 169 Ų | 169 | 91% | 0.909 | 87% | 0.871 | S | S | * | * | trans | -94.5 | 115.5 | 177.6 | -165.7 | 175.8 | -177 | -176.8 | 0 | 108.4 | ||||
| 345 | R | 28.9 | Very low | 30.4 | Very low | 246 Ų | 246 | 163.3 Ų | 163.3 | 93% | 0.928 | 86% | 0.863 | S | S | * | * | trans | -71.5 | 130.8 | 169.1 | -74.1 | -175.1 | 178.4 | -172.5 | -0.8 | 109 | ||||
| 346 | G | 28.8 | Very low | 30.5 | Very low | 77 Ų | 77 | 166.1 Ų | 166.1 | 79% | 0.794 | 87% | 0.867 | S | S | * | * | trans | -106.1 | 151.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 347 | T | 25.6 | Very low | 30.5 | Very low | 149 Ų | 149 | 164.8 Ų | 164.8 | 91% | 0.914 | 86% | 0.864 | S | S | * | * | trans | -119.1 | 146 | 179.6 | -62.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 348 | G | 28.2 | Very low | 30.4 | Very low | 67 Ų | 67 | 165.5 Ų | 165.5 | 69% | 0.691 | 87% | 0.866 | S | S | * | * | trans | 98.2 | 146.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 349 | E | 27.9 | Very low | 30.2 | Very low | 194 Ų | 194 | 166.8 Ų | 166.8 | 91% | 0.907 | 87% | 0.866 | S | S | * | * | cis | -144.1 | 164 | -3.6 | -96.1 | 156.1 | 168.5 | 0 | 0 | 108.8 | ||||
| 350 | E | 29.8 | Very low | 29.9 | Very low | 195 Ų | 195 | 163 Ų | 163 | 91% | 0.911 | 86% | 0.855 | S | S | * | * | trans | -86.4 | 124.8 | 175.7 | -66 | 177.8 | 152.1 | 0 | 0 | 109.7 | ||||
| 351 | E | 28.8 | Very low | 30 | Very low | 195 Ų | 195 | 158.3 Ų | 158.3 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -125.5 | 130.7 | 162.1 | -73.1 | -171.8 | 153.4 | 0 | 0 | 109.3 | ||||
| 352 | Q | 27 | Very low | 30.1 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | -86.4 | 139.2 | 174.4 | -66.2 | 168.5 | -25.6 | 0 | 0 | 108.8 | ||||
| 353 | E | 31.8 | Very low | 30.3 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -138.9 | 109.5 | 154.7 | -138.4 | 177.9 | -161.6 | 0 | 0 | 108.9 | ||||
| 354 | E | 32.5 | Very low | 30.8 | Very low | 199 Ų | 199 | 158.8 Ų | 158.8 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | trans | -74.8 | 137.7 | 168.2 | -65.7 | -175.4 | 142.5 | 0 | 0 | 108.8 | ||||
| 355 | G | 30.8 | Very low | 30.8 | Very low | 72 Ų | 72 | 157.2 Ų | 157.2 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | -159.6 | 52 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I357 | G355-I357 PolarHBondContact O-N 2.76Š| ||
| 356 | E | 32 | Very low | 30.9 | Very low | 192 Ų | 192 | 154.8 Ų | 154.8 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | -65.1 | 116.9 | 174.4 | -178.4 | -179.2 | -179.9 | 0 | 0 | 110.7 | ||||
| 357 | I | 32.5 | Very low | 31 | Very low | 160 Ų | 160 | 157.1 Ų | 157.1 | 82% | 0.821 | 83% | 0.833 | S | S | * | * | trans | -138.6 | 100.2 | 164.2 | 44.1 | 168 | 0 | 0 | 0 | 111.5 | G355 | G355-I357 PolarHBondContact O-N 2.76Š| ||
| 358 | V | 31.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 153.8 Ų | 153.8 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | 36.7 | 109.6 | 144 | -179.7 | 0 | 0 | 0 | 0 | 117.5 | S360 | V358-S360 PolarHBondContact O-N 2.95Š| ||
| 359 | D | 28.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -59.6 | 118.2 | 157.8 | -167.3 | 18.2 | 0 | 0 | 0 | 110.1 | ||||
| 360 | S | 28.3 | Very low | 31.5 | Very low | 97 Ų | 97 | 157.8 Ų | 157.8 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | trans | -107.4 | 87.3 | 175 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | V358 D362 | V358-S360 PolarHBondContact O-N 2.95Å; S360-D362 PolarHBondContact O-N 3.09Å | ||
| 361 | S | 33.7 | Very low | 31.5 | Very low | 89 Ų | 89 | 156.3 Ų | 156.3 | 62% | 0.622 | 83% | 0.831 | S | S | * | * | trans | -53.6 | 123.8 | 164 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 362 | D | 33.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -113.2 | 122.9 | 162 | -100.6 | -24.7 | 0 | 0 | 0 | 107.8 | S360 | S360-D362 PolarHBondContact O-N 3.09Š| ||
| 363 | E | 36.3 | Very low | 31.7 | Very low | 180 Ų | 180 | 151 Ų | 151 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -70.8 | 130.9 | -179 | -55.2 | -95.6 | 130.9 | 0 | 0 | 110.2 | ||||
| 364 | E | 39 | Very low | 31.6 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -104.9 | 110.2 | 161.3 | -75.4 | -164 | 166.4 | 0 | 0 | 109.1 | E366 | E364-E366 PolarHBondContact O-N 2.81Š| ||
| 365 | E | 32.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -66.4 | 117.6 | 175.2 | -68.9 | -170.2 | 155.9 | 0 | 0 | 111.8 | T367 | E365-T367 PolarHBondContact O-N 3.16Å; E365-T367 VanDerWaalsContact O-N 3.11Å | ||
| 366 | E | 30.3 | Very low | 31.6 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -73.8 | 95.5 | 164 | -82.6 | -153.7 | 145.3 | 0 | 0 | 110.9 | E364 G368 | E364-E366 PolarHBondContact O-N 2.81Å; E366-G368 PolarHBondContact O-N 3.12Å | ||
| 367 | T | 31.9 | Very low | 31.6 | Very low | 126 Ų | 126 | 152.5 Ų | 152.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -85.2 | 84.2 | 159.3 | 48.6 | 0 | 0 | 0 | 0 | 110 | E365 S369 | E365-T367 PolarHBondContact O-N 3.16Å; E365-T367 VanDerWaalsContact O-N 3.11Å; T367-S369 PolarHBondContact O-N 3.49Å | ||
| 368 | G | 27.8 | Very low | 31.9 | Very low | 78 Ų | 78 | 151.8 Ų | 151.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 119.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E366 | E366-G368 PolarHBondContact O-N 3.12Š| ||
| 369 | S | 30.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -113.9 | 111.2 | 163.5 | -164.8 | 0 | 0 | 0 | 0 | 109.1 | T367 | T367-S369 PolarHBondContact O-N 3.49Š| ||
| 370 | R | 32.5 | Very low | 32.9 | Very low | 225 Ų | 225 | 149.6 Ų | 149.6 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | trans | -105 | 104.6 | -175.2 | 169.4 | -178.4 | 163.8 | -174.4 | -6.1 | 107.6 | ||||
| 371 | D | 30.2 | Very low | 33 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -126.6 | 129.5 | 168.1 | -121.6 | -24.8 | 0 | 0 | 0 | 110.7 | ||||
| 372 | Q | 31 | Very low | 32.8 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -136.6 | 113 | -168.8 | 174.1 | 177.2 | 12 | 0 | 0 | 108.7 | ||||
| 373 | C | 28.2 | Very low | 32.7 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -158.7 | 143.5 | 159.4 | -114 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 374 | L | 31.3 | Very low | 32.5 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 70.1 | 84.2 | 151.5 | -56.8 | 175.4 | 0 | 0 | 0 | 119.7 | ||||
| 375 | R | 31.7 | Very low | 32 | Very low | 251 Ų | 251 | 142.7 Ų | 142.7 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | -88.2 | 134.1 | 137.5 | 178.1 | -167.1 | -93.2 | -162.6 | -5.3 | 107.7 | ||||
| 376 | N | 31.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 145 Ų | 145 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | trans | -123.5 | 127.6 | -179.9 | -91.7 | -9.9 | 0 | 0 | 0 | 112.5 | ||||
| 377 | Y | 32.5 | Very low | 31.9 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 65.3 | 139.7 | 141.7 | -71.4 | -48.2 | 0 | 0 | 0 | 120.4 | ||||
| 378 | L | 38 | Very low | 31.8 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | cis | -160.1 | -178.2 | 4.2 | -93.1 | 162.7 | 0 | 0 | 0 | 107.5 | ||||
| 379 | P | 49.2 | Very low | 32.1 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 57% | 0.571 | 77% | 0.766 | S | S | * | * | -140.8 | -171 | -52.3 | 42.7 | -24.6 | 0 | 0 | 0 | 115.6 | |||||
| 380 | D | 30.2 | Very low | 32 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 142.4 | 158.6 | -51.8 | -27.8 | 0 | 0 | 0 | 119 | ||||
| 381 | D | 30.8 | Very low | 31.8 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | cis | -153.2 | 160 | 23.3 | -142.8 | -22.9 | 0 | 0 | 0 | 115.5 | ||||
| 382 | A | 30.1 | Very low | 31.7 | Very low | 78 Ų | 78 | 140 Ų | 140 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | trans | 46.7 | 112.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 383 | S | 31.3 | Very low | 31.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 132.7 | 144 | 105.2 | 76.2 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 384 | T | 31 | Very low | 31.7 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | trans | 86.9 | 80.7 | 149.6 | -41.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 385 | C | 28.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | 62.2 | 143.5 | 120.4 | -59 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 386 | R | 30.9 | Very low | 31.7 | Very low | 223 Ų | 223 | 137.6 Ų | 137.6 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 77 | 145.4 | 150.6 | -80.7 | -176.8 | 151.4 | 144.1 | -2.3 | 118.7 | ||||
| 387 | E | 29.6 | Very low | 31.8 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -152.9 | 162 | -14.7 | -160.6 | 159.1 | 105.5 | 0 | 0 | 109.8 | ||||
| 388 | S | 31.7 | Very low | 32.5 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -50.4 | 149.7 | -174.6 | -41.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 389 | A | 32.9 | Very low | 32.3 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -162.4 | 122.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 390 | E | 29.1 | Very low | 31.5 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -83.3 | 162.7 | 165.2 | -63 | 167.9 | 111.6 | 0 | 0 | 110.3 | ||||
| 391 | V | 27 | Very low | 31.6 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | 168.7 | 126 | 120.6 | 156.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 392 | T | 28.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -17.3 | 132.2 | 168.8 | 56.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 393 | V | 29 | Very low | 32.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 32 | 125.5 | 110.5 | -176.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 394 | T | 29.8 | Very low | 32 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | -164.8 | 161.3 | 118.9 | 26.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 395 | E | 34.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -83.8 | -161.6 | -173.1 | -61.8 | 177.9 | 93.6 | 0 | 0 | 114.5 | ||||
| 396 | E | 30.5 | Very low | 32.6 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | 107.9 | 109.5 | 154.4 | -49.9 | -63.9 | 172.9 | 0 | 0 | 117.4 | ||||
| 397 | N | 32.5 | Very low | 32.8 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -67.1 | 166.2 | 156.9 | -101.5 | -41.9 | 0 | 0 | 0 | 109.7 | ||||
| 398 | P | 48.4 | Very low | 33.2 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | cis | -158 | 173.9 | 50 | 42.2 | -19.3 | 0 | 0 | 0 | 119.9 | ||||
| 399 | V | 32.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 134 Ų | 134 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 21.6 | 125.2 | 132.8 | -169.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 400 | N | 32.4 | Very low | 33.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | -175.8 | 175.3 | 71.9 | -148.8 | 6.5 | 0 | 0 | 0 | 114 | |||||
| 401 | E | 32.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | 25.4 | 148.8 | 144.9 | -74.4 | 159.5 | -148.7 | 0 | 0 | 121 | ||||
| 402 | T | 36.3 | Very low | 34 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | cis | -162.7 | 178.8 | 11.4 | 5.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 403 | E | 34.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | cis | -137.4 | 175.2 | 1.2 | -116.7 | -158.8 | 113.8 | 0 | 0 | 106.8 | ||||
| 404 | C | 30.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | 63.2 | 141.6 | 61.2 | -133.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 405 | V | 36.9 | Very low | 34.5 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 55% | 0.552 | 72% | 0.723 | S | S | * | * | -171.2 | 146.3 | 54.1 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 406 | L | 35.7 | Very low | 34.6 | Very low | 150 Ų | 150 | 130 Ų | 130 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 61.2 | 140.8 | 157.5 | -68.9 | 161.5 | 0 | 0 | 0 | 120.3 | ||||
| 407 | T | 34.7 | Very low | 34.8 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | cis | -163.4 | 145.8 | -12.1 | 5.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 408 | H | 37.5 | Very low | 35.1 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | 23 | 155.7 | 121 | -64.3 | -111.2 | 0 | 0 | 0 | 121 | |||||
| 409 | H | 34.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 62% | 0.616 | 72% | 0.723 | S | S | * | * | cis | -158 | 150.6 | -3.3 | -115.6 | -13.2 | 0 | 0 | 0 | 106.2 | ||||
| 410 | I | 33.9 | Very low | 35 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | 54.6 | 128.7 | 78.5 | -83.3 | 174.2 | 0 | 0 | 0 | 111.3 | |||||
| 411 | Q | 34.8 | Very low | 35.3 | Very low | 143 Ų | 143 | 126 Ų | 126 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | cis | -156.7 | 158 | 32.6 | -163.1 | 57.9 | -29 | 0 | 0 | 114.3 | ||||
| 412 | L | 34.5 | Very low | 35.9 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -6.4 | 148.4 | 158.3 | -51.9 | 165.3 | 0 | 0 | 0 | 121.2 | ||||
| 413 | G | 30.4 | Very low | 35.9 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -164.1 | 113 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 414 | N | 35.8 | Very low | 36.4 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -77.7 | 152.3 | 169.3 | -70.3 | -17.8 | 0 | 0 | 0 | 110 | ||||
| 415 | D | 32.8 | Very low | 37.3 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | -171.8 | 122.8 | 126.2 | -104.7 | -38.3 | 0 | 0 | 0 | 115.7 | |||||
| 416 | S | 34.8 | Very low | 37.8 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | 45.3 | 109.5 | 119.9 | -49.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 417 | A | 35.7 | Very low | 37.9 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | 60.7 | 118.9 | 126.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 418 | A | 38 | Very low | 38.1 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | 177.4 | 125.3 | 134.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 419 | A | 36.8 | Very low | 38.1 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 66.9 | 101.6 | 52.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 420 | S | 41.9 | Very low | 38.3 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | 179.5 | 137.2 | 132.2 | -77.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 421 | D | 39 | Very low | 38.6 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | trans | -65.2 | 153.3 | 166.6 | -94.5 | -58.7 | 0 | 0 | 0 | 113.4 | ||||
| 422 | S | 44.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | -162.2 | 132.4 | 125.2 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 423 | C | 38 | Very low | 39.1 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 74% | 0.736 | 86% | 0.857 | S | S | * | * | trans | -64.4 | 153 | 161.7 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 424 | Q | 44.7 | Very low | 39.8 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 86% | 0.861 | S | S | * | * | -162.8 | 156.1 | 117.9 | -109.3 | 173.5 | 2.8 | 0 | 0 | 112 | |||||
| 425 | M | 47.3 | Very low | 40.1 | Very low | 184 Ų | 184 | 143 Ų | 143 | 91% | 0.906 | 86% | 0.864 | S | S | * | * | trans | -89.5 | 144.6 | 178.8 | -50.1 | 171.6 | -167.6 | 0 | 0 | 110.3 | ||||
| 426 | E | 48.1 | Very low | 40.8 | Very low | 273 Ų | 273 | 142.5 Ų | 142.5 | 100% | 1.276 | 87% | 0.87 | S | S | * | * | -162.3 | 0 | 116.1 | -103.1 | -174.5 | 147.8 | 0 | 0 | 110.2 |
Retrieved 426 of 426 residues in 454.4 ms
(Link to these results)