| 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 | 61.6 | Low | 58.7 | Low | 244 Ų | 244 | 159.2 Ų | 159.2 | 100% | 1.202 | 82% | 0.822 | S | S | * | * | 0 | 104.2 | 0 | -73.1 | 167.4 | -176 | 0 | 0 | 107.3 | |||||
| 2 | M | 48.5 | Very low | 58.5 | Low | 161 Ų | 161 | 155.9 Ų | 155.9 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -82 | 140.1 | 173.8 | -72.9 | 85 | 153.8 | 0 | 0 | 109.7 | ||||
| 3 | S | 52.7 | Low | 57.8 | Low | 105 Ų | 105 | 155.7 Ų | 155.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | 150 | 149.2 | 139.7 | 47.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | Y | 61 | Low | 56.9 | Low | 205 Ų | 205 | 149.3 Ų | 149.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -164.1 | 131.4 | -34.9 | -95.6 | -65.8 | 0 | 0 | 0 | 102.8 | K6 | Y4-K6 PolarHBondContact O-N 2.68Š| ||
| 5 | L | 65.7 | Low | 56.4 | Low | 159 Ų | 159 | 151.6 Ų | 151.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -69.7 | 119.6 | 176.9 | -162.2 | 71.2 | 0 | 0 | 0 | 109.2 | Q7 | L5-Q7 PolarHBondContact O-N 3.35Å; L5-Q7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | K | 67.5 | Low | 55.7 | Low | 202 Ų | 202 | 148.9 Ų | 148.9 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -74.4 | 96 | 179.1 | -176.8 | 155 | 171.9 | 162.9 | 0 | 110.3 | Y4 | Y4-K6 PolarHBondContact O-N 2.68Š| ||
| 7 | Q | 56 | Low | 55.3 | Low | 146 Ų | 146 | 150.4 Ų | 150.4 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | trans | -73 | 136.2 | 168.6 | -75.2 | -92.6 | -42 | 0 | 0 | 110.4 | L5 | L5-Q7 PolarHBondContact O-N 3.35Å; L5-Q7 VanDerWaalsContact O-N 3.12Å | ||
| 8 | P | 63.1 | Low | 55 | Low | 88 Ų | 88 | 148.5 Ų | 148.5 | 57% | 0.571 | 81% | 0.812 | S | S | * | * | trans | -67.4 | 141.3 | 165 | -11.8 | 26.2 | 0 | 0 | 0 | 110.3 | Y10 | P8-Y10 PolarHBondContact O-N 3.21Å; P8-Y10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | P | 66.5 | Low | 54.8 | Low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -73.5 | 108.2 | 177.6 | 29.7 | -30.9 | 0 | 0 | 0 | 109.6 | A11 | P9-A11 PolarHBondContact O-N 3.07Š| ||
| 10 | Y | 44.8 | Very low | 54.5 | Low | 201 Ų | 201 | 144.7 Ų | 144.7 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 108 | 158.1 | -71.6 | -83.6 | 0 | 0 | 0 | 108 | P8 V12 | P8-Y10 PolarHBondContact O-N 3.21Å; P8-Y10 VanDerWaalsContact O-N 3.12Å; Y10-V12 PolarHBondContact O-N 3.4Å | ||
| 11 | A | 58.5 | Low | 54.2 | Low | 109 Ų | 109 | 141.1 Ų | 141.1 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -75 | 107.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | P9 | P9-A11 PolarHBondContact O-N 3.07Š| ||
| 12 | V | 55.7 | Low | 54 | Low | 120 Ų | 120 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -121.9 | 148.2 | 166.3 | 90.3 | 0 | 0 | 0 | 0 | 107.2 | Y10 | Y10-V12 PolarHBondContact O-N 3.4Š| ||
| 13 | N | 49.8 | Very low | 54 | Low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 88.9 | 127.2 | -178.1 | -55.5 | -0 | 0 | 0 | 0 | 113.7 | ||||
| 14 | G | 46 | Very low | 54 | Low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | cis | 101.4 | 103.5 | 33.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | L | 49.4 | Very low | 53.6 | Low | 184 Ų | 184 | 134.7 Ų | 134.7 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | trans | 11 | 112.3 | 154 | -57.9 | 166.4 | 0 | 0 | 0 | 116.3 | ||||
| 16 | S | 45 | Very low | 53 | Low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -142.7 | 113.5 | 150.5 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 17 | L | 48.8 | Very low | 52.5 | Low | 175 Ų | 175 | 132 Ų | 132 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -82.7 | 113.5 | 161.9 | -77.5 | 152.8 | 0 | 0 | 0 | 106.6 | ||||
| 18 | T | 50.3 | Low | 52.4 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -170.1 | 113.3 | 151.6 | 46.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 19 | T | 50.2 | Low | 52.3 | Low | 119 Ų | 119 | 131.7 Ų | 131.7 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | 89.2 | 125.3 | 103.6 | -163.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 20 | S | 49.4 | Very low | 51.5 | Low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 69.5 | 120.9 | 161.3 | -52.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 21 | G | 48.8 | Very low | 52.2 | Low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 127.9 | 81.6 | 17.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 22 | M | 56 | Low | 52.4 | Low | 158 Ų | 158 | 129.5 Ų | 129.5 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -164.5 | 125.5 | 166.9 | 38.8 | -83 | 168.3 | 0 | 0 | 111 | ||||
| 23 | D | 48 | Very low | 52.7 | Low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 56.7 | 102.4 | 153.1 | -76 | -95.6 | 0 | 0 | 0 | 120.2 | ||||
| 24 | L | 54.3 | Low | 53.5 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | 89.1 | 102.8 | 77.1 | -95.7 | 82.8 | 0 | 0 | 0 | 112.6 | |||||
| 25 | L | 52.6 | Low | 54.4 | Low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 59.5 | 92 | 138.5 | -49.3 | 179.6 | 0 | 0 | 0 | 118.6 | ||||
| 26 | H | 52.2 | Low | 55.1 | Low | 194 Ų | 194 | 132 Ų | 132 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -127.2 | 111.7 | 151.5 | -138 | -119.5 | 0 | 0 | 0 | 109.1 | ||||
| 27 | P | 57.5 | Low | 56.2 | Low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -82 | 131.7 | -178.2 | 31.3 | -30.6 | 0 | 0 | 0 | 111.8 | ||||
| 28 | S | 52.6 | Low | 57.5 | Low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 40.6 | 83.3 | 153.4 | 75.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 29 | V | 61.5 | Low | 58.9 | Low | 114 Ų | 114 | 140.2 Ų | 140.2 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -127 | 101.8 | 137.6 | 172.8 | 0 | 0 | 0 | 0 | 106 | Y31 | V29-Y31 VanDerWaalsContact C-N 3.33Å; V29-Y31 HydrophobicContact CG1-CD2 4.47Å; V29-Y31 HydrophobicContact CG1-CE2 4.2Å; V29-Y31 WeakPolarHBondContact O-CD2 3.27Å; V29-Y31 PolarHBondContact O-N 3.22Å | ||
| 30 | G | 51.1 | Low | 60.4 | Low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 89.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 31 | Y | 59.5 | Low | 62.2 | Low | 197 Ų | 197 | 144.3 Ų | 144.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -58.1 | 130.4 | 159.8 | -71.3 | -87 | 0 | 0 | 0 | 107.4 | V29 A33 | V29-Y31 VanDerWaalsContact C-N 3.33Å; V29-Y31 HydrophobicContact CG1-CD2 4.47Å; V29-Y31 HydrophobicContact CG1-CE2 4.2Å; V29-Y31 WeakPolarHBondContact O-CD2 3.27Å; V29-Y31 PolarHBondContact O-N 3.22Å; Y31-A33 PolarHBondContact O-N 2.98Å | ||
| 32 | P | 60.8 | Low | 64.2 | Low | 120 Ų | 120 | 151 Ų | 151 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -58.5 | 108.9 | 171.8 | 24.6 | -31.1 | 0 | 0 | 0 | 106.2 | T34 | P32-T34 PolarHBondContact O-N 3Š| ||
| 33 | A | 62.8 | Low | 65.9 | Low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -49.8 | 113.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y31 | Y31-A33 PolarHBondContact O-N 2.98Š| ||
| 34 | T | 66.5 | Low | 68.2 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -44.9 | 121.7 | 178.4 | 52.7 | 0 | 0 | 0 | 0 | 107.4 | P32 R36 | P32-T34 PolarHBondContact O-N 3Å; T34-R36 PolarHBondContact O-N 2.88Å | ||
| 35 | P | 65.3 | Low | 70.2 | Confident | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -57.1 | 112.6 | -173.3 | 20.8 | -31.3 | 0 | 0 | 0 | 107.5 | K37 | P35-K37 PolarHBondContact O-N 3.12Š| ||
| 36 | R | 64.4 | Low | 72.3 | Confident | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | trans | -52.6 | 119.9 | 178.6 | -59.8 | -166.9 | -143.5 | 128.2 | 0.9 | 106.2 | T34 Q38 | T34-R36 PolarHBondContact O-N 2.88Å; R36-Q38 PolarHBondContact O-N 3.3Å | ||
| 37 | K | 66.9 | Low | 74.5 | Confident | 206 Ų | 206 | 135.9 Ų | 135.9 | 90% | 0.896 | 69% | 0.694 | S | S | * | * | trans | -29.6 | 100.2 | -175.3 | -86.9 | 107.1 | 171.5 | -176.3 | 0 | 111.4 | P35 R39 | P35-K37 PolarHBondContact O-N 3.12Å; K37-R39 PolarHBondContact O-N 3.12Å | ||
| 38 | Q | 77.6 | Confident | 76.4 | Confident | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | trans | -61 | 114.4 | 175 | -177.3 | 69.3 | 18.9 | 0 | 0 | 106.6 | R36 R40 | R36-Q38 PolarHBondContact O-N 3.3Å; Q38-R40 PolarHBondContact O-N 3.22Å; Q38-R40 VanDerWaalsContact O-N 3.17Å | ||
| 39 | R | 79.8 | Confident | 78.6 | Confident | 202 Ų | 202 | 129.9 Ų | 129.9 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.9 | 177.6 | -179 | 171.9 | 177.8 | -110.2 | 6.6 | 107.9 | K37 E41 | K37-R39 PolarHBondContact O-N 3.12Å; R39-E41 PolarHBondContact O-N 3.27Å |
| 40 | R | 80.4 | Confident | 80.4 | Confident | 167 Ų | 167 | 126.6 Ų | 126.6 | 63% | 0.63 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.3 | -178.8 | -169.6 | 171.7 | -177.1 | -162.1 | -3.8 | 110 | Q38 R42 S80 R81 | Q38-R40 PolarHBondContact O-N 3.22Å; Q38-R40 VanDerWaalsContact O-N 3.17Å; R40-R42 PolarHBondContact O-N 3.34Å; R40-S80 PolarHBondContact NH2-OG 3.42Å; R40-R81 VanDerWaalsContact CD-NH2 3.32Å |
| 41 | E | 87.1 | Confident | 82.6 | Confident | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.654 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 135.8 | 179 | -64.4 | -54.8 | 144.1 | 0 | 0 | 111.6 | R39 R81 | R39-E41 PolarHBondContact O-N 3.27Å; E41-R81 PolarHBondContact O-NH1 2.94Å |
| 42 | R | 90.6 | Very high | 84.5 | Confident | 210 Ų | 210 | 118.4 Ų | 118.4 | 79% | 0.792 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 130.6 | 179 | -175.9 | 178.7 | -178 | 177.5 | 1.5 | 109.1 | R40 | R40-R42 PolarHBondContact O-N 3.34Š|
| 43 | T | 92.6 | Very high | 86.3 | Confident | 37 Ų | 37 | 112.7 Ų | 112.7 | 23% | 0.227 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 130.9 | 174.9 | -57 | 0 | 0 | 0 | 0 | 110.2 | F45 L77 R81 | T43-F45 HydrophobicContact CG2-CE1 4.38Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; T43-L77 HydrophobicContact CG2-CD1 4.35Å; T43-L77 HydrophobicContact CG2-CD2 3.64Å; T43-R81 HydrophobicContact CG2-CG 4.44Å; T43-R81 VanDerWaalsContact OG1-CD 3.22Å; T43-R81 WeakPolarHBondContact OG1-CD 3.14Å; T43-R81 PolarHBondContact OG1-NH1 3.03Å |
| 44 | T | 95.7 | Very high | 88 | Confident | 124 Ų | 124 | 111.5 Ų | 111.5 | 76% | 0.761 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 127.1 | 168.2 | -59.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 45 | F | 96.2 | Very high | 89.5 | Confident | 54 Ų | 54 | 108.8 Ų | 108.8 | 24% | 0.237 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 136 | -179.9 | -58.2 | -88.3 | 0 | 0 | 0 | 110.1 | T43 Q49 L50 L53 L77 W85 | T43-F45 HydrophobicContact CG2-CE1 4.38Å; T43-F45 HydrophobicContact CG2-CZ 4.42Å; F45-Q49 VanDerWaalsContact CA-OE1 3.32Å; F45-L50 HydrophobicContact CB-CD1 4.46Å; F45-L50 HydrophobicContact CB-CD2 3.71Å; F45-L50 HydrophobicContact CB-CG 3.82Å; F45-L50 HydrophobicContact CD2-CD2 4.42Å; F45-L50 HydrophobicContact CG-CD2 4.06Å; F45-L53 HydrophobicContact CD1-CD1 3.9Å; F45-L53 HydrophobicContact CE1-CD1 3.97Å; F45-L77 HydrophobicContact CD1-CD1 3.47Å; F45-L77 VanDerWaalsContact CD1-CD1 3.47Å; F45-L77 HydrophobicContact CE1-CD1 3.38Å; F45-W85 HydrophobicContact CE1-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.77Å; F45-W85 HydrophobicContact CZ-CB 4.01Å; F45-W85 AromaticContact CZ-CD1 3.73Å; F45-W85 HydrophobicContact CZ-CG 4.23Å |
| 46 | T | 98 | Very high | 91 | Very high | 78 Ų | 78 | 104 Ų | 104 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 164.6 | 168.3 | 75.8 | 0 | 0 | 0 | 0 | 110.3 | A48 Q49 L50 | T46-A48 PolarHBondContact O-N 2.96Å; T46-Q49 PolarHBondContact O-N 3.32Å; T46-Q49 VanDerWaalsContact OG1-CG 3.27Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.45Å; T46-Q49 PolarHBondContact OG1-N 2.73Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 3.06Å; T46-L50 VanDerWaalsContact O-N 3.1Å |
| 47 | R | 98 | Very high | 92.6 | Very high | 164 Ų | 164 | 93.6 Ų | 93.6 | 62% | 0.619 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.8 | -46.7 | 179.4 | -178 | 62.3 | -165.1 | -171.5 | 5.9 | 112.3 | Q49 L50 D51 | R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 3.36Å; R47-L50 WeakPolarHBondContact O-CA 3.3Å; R47-L50 WeakPolarHBondContact O-CB 3.08Å; R47-L50 PolarHBondContact O-N 3.18Å; R47-D51 IonicContact CZ-OD1 3.28Å; R47-D51 VanDerWaalsContact CZ-OD1 3.28Å; R47-D51 IonicContact NE-OD1 2.99Å; R47-D51 PolarHBondContact NE-OD1 3.34Å; R47-D51 IonicContact NE-OD2 3.7Å; R47-D51 IonicContact NH2-OD1 2.99Å; R47-D51 PolarHBondContact NH2-OD1 3.49Å; R47-D51 PolarHBondContact O-N 3.4Å |
| 48 | A | 98 | Very high | 94.1 | Very high | 66 Ų | 66 | 88 Ų | 88 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T46 D51 V52 | T46-A48 PolarHBondContact O-N 2.96Å; A48-D51 PolarHBondContact O-N 2.64Å; A48-V52 PolarHBondContact O-N 3.29Å |
| 49 | Q | 98.3 | Very high | 95.1 | Very high | 31 Ų | 31 | 88.8 Ų | 88.8 | 15% | 0.145 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 175.2 | -64.3 | 175.2 | -29.4 | 0 | 0 | 111.5 | F45 T46 R47 V52 L53 I75 | F45-Q49 VanDerWaalsContact CA-OE1 3.32Å; T46-Q49 PolarHBondContact O-N 3.32Å; T46-Q49 VanDerWaalsContact OG1-CG 3.27Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.45Å; T46-Q49 PolarHBondContact OG1-N 2.73Å; R47-Q49 VanDerWaalsContact C-N 3.28Å; R47-Q49 PolarHBondContact O-N 3.36Å; Q49-V52 PolarHBondContact O-N 3.45Å; Q49-L53 WeakPolarHBondContact O-CD1 3.43Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.48Å; Q49-L53 PolarHBondContact O-N 2.92Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; Q49-I75 HydrophobicContact CB-CB 4.36Å; Q49-I75 HydrophobicContact CG-CB 4.03Å; Q49-I75 PolarHBondContact NE2-O 3.33Å |
| 50 | L | 98.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 81.1 Ų | 81.1 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.6 | -68 | 174.1 | 0 | 0 | 0 | 111.6 | F45 T46 R47 V52 L53 E54 W85 | F45-L50 HydrophobicContact CB-CD1 4.46Å; F45-L50 HydrophobicContact CB-CD2 3.71Å; F45-L50 HydrophobicContact CB-CG 3.82Å; F45-L50 HydrophobicContact CD2-CD2 4.42Å; F45-L50 HydrophobicContact CG-CD2 4.06Å; T46-L50 WeakPolarHBondContact O-CG 3.49Å; T46-L50 PolarHBondContact O-N 3.06Å; T46-L50 VanDerWaalsContact O-N 3.1Å; R47-L50 WeakPolarHBondContact O-CA 3.3Å; R47-L50 WeakPolarHBondContact O-CB 3.08Å; R47-L50 PolarHBondContact O-N 3.18Å; L50-V52 VanDerWaalsContact C-N 3.32Å; L50-V52 PolarHBondContact O-N 2.98Å; L50-L53 PolarHBondContact O-N 3.47Å; L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 WeakPolarHBondContact O-CG 3.4Å; L50-E54 PolarHBondContact O-N 3.07Å; L50-W85 VanDerWaalsContact CD2-NE1 3.35Å |
| 51 | D | 98.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 79.9 Ų | 79.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 179.5 | -62.5 | -36.3 | 0 | 0 | 0 | 111.2 | R47 A48 E54 A55 | R47-D51 IonicContact CZ-OD1 3.28Å; R47-D51 VanDerWaalsContact CZ-OD1 3.28Å; R47-D51 IonicContact NE-OD1 2.99Å; R47-D51 PolarHBondContact NE-OD1 3.34Å; R47-D51 IonicContact NE-OD2 3.7Å; R47-D51 IonicContact NH2-OD1 2.99Å; R47-D51 PolarHBondContact NH2-OD1 3.49Å; R47-D51 PolarHBondContact O-N 3.4Å; A48-D51 PolarHBondContact O-N 2.64Å; D51-E54 PolarHBondContact O-N 2.94Å; D51-A55 VanDerWaalsContact O-CB 3.3Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-A55 PolarHBondContact O-N 3.49Å |
| 52 | V | 98.2 | Very high | 97.3 | Very high | 36 Ų | 36 | 80.7 Ų | 80.7 | 22% | 0.218 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | A48 Q49 L50 E54 A55 L56 V71 I75 | A48-V52 PolarHBondContact O-N 3.29Å; Q49-V52 PolarHBondContact O-N 3.45Å; L50-V52 VanDerWaalsContact C-N 3.32Å; L50-V52 PolarHBondContact O-N 2.98Å; V52-E54 VanDerWaalsContact C-N 3.35Å; V52-A55 PolarHBondContact O-N 3.46Å; V52-L56 PolarHBondContact O-N 3.32Å; V52-V71 HydrophobicContact CG1-CG1 3.98Å; V52-I75 HydrophobicContact CB-CG2 3.87Å; V52-I75 HydrophobicContact CG1-CG2 3.74Å; V52-I75 HydrophobicContact CG2-CG2 4.14Å |
| 53 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 179.5 | -72.3 | 165.8 | 0 | 0 | 0 | 111.6 | F45 Q49 L50 L56 F57 V71 I75 V82 W85 F86 | F45-L53 HydrophobicContact CD1-CD1 3.9Å; F45-L53 HydrophobicContact CE1-CD1 3.97Å; Q49-L53 WeakPolarHBondContact O-CD1 3.43Å; Q49-L53 VanDerWaalsContact O-CG 3.27Å; Q49-L53 WeakPolarHBondContact O-CG 3.48Å; Q49-L53 PolarHBondContact O-N 2.92Å; Q49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 3.23Å; L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 PolarHBondContact O-N 3.1Å; L53-V71 HydrophobicContact CD2-CG1 3.98Å; L53-I75 HydrophobicContact CD1-CD1 3.96Å; L53-I75 HydrophobicContact CD2-CD1 3.88Å; L53-I75 HydrophobicContact CG-CD1 3.83Å; L53-V82 HydrophobicContact CD2-CG1 3.93Å; L53-V82 HydrophobicContact CD2-CG2 4.35Å; L53-W85 HydrophobicContact CB-CD2 3.99Å; L53-W85 HydrophobicContact CB-CE3 3.96Å; L53-W85 HydrophobicContact CB-CH2 3.62Å; L53-W85 HydrophobicContact CB-CZ2 3.61Å; L53-W85 HydrophobicContact CB-CZ3 3.78Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.49Å; L53-W85 HydrophobicContact CD1-CG 3.89Å; L53-W85 HydrophobicContact CD2-CD2 4.29Å; L53-W85 HydrophobicContact CD2-CE3 4.12Å; L53-W85 HydrophobicContact CG-CD2 4.29Å; L53-W85 HydrophobicContact CG-CE3 4.43Å; L53-W85 WeakPolarHBondContact O-CH2 3.47Å; L53-F86 HydrophobicContact CD2-CE2 4.03Å |
| 54 | E | 98.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 73.6 Ų | 73.6 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.1 | -38.8 | 176.7 | -71.6 | -167.5 | 161.8 | 0 | 0 | 112 | L50 D51 V52 L56 F57 A58 W85 R89 | L50-E54 WeakPolarHBondContact O-CB 3.37Å; L50-E54 WeakPolarHBondContact O-CG 3.4Å; L50-E54 PolarHBondContact O-N 3.07Å; D51-E54 PolarHBondContact O-N 2.94Å; V52-E54 VanDerWaalsContact C-N 3.35Å; E54-L56 PolarHBondContact O-N 3.36Å; E54-F57 WeakPolarHBondContact O-CB 3.35Å; E54-F57 PolarHBondContact O-N 3Å; E54-A58 PolarHBondContact O-N 3.04Å; E54-W85 HydrophobicContact CG-CH2 4Å; E54-W85 HydrophobicContact CG-CZ2 3.9Å; E54-R89 IonicContact OE1-CZ 3.08Å; E54-R89 IonicContact OE1-NH1 3.37Å; E54-R89 PolarHBondContact OE1-NH1 2.85Å |
| 55 | A | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 70.4 Ų | 70.4 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D51 V52 A58 K59 | D51-A55 VanDerWaalsContact O-CB 3.3Å; D51-A55 WeakPolarHBondContact O-CB 3.4Å; D51-A55 PolarHBondContact O-N 3.49Å; V52-A55 PolarHBondContact O-N 3.46Å; A55-A58 PolarHBondContact O-N 3.29Å; A55-K59 PolarHBondContact O-N 3.4Å |
| 56 | L | 98 | Very high | 98.1 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.12 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.5 | -176 | 62.3 | 0 | 0 | 0 | 111.4 | V52 L53 E54 A58 K59 T60 P63 M67 V71 F86 | V52-L56 PolarHBondContact O-N 3.32Å; L53-L56 PolarHBondContact O-N 3.23Å; E54-L56 PolarHBondContact O-N 3.36Å; L56-A58 VanDerWaalsContact C-N 3.28Å; L56-A58 PolarHBondContact O-N 3.38Å; L56-K59 PolarHBondContact O-N 3.49Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L56-T60 HydrophobicContact CD1-CG2 4.36Å; L56-T60 PolarHBondContact O-N 3.36Å; L56-P63 HydrophobicContact CD2-CB 4.09Å; L56-P63 HydrophobicContact CD2-CG 4.5Å; L56-M67 HydrophobicContact CD1-CE 3.67Å; L56-V71 HydrophobicContact CD2-CB 4.3Å; L56-V71 HydrophobicContact CD2-CG2 3.58Å; L56-F86 HydrophobicContact CB-CZ 4.08Å; L56-F86 HydrophobicContact CD2-CE2 4.03Å; L56-F86 HydrophobicContact CD2-CZ 3.65Å; L56-F86 HydrophobicContact CG-CZ 3.82Å |
| 57 | F | 98.4 | Very high | 98.1 | Very high | 19 Ų | 19 | 73.9 Ų | 73.9 | 8% | 0.083 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -35.6 | 177.7 | -173.7 | -94.5 | 0 | 0 | 0 | 113 | L53 E54 K59 T60 R61 W85 F86 R89 R90 | L53-F57 WeakPolarHBondContact O-CB 3.37Å; L53-F57 PolarHBondContact O-N 3.1Å; E54-F57 WeakPolarHBondContact O-CB 3.35Å; E54-F57 PolarHBondContact O-N 3Å; F57-K59 VanDerWaalsContact C-N 3.32Å; F57-T60 WeakPolarHBondContact CA-O 3.38Å; F57-T60 CarbonylContact O-C 3.48Å; F57-R61 HydrophobicContact CD2-CB 4.47Å; F57-R61 HydrophobicContact CD2-CG 4.37Å; F57-R61 HydrophobicContact CE1-CG 4.05Å; F57-R61 HydrophobicContact CE2-CB 3.95Å; F57-R61 HydrophobicContact CE2-CG 3.83Å; F57-R61 HydrophobicContact CZ-CB 4.25Å; F57-R61 HydrophobicContact CZ-CG 3.66Å; F57-W85 HydrophobicContact CB-CH2 4.16Å; F57-W85 HydrophobicContact CB-CZ3 4.14Å; F57-W85 HydrophobicContact CD2-CZ3 4.36Å; F57-F86 HydrophobicContact CB-CE1 4.06Å; F57-F86 AromaticContact CD2-CD1 3.89Å; F57-F86 HydrophobicContact CD2-CD1 3.89Å; F57-F86 AromaticContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CG-CE1 4.45Å; F57-R89 HydrophobicContact CD1-CG 4.12Å; F57-R89 HydrophobicContact CD2-CB 4.27Å; F57-R89 HydrophobicContact CD2-CG 3.56Å; F57-R89 HydrophobicContact CE1-CG 4Å; F57-R89 HydrophobicContact CE2-CB 4.08Å; F57-R89 HydrophobicContact CE2-CG 3.44Å; F57-R89 VanDerWaalsContact CE2-CG 3.44Å; F57-R89 HydrophobicContact CG-CG 3.9Å; F57-R89 HydrophobicContact CZ-CG 3.67Å; F57-R90 HydrophobicContact CE2-CG 4.02Å |
| 58 | A | 97.9 | Very high | 98.2 | Very high | 88 Ų | 88 | 68.3 Ų | 68.3 | 73% | 0.727 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.9 | -36.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E54 A55 L56 | E54-A58 PolarHBondContact O-N 3.04Å; A55-A58 PolarHBondContact O-N 3.29Å; L56-A58 VanDerWaalsContact C-N 3.28Å; L56-A58 PolarHBondContact O-N 3.38Å |
| 59 | K | 97.6 | Very high | 98.2 | Very high | 181 Ų | 181 | 69.2 Ų | 69.2 | 79% | 0.787 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.7 | -43.1 | 175.3 | -176.4 | 159.8 | 178 | 160.1 | 0 | 112.8 | A55 L56 F57 | A55-K59 PolarHBondContact O-N 3.4Å; L56-K59 PolarHBondContact O-N 3.49Å; L56-K59 VanDerWaalsContact O-N 3.08Å; F57-K59 VanDerWaalsContact C-N 3.32Å |
| 60 | T | 97.8 | Very high | 98.2 | Very high | 40 Ų | 40 | 74.3 Ų | 74.3 | 25% | 0.245 | 37% | 0.369 | C | S | . | . | trans | -152.4 | 134.6 | 174 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | L56 F57 Y62 P63 M67 | L56-T60 HydrophobicContact CD1-CG2 4.36Å; L56-T60 PolarHBondContact O-N 3.36Å; F57-T60 WeakPolarHBondContact CA-O 3.38Å; F57-T60 CarbonylContact O-C 3.48Å; T60-Y62 VanDerWaalsContact C-N 3.3Å; T60-Y62 PolarHBondContact OG1-N 3Å; T60-Y62 PolarHBondContact OG1-O 2.98Å; T60-P63 HydrophobicContact CG2-CB 4.1Å; T60-M67 HydrophobicContact CG2-CE 3.45Å; T60-M67 VanDerWaalsContact CG2-CE 3.45Å; T60-M67 HydrophobicContact CG2-SD 4.31Å | ||
| 61 | R | 97.5 | Very high | 98.2 | Very high | 141 Ų | 141 | 72.7 Ų | 72.7 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -79.5 | -15.7 | 174.9 | -61.4 | -176.9 | 177.6 | 80.9 | -2.7 | 112.8 | F57 R90 | F57-R61 HydrophobicContact CD2-CB 4.47Å; F57-R61 HydrophobicContact CD2-CG 4.37Å; F57-R61 HydrophobicContact CE1-CG 4.05Å; F57-R61 HydrophobicContact CE2-CB 3.95Å; F57-R61 HydrophobicContact CE2-CG 3.83Å; F57-R61 HydrophobicContact CZ-CB 4.25Å; F57-R61 HydrophobicContact CZ-CG 3.66Å; R61-R90 WeakPolarHBondContact O-CD 3.42Å; R61-R90 PolarHBondContact O-NH1 3.46Å |
| 62 | Y | 98.5 | Very high | 98.2 | Very high | 158 Ų | 158 | 69.7 Ų | 69.7 | 62% | 0.62 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -130.2 | 74.1 | -177.3 | -62.4 | -84 | 0 | 0 | 0 | 109.5 | T60 R90 | T60-Y62 VanDerWaalsContact C-N 3.3Å; T60-Y62 PolarHBondContact OG1-N 3Å; T60-Y62 PolarHBondContact OG1-O 2.98Å; Y62-R90 VanDerWaalsContact CZ-CD 3.41Å |
| 63 | P | 97.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 74.5 Ų | 74.5 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | trans | -68.5 | 141.5 | 176.8 | 29.6 | -36.4 | 0 | 0 | 0 | 110.7 | L56 T60 M67 R68 F86 | L56-P63 HydrophobicContact CD2-CB 4.09Å; L56-P63 HydrophobicContact CD2-CG 4.5Å; T60-P63 HydrophobicContact CG2-CB 4.1Å; P63-M67 HydrophobicContact CB-CB 3.97Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.47Å; P63-R68 HydrophobicContact CB-CG 3.91Å; P63-R68 HydrophobicContact CG-CG 3.66Å; P63-R68 PolarHBondContact O-NH1 3.35Å; P63-F86 VanDerWaalsContact CD-CD1 3.47Å; P63-F86 HydrophobicContact CG-CD1 3.69Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.6Å; P63-F86 HydrophobicContact CG-CE2 3.91Å; P63-F86 HydrophobicContact CG-CG 3.89Å; P63-F86 HydrophobicContact CG-CZ 3.74Å | ||
| 64 | D | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 81.1 Ų | 81.1 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | trans | -71 | 169.6 | 174 | -168 | 18.6 | 0 | 0 | 0 | 112 | F66 M67 R68 | D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.39Å; D64-M67 PolarHBondContact O-N 3.44Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-N 2.91Å | ||
| 65 | I | 98.2 | Very high | 98.1 | Very high | 56 Ų | 56 | 78.4 Ų | 78.4 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -52.8 | -48.9 | 179.4 | -173.4 | 59.3 | 0 | 0 | 0 | 111.6 | M67 R68 E69 E79 | I65-M67 PolarHBondContact O-N 3.4Å; I65-R68 PolarHBondContact O-N 3.33Å; I65-R68 VanDerWaalsContact O-N 3.11Å; I65-E69 HydrophobicContact CD1-CG 4.31Å; I65-E69 HydrophobicContact CG1-CG 4.45Å; I65-E69 WeakPolarHBondContact O-CG 3.38Å; I65-E69 PolarHBondContact O-N 3.01Å; I65-E79 HydrophobicContact CD1-CG 4.1Å |
| 66 | F | 98.2 | Very high | 98.1 | Very high | 142 Ų | 142 | 82.3 Ų | 82.3 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | -179.4 | -59.2 | -66.5 | 0 | 0 | 0 | 112.5 | D64 R68 E69 E70 | D64-F66 VanDerWaalsContact C-N 3.33Å; D64-F66 PolarHBondContact O-N 3.39Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.24Å; F66-E69 PolarHBondContact O-N 3.09Å; F66-E70 WeakPolarHBondContact O-CB 3.34Å; F66-E70 PolarHBondContact O-N 2.94Å |
| 67 | M | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 82.4 Ų | 82.4 | 31% | 0.31 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 176.7 | -62.6 | 178.1 | 67 | 0 | 0 | 111.8 | L56 T60 P63 D64 I65 V71 | L56-M67 HydrophobicContact CD1-CE 3.67Å; T60-M67 HydrophobicContact CG2-CE 3.45Å; T60-M67 VanDerWaalsContact CG2-CE 3.45Å; T60-M67 HydrophobicContact CG2-SD 4.31Å; P63-M67 HydrophobicContact CB-CB 3.97Å; P63-M67 HydrophobicContact CB-CE 4.46Å; P63-M67 HydrophobicContact CB-SD 4.47Å; D64-M67 PolarHBondContact O-N 3.44Å; I65-M67 PolarHBondContact O-N 3.4Å; M67-V71 PolarHBondContact O-N 3.37Å |
| 68 | R | 98.6 | Very high | 98 | Very high | 47 Ų | 47 | 85.1 Ų | 85.1 | 18% | 0.177 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 176.6 | -68.5 | -165.7 | -53.7 | -88.9 | -0.1 | 111.4 | P63 D64 I65 F66 V71 A72 E79 V82 | P63-R68 HydrophobicContact CB-CG 3.91Å; P63-R68 HydrophobicContact CG-CG 3.66Å; P63-R68 PolarHBondContact O-NH1 3.35Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-N 2.91Å; I65-R68 PolarHBondContact O-N 3.33Å; I65-R68 VanDerWaalsContact O-N 3.11Å; F66-R68 VanDerWaalsContact C-N 3.29Å; F66-R68 PolarHBondContact O-N 3.24Å; R68-V71 PolarHBondContact O-N 3.06Å; R68-A72 WeakPolarHBondContact O-CB 3.23Å; R68-A72 PolarHBondContact O-N 2.9Å; R68-E79 HydrophobicContact CB-CG 4.1Å; R68-E79 IonicContact CZ-OE1 3.86Å; R68-E79 IonicContact NE-OE1 3.31Å; R68-E79 PolarHBondContact NE-OE1 3.02Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 2.94Å; R68-E79 VanDerWaalsContact NH2-OE1 3.08Å; R68-V82 HydrophobicContact CB-CG1 4.18Å; R68-V82 HydrophobicContact CG-CG1 4.15Å |
| 69 | E | 98.6 | Very high | 98 | Very high | 86 Ų | 86 | 83 Ų | 83 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.6 | -72.6 | 178.7 | 155.6 | 0 | 0 | 111.9 | I65 F66 V71 A72 L73 E79 | I65-E69 HydrophobicContact CD1-CG 4.31Å; I65-E69 HydrophobicContact CG1-CG 4.45Å; I65-E69 WeakPolarHBondContact O-CG 3.38Å; I65-E69 PolarHBondContact O-N 3.01Å; F66-E69 PolarHBondContact O-N 3.09Å; E69-V71 PolarHBondContact O-N 3.5Å; E69-A72 WeakPolarHBondContact O-CB 3.49Å; E69-A72 PolarHBondContact O-N 3.32Å; E69-L73 WeakPolarHBondContact O-CG 3.38Å; E69-L73 PolarHBondContact O-N 3.08Å; E69-E79 HydrophobicContact CG-CB 4.45Å; E69-E79 HydrophobicContact CG-CG 4.01Å |
| 70 | E | 98.3 | Very high | 97.9 | Very high | 138 Ų | 138 | 75.9 Ų | 75.9 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.3 | -48.2 | 175.9 | -172.9 | -169.6 | 167 | 0 | 0 | 111.6 | F66 K74 | F66-E70 WeakPolarHBondContact O-CB 3.34Å; F66-E70 PolarHBondContact O-N 2.94Å; E70-K74 WeakPolarHBondContact O-CB 3.47Å; E70-K74 PolarHBondContact O-N 2.75Å |
| 71 | V | 98.2 | Very high | 97.9 | Very high | 10 Ų | 10 | 75.8 Ų | 75.8 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 177.4 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | V52 L53 L56 M67 R68 E69 L73 K74 I75 | V52-V71 HydrophobicContact CG1-CG1 3.98Å; L53-V71 HydrophobicContact CD2-CG1 3.98Å; L56-V71 HydrophobicContact CD2-CB 4.3Å; L56-V71 HydrophobicContact CD2-CG2 3.58Å; M67-V71 PolarHBondContact O-N 3.37Å; R68-V71 PolarHBondContact O-N 3.06Å; E69-V71 PolarHBondContact O-N 3.5Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.4Å; V71-K74 PolarHBondContact O-N 2.84Å; V71-K74 VanDerWaalsContact O-N 3.14Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 HydrophobicContact CG1-CG2 4.43Å; V71-I75 VanDerWaalsContact O-CG1 3.29Å; V71-I75 WeakPolarHBondContact O-CG1 3.33Å; V71-I75 PolarHBondContact O-N 3.11Å |
| 72 | A | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R68 E69 N76 L77 E79 V82 | R68-A72 WeakPolarHBondContact O-CB 3.23Å; R68-A72 PolarHBondContact O-N 2.9Å; E69-A72 WeakPolarHBondContact O-CB 3.49Å; E69-A72 PolarHBondContact O-N 3.32Å; A72-N76 PolarHBondContact O-N 3.39Å; A72-N76 VanDerWaalsContact O-N 3.07Å; A72-L77 CarbonylContact C-O 3.6Å; A72-L77 WeakPolarHBondContact CB-O 3.47Å; A72-L77 PolarHBondContact O-N 3.25Å; A72-E79 HydrophobicContact CB-CB 4.32Å; A72-V82 HydrophobicContact CB-CG2 3.87Å |
| 73 | L | 98.2 | Very high | 97.9 | Very high | 137 Ų | 137 | 66.3 Ų | 66.3 | 72% | 0.717 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -48.4 | 172.7 | -68.8 | 172.5 | 0 | 0 | 0 | 111.2 | E69 V71 I75 N76 | E69-L73 WeakPolarHBondContact O-CG 3.38Å; E69-L73 PolarHBondContact O-N 3.08Å; V71-L73 VanDerWaalsContact C-N 3.32Å; V71-L73 PolarHBondContact O-N 3.4Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 2.99Å; L73-N76 PolarHBondContact O-N 3.41Å |
| 74 | K | 97.8 | Very high | 97.9 | Very high | 138 Ų | 138 | 68.8 Ų | 68.8 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.8 | -37.1 | -178.6 | -169.5 | 168.7 | 76.7 | 173.7 | 0 | 113.5 | E70 V71 | E70-K74 WeakPolarHBondContact O-CB 3.47Å; E70-K74 PolarHBondContact O-N 2.75Å; V71-K74 PolarHBondContact O-N 2.84Å; V71-K74 VanDerWaalsContact O-N 3.14Å |
| 75 | I | 97.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 7.2 | -176.9 | 74 | -175.1 | 0 | 0 | 0 | 113.9 | Q49 V52 L53 V71 L73 L77 V82 | Q49-I75 HydrophobicContact CB-CB 4.36Å; Q49-I75 HydrophobicContact CG-CB 4.03Å; Q49-I75 PolarHBondContact NE2-O 3.33Å; V52-I75 HydrophobicContact CB-CG2 3.87Å; V52-I75 HydrophobicContact CG1-CG2 3.74Å; V52-I75 HydrophobicContact CG2-CG2 4.14Å; L53-I75 HydrophobicContact CD1-CD1 3.96Å; L53-I75 HydrophobicContact CD2-CD1 3.88Å; L53-I75 HydrophobicContact CG-CD1 3.83Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CG1 4.47Å; V71-I75 HydrophobicContact CG1-CG2 4.43Å; V71-I75 VanDerWaalsContact O-CG1 3.29Å; V71-I75 WeakPolarHBondContact O-CG1 3.33Å; V71-I75 PolarHBondContact O-N 3.11Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 2.99Å; I75-L77 HydrophobicContact CD1-CD1 3.79Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4.07Å; I75-L77 HydrophobicContact CG1-CD1 3.94Å; I75-L77 HydrophobicContact CG1-CG 3.98Å; I75-V82 HydrophobicContact CD1-CG2 4.26Å |
| 76 | N | 97.9 | Very high | 98 | Very high | 146 Ų | 146 | 63 Ų | 63 | 78% | 0.781 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 49.7 | -178.6 | -69.6 | -79.7 | 0 | 0 | 0 | 113.6 | A72 L73 | A72-N76 PolarHBondContact O-N 3.39Å; A72-N76 VanDerWaalsContact O-N 3.07Å; L73-N76 PolarHBondContact O-N 3.41Å |
| 77 | L | 96.4 | Very high | 98 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 14% | 0.136 | 31% | 0.308 | C | S | . | . | trans | -128.2 | 154 | 175.6 | -67.7 | -179.8 | 0 | 0 | 0 | 110.9 | T43 F45 A72 I75 R81 | T43-L77 HydrophobicContact CG2-CD1 4.35Å; T43-L77 HydrophobicContact CG2-CD2 3.64Å; F45-L77 HydrophobicContact CD1-CD1 3.47Å; F45-L77 VanDerWaalsContact CD1-CD1 3.47Å; F45-L77 HydrophobicContact CE1-CD1 3.38Å; A72-L77 CarbonylContact C-O 3.6Å; A72-L77 WeakPolarHBondContact CB-O 3.47Å; A72-L77 PolarHBondContact O-N 3.25Å; I75-L77 HydrophobicContact CD1-CD1 3.79Å; I75-L77 HydrophobicContact CD1-CG 4.38Å; I75-L77 HydrophobicContact CG1-CB 4.07Å; I75-L77 HydrophobicContact CG1-CD1 3.94Å; I75-L77 HydrophobicContact CG1-CG 3.98Å; L77-R81 HydrophobicContact CB-CB 4.45Å | ||
| 78 | P | 97.1 | Very high | 98 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | trans | -61.6 | 142.2 | 169.6 | -21.3 | 32 | 0 | 0 | 0 | 111.4 | S80 R81 V82 | P78-S80 PolarHBondContact O-N 3.29Å; P78-S80 VanDerWaalsContact O-N 3.13Å; P78-R81 HydrophobicContact CB-CG 4.29Å; P78-R81 HydrophobicContact CG-CG 4.22Å; P78-R81 WeakPolarHBondContact O-CA 3.45Å; P78-R81 VanDerWaalsContact O-CB 3.31Å; P78-R81 WeakPolarHBondContact O-CB 3.46Å; P78-R81 PolarHBondContact O-N 2.89Å; P78-V82 PolarHBondContact O-N 3.38Å | ||
| 79 | E | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 65.2 Ų | 65.2 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -49.6 | -42.3 | 175.3 | -178.2 | -78.1 | 159.9 | 0 | 0 | 111.5 | I65 R68 E69 A72 R81 V82 Q83 | I65-E79 HydrophobicContact CD1-CG 4.1Å; R68-E79 HydrophobicContact CB-CG 4.1Å; R68-E79 IonicContact CZ-OE1 3.86Å; R68-E79 IonicContact NE-OE1 3.31Å; R68-E79 PolarHBondContact NE-OE1 3.02Å; R68-E79 IonicContact NH2-OE1 2.75Å; R68-E79 PolarHBondContact NH2-OE1 2.94Å; R68-E79 VanDerWaalsContact NH2-OE1 3.08Å; E69-E79 HydrophobicContact CG-CB 4.45Å; E69-E79 HydrophobicContact CG-CG 4.01Å; A72-E79 HydrophobicContact CB-CB 4.32Å; E79-R81 PolarHBondContact O-N 3.3Å; E79-V82 CarbonylContact O-C 3.38Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 WeakPolarHBondContact O-CB 3.35Å; E79-V82 PolarHBondContact O-N 3.08Å; E79-Q83 PolarHBondContact O-N 2.83Å |
| 80 | S | 97.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.8 | -26.8 | 178.6 | 68 | 0 | 0 | 0 | 0 | 113.5 | R40 P78 V84 | R40-S80 PolarHBondContact NH2-OG 3.42Å; P78-S80 PolarHBondContact O-N 3.29Å; P78-S80 VanDerWaalsContact O-N 3.13Å; S80-V84 WeakPolarHBondContact O-CB 3.42Å; S80-V84 VanDerWaalsContact O-CG2 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.36Å; S80-V84 PolarHBondContact O-N 3.44Å |
| 81 | R | 97.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -75.3 | -39.2 | 174.8 | -66.3 | -63 | 133.1 | 125.6 | -14.8 | 112.2 | R40 E41 T43 L77 P78 E79 V84 W85 | R40-R81 VanDerWaalsContact CD-NH2 3.32Å; E41-R81 PolarHBondContact O-NH1 2.94Å; T43-R81 HydrophobicContact CG2-CG 4.44Å; T43-R81 VanDerWaalsContact OG1-CD 3.22Å; T43-R81 WeakPolarHBondContact OG1-CD 3.14Å; T43-R81 PolarHBondContact OG1-NH1 3.03Å; L77-R81 HydrophobicContact CB-CB 4.45Å; P78-R81 HydrophobicContact CB-CG 4.29Å; P78-R81 HydrophobicContact CG-CG 4.22Å; P78-R81 WeakPolarHBondContact O-CA 3.45Å; P78-R81 VanDerWaalsContact O-CB 3.31Å; P78-R81 WeakPolarHBondContact O-CB 3.46Å; P78-R81 PolarHBondContact O-N 2.89Å; E79-R81 PolarHBondContact O-N 3.3Å; R81-V84 PolarHBondContact O-N 2.89Å; R81-W85 WeakPolarHBondContact O-CB 3.44Å; R81-W85 PolarHBondContact O-N 3.46Å |
| 82 | V | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 171.5 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | L53 R68 A72 I75 P78 E79 V84 W85 F86 | L53-V82 HydrophobicContact CD2-CG1 3.93Å; L53-V82 HydrophobicContact CD2-CG2 4.35Å; R68-V82 HydrophobicContact CB-CG1 4.18Å; R68-V82 HydrophobicContact CG-CG1 4.15Å; A72-V82 HydrophobicContact CB-CG2 3.87Å; I75-V82 HydrophobicContact CD1-CG2 4.26Å; P78-V82 PolarHBondContact O-N 3.38Å; E79-V82 CarbonylContact O-C 3.38Å; E79-V82 WeakPolarHBondContact O-CA 3.35Å; E79-V82 WeakPolarHBondContact O-CB 3.35Å; E79-V82 PolarHBondContact O-N 3.08Å; V82-V84 PolarHBondContact O-N 3.14Å; V82-W85 WeakPolarHBondContact O-CB 3.37Å; V82-W85 PolarHBondContact O-N 3.37Å; V82-W85 VanDerWaalsContact O-N 3.14Å; V82-F86 HydrophobicContact CG1-CD2 3.68Å; V82-F86 HydrophobicContact CG1-CE2 3.7Å; V82-F86 WeakPolarHBondContact O-CD2 3.35Å; V82-F86 PolarHBondContact O-N 2.82Å |
| 83 | Q | 98 | Very high | 97.7 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.5 | -48.7 | 176.6 | -177.7 | -175.7 | -23.3 | 0 | 0 | 112.4 | E79 W85 F86 K87 | E79-Q83 PolarHBondContact O-N 2.83Å; Q83-W85 VanDerWaalsContact C-N 3.35Å; Q83-F86 PolarHBondContact O-N 3.02Å; Q83-K87 PolarHBondContact O-N 3.07Å |
| 84 | V | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 35% | 0.352 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 178 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | S80 R81 V82 K87 N88 | S80-V84 WeakPolarHBondContact O-CB 3.42Å; S80-V84 VanDerWaalsContact O-CG2 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.36Å; S80-V84 PolarHBondContact O-N 3.44Å; R81-V84 PolarHBondContact O-N 2.89Å; V82-V84 PolarHBondContact O-N 3.14Å; V84-K87 PolarHBondContact O-N 3.13Å; V84-N88 PolarHBondContact O-N 2.89Å |
| 85 | W | 98.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 65 Ų | 65 | 10% | 0.095 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 175.9 | -175.4 | 99.5 | 0 | 0 | 0 | 111.3 | F45 L50 L53 E54 F57 R81 V82 Q83 K87 N88 R89 | F45-W85 HydrophobicContact CE1-CB 4.48Å; F45-W85 AromaticContact CE2-CD1 3.77Å; F45-W85 HydrophobicContact CZ-CB 4.01Å; F45-W85 AromaticContact CZ-CD1 3.73Å; F45-W85 HydrophobicContact CZ-CG 4.23Å; L50-W85 VanDerWaalsContact CD2-NE1 3.35Å; L53-W85 HydrophobicContact CB-CD2 3.99Å; L53-W85 HydrophobicContact CB-CE3 3.96Å; L53-W85 HydrophobicContact CB-CH2 3.62Å; L53-W85 HydrophobicContact CB-CZ2 3.61Å; L53-W85 HydrophobicContact CB-CZ3 3.78Å; L53-W85 HydrophobicContact CD1-CD2 3.89Å; L53-W85 HydrophobicContact CD1-CE3 4.49Å; L53-W85 HydrophobicContact CD1-CG 3.89Å; L53-W85 HydrophobicContact CD2-CD2 4.29Å; L53-W85 HydrophobicContact CD2-CE3 4.12Å; L53-W85 HydrophobicContact CG-CD2 4.29Å; L53-W85 HydrophobicContact CG-CE3 4.43Å; L53-W85 WeakPolarHBondContact O-CH2 3.47Å; E54-W85 HydrophobicContact CG-CH2 4Å; E54-W85 HydrophobicContact CG-CZ2 3.9Å; F57-W85 HydrophobicContact CB-CH2 4.16Å; F57-W85 HydrophobicContact CB-CZ3 4.14Å; F57-W85 HydrophobicContact CD2-CZ3 4.36Å; R81-W85 WeakPolarHBondContact O-CB 3.44Å; R81-W85 PolarHBondContact O-N 3.46Å; V82-W85 WeakPolarHBondContact O-CB 3.37Å; V82-W85 PolarHBondContact O-N 3.37Å; V82-W85 VanDerWaalsContact O-N 3.14Å; Q83-W85 VanDerWaalsContact C-N 3.35Å; W85-K87 VanDerWaalsContact C-N 3.33Å; W85-K87 PolarHBondContact O-N 2.88Å; W85-N88 PolarHBondContact O-N 3.31Å; W85-R89 HydrophobicContact CE3-CB 4.17Å; W85-R89 HydrophobicContact CH2-CB 4.16Å; W85-R89 HydrophobicContact CH2-CG 3.85Å; W85-R89 HydrophobicContact CZ2-CG 4.4Å; W85-R89 HydrophobicContact CZ3-CB 3.97Å; W85-R89 HydrophobicContact CZ3-CG 4.01Å; W85-R89 WeakPolarHBondContact O-CB 3.5Å; W85-R89 PolarHBondContact O-N 3.2Å |
| 86 | F | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.9 | -90.4 | -88.1 | 0 | 0 | 0 | 112.1 | L53 L56 F57 P63 V82 Q83 R89 R90 | L53-F86 HydrophobicContact CD2-CE2 4.03Å; L56-F86 HydrophobicContact CB-CZ 4.08Å; L56-F86 HydrophobicContact CD2-CE2 4.03Å; L56-F86 HydrophobicContact CD2-CZ 3.65Å; L56-F86 HydrophobicContact CG-CZ 3.82Å; F57-F86 HydrophobicContact CB-CE1 4.06Å; F57-F86 AromaticContact CD2-CD1 3.89Å; F57-F86 HydrophobicContact CD2-CD1 3.89Å; F57-F86 AromaticContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CD2-CE1 3.83Å; F57-F86 HydrophobicContact CG-CE1 4.45Å; P63-F86 VanDerWaalsContact CD-CD1 3.47Å; P63-F86 HydrophobicContact CG-CD1 3.69Å; P63-F86 HydrophobicContact CG-CD2 3.98Å; P63-F86 HydrophobicContact CG-CE1 3.6Å; P63-F86 HydrophobicContact CG-CE2 3.91Å; P63-F86 HydrophobicContact CG-CG 3.89Å; P63-F86 HydrophobicContact CG-CZ 3.74Å; V82-F86 HydrophobicContact CG1-CD2 3.68Å; V82-F86 HydrophobicContact CG1-CE2 3.7Å; V82-F86 WeakPolarHBondContact O-CD2 3.35Å; V82-F86 PolarHBondContact O-N 2.82Å; Q83-F86 PolarHBondContact O-N 3.02Å; F86-R89 PolarHBondContact O-N 2.97Å; F86-R90 WeakPolarHBondContact O-CG 3.47Å; F86-R90 PolarHBondContact O-N 2.8Å |
| 87 | K | 98.1 | Very high | 96.8 | Very high | 124 Ų | 124 | 67.8 Ų | 67.8 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 174.2 | -172.8 | 176.5 | 68.8 | 175.3 | 0 | 111.5 | Q83 V84 W85 R90 A91 | Q83-K87 PolarHBondContact O-N 3.07Å; V84-K87 PolarHBondContact O-N 3.13Å; W85-K87 VanDerWaalsContact C-N 3.33Å; W85-K87 PolarHBondContact O-N 2.88Å; K87-R90 PolarHBondContact O-N 2.91Å; K87-A91 PolarHBondContact O-N 3.48Å |
| 88 | N | 98.1 | Very high | 96.5 | Very high | 98 Ų | 98 | 72.2 Ų | 72.2 | 52% | 0.524 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 179.2 | -70.8 | -10.5 | 0 | 0 | 0 | 111.7 | V84 W85 A91 K92 | V84-N88 PolarHBondContact O-N 2.89Å; W85-N88 PolarHBondContact O-N 3.31Å; N88-A91 WeakPolarHBondContact O-CB 3.22Å; N88-A91 PolarHBondContact O-N 3.27Å; N88-K92 PolarHBondContact O-N 3.39Å |
| 89 | R | 98.2 | Very high | 96.1 | Very high | 75 Ų | 75 | 75.8 Ų | 75.8 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 177.3 | -175.2 | 65.9 | -169.7 | -176.2 | 3.1 | 111.5 | E54 F57 W85 F86 K92 C93 | E54-R89 IonicContact OE1-CZ 3.08Å; E54-R89 IonicContact OE1-NH1 3.37Å; E54-R89 PolarHBondContact OE1-NH1 2.85Å; F57-R89 HydrophobicContact CD1-CG 4.12Å; F57-R89 HydrophobicContact CD2-CB 4.27Å; F57-R89 HydrophobicContact CD2-CG 3.56Å; F57-R89 HydrophobicContact CE1-CG 4Å; F57-R89 HydrophobicContact CE2-CB 4.08Å; F57-R89 HydrophobicContact CE2-CG 3.44Å; F57-R89 VanDerWaalsContact CE2-CG 3.44Å; F57-R89 HydrophobicContact CG-CG 3.9Å; F57-R89 HydrophobicContact CZ-CG 3.67Å; W85-R89 HydrophobicContact CE3-CB 4.17Å; W85-R89 HydrophobicContact CH2-CB 4.16Å; W85-R89 HydrophobicContact CH2-CG 3.85Å; W85-R89 HydrophobicContact CZ2-CG 4.4Å; W85-R89 HydrophobicContact CZ3-CB 3.97Å; W85-R89 HydrophobicContact CZ3-CG 4.01Å; W85-R89 WeakPolarHBondContact O-CB 3.5Å; W85-R89 PolarHBondContact O-N 3.2Å; F86-R89 PolarHBondContact O-N 2.97Å; R89-K92 PolarHBondContact O-N 3.21Å; R89-C93 PolarHBondContact O-N 3.22Å |
| 90 | R | 98.2 | Very high | 95.5 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 20% | 0.204 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 172.7 | -71.8 | -165.8 | -62.4 | -92.5 | 4.7 | 112.3 | F57 R61 Y62 F86 K87 C93 R94 | F57-R90 HydrophobicContact CE2-CG 4.02Å; R61-R90 WeakPolarHBondContact O-CD 3.42Å; R61-R90 PolarHBondContact O-NH1 3.46Å; Y62-R90 VanDerWaalsContact CZ-CD 3.41Å; F86-R90 WeakPolarHBondContact O-CG 3.47Å; F86-R90 PolarHBondContact O-N 2.8Å; K87-R90 PolarHBondContact O-N 2.91Å; R90-C93 PolarHBondContact O-N 2.95Å; R90-R94 PolarHBondContact O-N 3.42Å |
| 91 | A | 98 | Very high | 94.7 | Very high | 25 Ų | 25 | 83.6 Ų | 83.6 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K87 N88 C93 R94 Q95 | K87-A91 PolarHBondContact O-N 3.48Å; N88-A91 WeakPolarHBondContact O-CB 3.22Å; N88-A91 PolarHBondContact O-N 3.27Å; A91-C93 VanDerWaalsContact C-N 3.34Å; A91-C93 PolarHBondContact O-N 3.49Å; A91-R94 PolarHBondContact O-N 2.92Å; A91-Q95 WeakPolarHBondContact O-CG 3.31Å; A91-Q95 PolarHBondContact O-N 2.91Å |
| 92 | K | 97.3 | Very high | 93.4 | Very high | 129 Ų | 129 | 87.9 Ų | 87.9 | 56% | 0.561 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 176.2 | -172.4 | 177.7 | 179.5 | -178.7 | 0 | 112.1 | N88 R89 Q95 Q96 | N88-K92 PolarHBondContact O-N 3.39Å; R89-K92 PolarHBondContact O-N 3.21Å; K92-Q95 PolarHBondContact O-N 3.49Å; K92-Q96 PolarHBondContact O-N 2.92Å |
| 93 | C | 95.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 90.7 Ų | 90.7 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | R89 R90 A91 Q95 Q96 Q97 | R89-C93 PolarHBondContact O-N 3.22Å; R90-C93 PolarHBondContact O-N 2.95Å; A91-C93 VanDerWaalsContact C-N 3.34Å; A91-C93 PolarHBondContact O-N 3.49Å; C93-Q95 PolarHBondContact O-N 3.03Å; C93-Q96 PolarHBondContact O-N 2.91Å; C93-Q97 PolarHBondContact O-N 2.89Å; C93-Q97 VanDerWaalsContact O-N 3.09Å |
| 94 | R | 96.1 | Very high | 89.8 | Confident | 133 Ų | 133 | 89.5 Ų | 89.5 | 50% | 0.502 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 174.5 | -68.2 | -165.1 | -56 | -86.6 | 1.6 | 113.2 | R90 A91 Q98 | R90-R94 PolarHBondContact O-N 3.42Å; A91-R94 PolarHBondContact O-N 2.92Å; R94-Q98 WeakPolarHBondContact O-CG 3.49Å; R94-Q98 PolarHBondContact O-N 3.42Å; R94-Q98 VanDerWaalsContact O-N 3.1Å; R94-Q98 PolarHBondContact O-NE2 2.84Å |
| 95 | Q | 93.9 | Very high | 87.9 | Confident | 126 Ų | 126 | 94.6 Ų | 94.6 | 59% | 0.589 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 175.9 | -72.7 | 171.6 | 13 | 0 | 0 | 111.3 | A91 K92 C93 Q97 Q98 Q99 | A91-Q95 WeakPolarHBondContact O-CG 3.31Å; A91-Q95 PolarHBondContact O-N 2.91Å; K92-Q95 PolarHBondContact O-N 3.49Å; C93-Q95 PolarHBondContact O-N 3.03Å; Q95-Q97 PolarHBondContact O-N 3.03Å; Q95-Q98 PolarHBondContact O-N 2.83Å; Q95-Q99 WeakPolarHBondContact O-CB 3.29Å; Q95-Q99 PolarHBondContact O-N 3.03Å |
| 96 | Q | 92.4 | Very high | 85.3 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.1 | -171.6 | 176.4 | 16.6 | 0 | 0 | 111.7 | K92 C93 Q99 Q100 | K92-Q96 PolarHBondContact O-N 2.92Å; C93-Q96 PolarHBondContact O-N 2.91Å; Q96-Q99 PolarHBondContact O-N 3.06Å; Q96-Q100 WeakPolarHBondContact O-CG 3.32Å; Q96-Q100 PolarHBondContact O-N 3.17Å |
| 97 | Q | 90.6 | Very high | 83.1 | Confident | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -42.8 | 176.8 | -169.2 | 178.3 | 23 | 0 | 0 | 112.4 | C93 Q95 Q99 Q100 Q101 | C93-Q97 PolarHBondContact O-N 2.89Å; C93-Q97 VanDerWaalsContact O-N 3.09Å; Q95-Q97 PolarHBondContact O-N 3.03Å; Q97-Q99 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 2.82Å; Q97-Q100 PolarHBondContact O-N 2.79Å; Q97-Q101 WeakPolarHBondContact O-CG 3.48Å; Q97-Q101 PolarHBondContact O-N 2.98Å |
| 98 | Q | 90.1 | Very high | 81 | Confident | 119 Ų | 119 | 110 Ų | 110 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -39.1 | 175.2 | -74.8 | 168.2 | 95 | 0 | 0 | 112 | R94 Q95 Q100 Q101 N102 | R94-Q98 WeakPolarHBondContact O-CG 3.49Å; R94-Q98 PolarHBondContact O-N 3.42Å; R94-Q98 VanDerWaalsContact O-N 3.1Å; R94-Q98 PolarHBondContact O-NE2 2.84Å; Q95-Q98 PolarHBondContact O-N 2.83Å; Q98-Q100 VanDerWaalsContact C-N 3.3Å; Q98-Q100 PolarHBondContact O-N 2.87Å; Q98-Q101 PolarHBondContact O-N 2.97Å; Q98-N102 PolarHBondContact O-N 3.44Å |
| 99 | Q | 88.2 | Confident | 79.1 | Confident | 150 Ų | 150 | 116 Ų | 116 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.2 | -32.3 | 177.5 | -169 | 170.5 | 21.1 | 0 | 0 | 112.3 | Q95 Q96 Q97 G103 | Q95-Q99 WeakPolarHBondContact O-CB 3.29Å; Q95-Q99 PolarHBondContact O-N 3.03Å; Q96-Q99 PolarHBondContact O-N 3.06Å; Q97-Q99 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 2.82Å; Q99-G103 WeakPolarHBondContact O-CA 3.27Å; Q99-G103 PolarHBondContact O-N 2.94Å |
| 100 | Q | 85.8 | Confident | 76.9 | Confident | 96 Ų | 96 | 117.5 Ų | 117.5 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70 | -41.2 | 173.1 | -71.3 | 172.9 | 18.5 | 0 | 0 | 111.8 | Q96 Q97 Q98 G103 C274 | Q96-Q100 WeakPolarHBondContact O-CG 3.32Å; Q96-Q100 PolarHBondContact O-N 3.17Å; Q97-Q100 PolarHBondContact O-N 2.79Å; Q98-Q100 VanDerWaalsContact C-N 3.3Å; Q98-Q100 PolarHBondContact O-N 2.87Å; Q100-G103 PolarHBondContact O-N 3.25Å; Q100-C274 PolarHBondContact OE1-SG 3.45Å |
| 101 | Q | 80.3 | Confident | 75 | Confident | 144 Ų | 144 | 118.5 Ų | 118.5 | 67% | 0.673 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.4 | -38.7 | 178 | -69.6 | -178.8 | 21.5 | 0 | 0 | 112.9 | Q97 Q98 G103 | Q97-Q101 WeakPolarHBondContact O-CG 3.48Å; Q97-Q101 PolarHBondContact O-N 2.98Å; Q98-Q101 PolarHBondContact O-N 2.97Å; Q101-G103 VanDerWaalsContact C-N 3.35Å |
| 102 | N | 70.7 | Confident | 72.7 | Confident | 127 Ų | 127 | 127.4 Ų | 127.4 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -85.6 | -4.8 | 176.2 | -89 | 57.1 | 0 | 0 | 0 | 113.9 | Q98 G104 | Q98-N102 PolarHBondContact O-N 3.44Å; N102-G104 VanDerWaalsContact C-N 3.28Å; N102-G104 PolarHBondContact O-N 3.07Å |
| 103 | G | 61.8 | Low | 70.8 | Confident | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -75.8 | -7.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q99 Q100 Q101 Q105 | Q99-G103 WeakPolarHBondContact O-CA 3.27Å; Q99-G103 PolarHBondContact O-N 2.94Å; Q100-G103 PolarHBondContact O-N 3.25Å; Q101-G103 VanDerWaalsContact C-N 3.35Å; G103-Q105 VanDerWaalsContact C-N 3.29Å; G103-Q105 PolarHBondContact O-N 3.14Å |
| 104 | G | 57.4 | Low | 68.8 | Low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -79.5 | -4.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N102 | N102-G104 VanDerWaalsContact C-N 3.28Å; N102-G104 PolarHBondContact O-N 3.07Å |
| 105 | Q | 57.9 | Low | 66.8 | Low | 166 Ų | 166 | 136.7 Ų | 136.7 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -125.5 | 93 | -176.2 | -55.8 | -173.1 | -13.4 | 0 | 0 | 110.4 | G103 K107 | G103-Q105 VanDerWaalsContact C-N 3.29Å; G103-Q105 PolarHBondContact O-N 3.14Å; Q105-K107 PolarHBondContact O-N 3.19Å |
| 106 | N | 44.5 | Very low | 64.8 | Low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | 14 | 100.7 | 144.8 | -87.9 | -45.2 | 0 | 0 | 0 | 116 | ||||
| 107 | K | 51.6 | Low | 62.7 | Low | 204 Ų | 204 | 136.5 Ų | 136.5 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | -144.9 | 93.2 | 120.9 | -72.8 | -141.9 | -179.9 | -150.7 | 0 | 108.7 | Q105 R109 | Q105-K107 PolarHBondContact O-N 3.19Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.09Å | |||
| 108 | V | 55.7 | Low | 60.9 | Low | 126 Ų | 126 | 136.1 Ų | 136.1 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -42.2 | 105.4 | 151.5 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | P110 | V108-P110 WeakPolarHBondContact O-CD 3.36Å; V108-P110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | R | 57.9 | Low | 59.1 | Low | 222 Ų | 222 | 142.4 Ų | 142.4 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -55.9 | 120.8 | 167.8 | -165 | 174.5 | 92.2 | -160.5 | 8 | 104.8 | K107 A111 | K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.09Å; R109-A111 PolarHBondContact O-N 3.02Å | ||
| 110 | P | 51.5 | Low | 57 | Low | 108 Ų | 108 | 143.5 Ų | 143.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -63.3 | 107.8 | 178 | 24.4 | -29.3 | 0 | 0 | 0 | 106.1 | V108 K112 | V108-P110 WeakPolarHBondContact O-CD 3.36Å; V108-P110 VanDerWaalsContact O-N 3.15Å; P110-K112 PolarHBondContact O-N 3.46Å | ||
| 111 | A | 57.7 | Low | 55.6 | Low | 75 Ų | 75 | 145.7 Ų | 145.7 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 110.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 104.6 | R109 K113 | R109-A111 PolarHBondContact O-N 3.02Å; A111-K113 HydrophobicContact CB-CG 4.44Å; A111-K113 PolarHBondContact O-N 3.41Å | ||
| 112 | K | 50.8 | Low | 53.9 | Low | 212 Ų | 212 | 144.2 Ų | 144.2 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 78.3 | 165.8 | -74.6 | -174.1 | 173.2 | -179.1 | 0 | 107.1 | P110 K114 | P110-K112 PolarHBondContact O-N 3.46Å; K112-K114 PolarHBondContact O-N 2.79Å | ||
| 113 | K | 56.3 | Low | 52.7 | Low | 178 Ų | 178 | 144 Ų | 144 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 104.1 | 162.7 | -75 | -167.8 | 176.5 | -174.7 | 0 | 105.5 | A111 T115 | A111-K113 HydrophobicContact CB-CG 4.44Å; A111-K113 PolarHBondContact O-N 3.41Å; K113-T115 PolarHBondContact O-N 3.24Å | ||
| 114 | K | 53.7 | Low | 52.3 | Low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 83 | 163.9 | -174.9 | 179.2 | 177.5 | -176.9 | 0 | 106.9 | K112 | K112-K114 PolarHBondContact O-N 2.79Š| ||
| 115 | T | 54.3 | Low | 51.8 | Low | 119 Ų | 119 | 152.3 Ų | 152.3 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -95.6 | 109.9 | 171.5 | -67.4 | 0 | 0 | 0 | 0 | 107.4 | K113 | K113-T115 PolarHBondContact O-N 3.24Š| ||
| 116 | S | 52.6 | Low | 51.4 | Low | 100 Ų | 100 | 147.7 Ų | 147.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -67.6 | 142.8 | 164.7 | -59 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 117 | P | 47.4 | Very low | 51.6 | Low | 130 Ų | 130 | 147.4 Ų | 147.4 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -89.9 | 130.8 | -173.3 | 33.6 | -29.7 | 0 | 0 | 0 | 111.2 | ||||
| 118 | A | 52.4 | Low | 51.4 | Low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -156.2 | 110.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | R | 53.3 | Low | 51 | Low | 251 Ų | 251 | 141.4 Ų | 141.4 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | 76.7 | 105.5 | 135.5 | -128.5 | 172.4 | -171.6 | 174.7 | 1 | 119.9 | ||||
| 120 | E | 43.4 | Very low | 50.5 | Low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -53.1 | 138.7 | 159.8 | -57.7 | -91.7 | 123.5 | 0 | 0 | 113 | ||||
| 121 | V | 55.6 | Low | 50.2 | Low | 141 Ų | 141 | 143 Ų | 143 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -163.3 | 117.6 | 134.2 | 160.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 122 | S | 46.2 | Very low | 49.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -76 | 146.6 | 176.4 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 123 | S | 45.1 | Very low | 50.1 | Low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | trans | -93.3 | 149.6 | 176.4 | -54 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 124 | E | 53.2 | Low | 50.1 | Low | 182 Ų | 182 | 137.1 Ų | 137.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -139 | 115.4 | 156.2 | 54.6 | -178.3 | 97 | 0 | 0 | 106 | ||||
| 125 | S | 47.6 | Very low | 49.6 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | 109.1 | 127.5 | 72 | -81 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 126 | G | 48 | Very low | 49.6 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 137.2 | 92.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 127 | T | 49.1 | Very low | 49.4 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | 104.9 | 114.1 | 83 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 128 | S | 46.9 | Very low | 49.4 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 29.5 | 130.6 | 150.9 | -65.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 129 | G | 48.2 | Very low | 49.4 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -171.3 | 123.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 130 | Q | 46.7 | Very low | 49.1 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -70.3 | 156 | -176 | -68.5 | 152.3 | 3.2 | 0 | 0 | 113.4 | ||||
| 131 | F | 45.8 | Very low | 49.2 | Very low | 191 Ų | 191 | 127 Ų | 127 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | 163.7 | 145.8 | 122.8 | -100.5 | -92.2 | 0 | 0 | 0 | 112.3 | |||||
| 132 | T | 50.6 | Low | 48.5 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -88.4 | -166.5 | -170.5 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 133 | P | 56 | Low | 48.6 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | cis | -131.7 | -132.2 | -37.6 | 27 | -0.7 | 0 | 0 | 0 | 111.9 | ||||
| 134 | P | 56.3 | Low | 48.8 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | -125.7 | -179.7 | -99.1 | 42 | -23.7 | 0 | 0 | 0 | 116.8 | |||||
| 135 | S | 43.6 | Very low | 48.5 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 55.4 | 121.5 | 147.6 | -62.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 136 | S | 53.5 | Low | 48.7 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | 157.6 | 115 | 127.4 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 137 | T | 48.6 | Very low | 49.2 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 86.1 | 120.2 | 96.3 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 138 | S | 48.2 | Very low | 49.8 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 125.5 | 139.3 | 144 | 71 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 139 | V | 51.3 | Low | 50.4 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -92 | -163 | -164.4 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 140 | P | 47.5 | Very low | 50.8 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -117.6 | 159.3 | -92 | 36.6 | -19.1 | 0 | 0 | 0 | 113.1 | |||||
| 141 | T | 45.2 | Very low | 51.6 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -147.4 | 130.8 | 167.3 | -30.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 142 | I | 41.4 | Very low | 52.1 | Low | 166 Ų | 166 | 126.7 Ų | 126.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -73.9 | 128.8 | 174 | -63.3 | 161.1 | 0 | 0 | 0 | 109.5 | ||||
| 143 | A | 47.2 | Very low | 52.2 | Low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -176.3 | 107.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 144 | S | 49.1 | Very low | 51.7 | Low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 96.9 | 134.9 | 84 | -77.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 145 | S | 47.8 | Very low | 51.4 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 72.6 | 90.6 | 159.6 | 63.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 146 | S | 52.7 | Low | 51.6 | Low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -129.8 | 108.1 | 140.1 | 54.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 147 | A | 58.4 | Low | 51.5 | Low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 148 | P | 61.5 | Low | 51.5 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 119 | 165.8 | 30.9 | -27.2 | 0 | 0 | 0 | 109.2 | S150 | P148-S150 PolarHBondContact O-N 3.48Š|
| 149 | V | 58.1 | Low | 51.3 | Low | 130 Ų | 130 | 126.8 Ų | 126.8 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -50 | 127.9 | 171.7 | -71.1 | 0 | 0 | 0 | 0 | 111.3 | I151 | V149-I151 PolarHBondContact O-N 2.98Š|
| 150 | S | 57.5 | Low | 51.2 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73 | 119.3 | 177.1 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | P148 W152 | P148-S150 PolarHBondContact O-N 3.48Å; S150-W152 PolarHBondContact O-N 2.69Å |
| 151 | I | 64 | Low | 51.1 | Low | 167 Ų | 167 | 127.9 Ų | 127.9 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -81.9 | 3.7 | 179.7 | -68 | 165 | 0 | 0 | 0 | 111.8 | V149 | V149-I151 PolarHBondContact O-N 2.98Š|
| 152 | W | 55.9 | Low | 50.8 | Low | 229 Ų | 229 | 128.3 Ų | 128.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -135.7 | 77.6 | -169 | -156.9 | -66.1 | 0 | 0 | 0 | 112.5 | S150 | S150-W152 PolarHBondContact O-N 2.69Š| ||
| 153 | S | 52.3 | Low | 51.1 | Low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -134.9 | 115.1 | 161.1 | -68.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 154 | P | 46.5 | Very low | 51.1 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -88.3 | 141.1 | 168.1 | 33.9 | -26.9 | 0 | 0 | 0 | 110.2 | ||||
| 155 | A | 48.1 | Very low | 51 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 73.7 | 138 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 156 | S | 47.9 | Very low | 51 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -151.2 | 173.2 | 16.5 | -75.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 157 | I | 52.7 | Low | 50.7 | Low | 160 Ų | 160 | 128 Ų | 128 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | trans | 131 | 104.3 | 149 | -58.5 | 152.6 | 0 | 0 | 0 | 112.9 | ||||
| 158 | S | 47.1 | Very low | 50.2 | Low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 82.3 | 121.5 | 146.3 | -61.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 159 | P | 45.7 | Very low | 49.5 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -93.3 | 124.4 | 176.3 | 35.6 | -27.1 | 0 | 0 | 0 | 110.7 | ||||
| 160 | L | 48.4 | Very low | 49.7 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -142.7 | 102.7 | 164 | -74 | 173.6 | 0 | 0 | 0 | 109.6 | ||||
| 161 | S | 46.1 | Very low | 49.7 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 35.9 | 107.3 | 143 | -41 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 162 | D | 38.3 | Very low | 49 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | 16.8 | 164.1 | 126.7 | -81.8 | -56.6 | 0 | 0 | 0 | 121.6 | |||||
| 163 | P | 47.2 | Very low | 48.6 | Very low | 102 Ų | 102 | 130 Ų | 130 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -142.3 | 179.3 | 14.6 | 21.6 | 6.4 | 0 | 0 | 0 | 116.8 | ||||
| 164 | L | 48.1 | Very low | 48.2 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 94.4 | 104.9 | 153.5 | -64.1 | 127.1 | 0 | 0 | 0 | 119.5 | ||||
| 165 | S | 47.2 | Very low | 48.1 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 70.2 | 103.9 | 123.6 | -54.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 166 | T | 48.2 | Very low | 48.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | 173.1 | 105.8 | 104.7 | -65.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 167 | S | 44.9 | Very low | 49.2 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -72.3 | 121.4 | 165.5 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 168 | S | 48.2 | Very low | 49.1 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -135.8 | 91.9 | 167.1 | 59 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 169 | S | 47.8 | Very low | 49.2 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -53.8 | 133.6 | 166.3 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 170 | C | 61.4 | Low | 49.5 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -95.6 | 24.3 | -169.4 | 56.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 171 | M | 57.1 | Low | 49.3 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -110.5 | 19.1 | -174.2 | -69.6 | -158.9 | 73.4 | 0 | 0 | 116.9 | ||||
| 172 | Q | 50.1 | Low | 49.2 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -107 | 96.4 | 175.9 | -67.1 | -177.3 | 4.9 | 0 | 0 | 111.7 | ||||
| 173 | R | 46.5 | Very low | 49.5 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -157.1 | 89.6 | 150.4 | -104.2 | -178.8 | -156.6 | -71.9 | 1.1 | 108.3 | Y175 | R173-Y175 HydrophobicContact CB-CE2 4.12Å; R173-Y175 WeakPolarHBondContact CD-OH 3.38Å; R173-Y175 HydrophobicContact CG-CE2 3.95Å; R173-Y175 PolarHBondContact NH1-OH 3.34Å | ||
| 174 | S | 43.7 | Very low | 49.5 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -90.6 | 126.7 | 158.6 | -59.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 175 | Y | 46.1 | Very low | 49.2 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 65% | 0.651 | 79% | 0.793 | S | S | * | * | trans | -122 | 132.1 | 160.3 | -52.7 | -86.4 | 0 | 0 | 0 | 107.4 | R173 | R173-Y175 HydrophobicContact CB-CE2 4.12Å; R173-Y175 WeakPolarHBondContact CD-OH 3.38Å; R173-Y175 HydrophobicContact CG-CE2 3.95Å; R173-Y175 PolarHBondContact NH1-OH 3.34Å | ||
| 176 | P | 57.2 | Low | 48.9 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | trans | -83.2 | 132.8 | 170.1 | 32.7 | -28.1 | 0 | 0 | 0 | 108.9 | ||||
| 177 | M | 61.1 | Low | 48.8 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 122 | 169.3 | -163.8 | 55.3 | -171.2 | 0 | 0 | 109.7 | ||||
| 178 | T | 51.5 | Low | 48.7 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | trans | -76 | 139.9 | 177.8 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 179 | Y | 48.5 | Very low | 48.6 | Very low | 217 Ų | 217 | 144.8 Ų | 144.8 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -125.9 | 121.6 | 165.2 | -163.5 | -92.2 | 0 | 0 | 0 | 108.1 | ||||
| 180 | T | 52.2 | Low | 48.3 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | trans | -106.2 | 159.7 | -179.3 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 181 | Q | 44.7 | Very low | 47.6 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 81.5 | 133.6 | 164.2 | -45.8 | -91.7 | 80.1 | 0 | 0 | 114.5 | ||||
| 182 | A | 43.8 | Very low | 47.1 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | cis | -163.1 | 161.6 | 3.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 183 | S | 45.1 | Very low | 46.7 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 153.9 | 176.8 | -65.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 184 | G | 45.6 | Very low | 46.6 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | 170.5 | 91.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 185 | Y | 42.1 | Very low | 46.8 | Very low | 235 Ų | 235 | 133.4 Ų | 133.4 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | trans | 77.1 | 139.1 | 147.8 | -119.9 | -100.6 | 0 | 0 | 0 | 122 | ||||
| 186 | S | 41.8 | Very low | 46.8 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -103.2 | -176.5 | -172.2 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 187 | Q | 46 | Very low | 46.1 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | 102.4 | 122.8 | 178.2 | -58.7 | -73.3 | -3.6 | 0 | 0 | 112.5 | ||||
| 188 | G | 41.7 | Very low | 45.2 | Very low | 56 Ų | 56 | 127.7 Ų | 127.7 | 58% | 0.577 | 76% | 0.757 | S | S | * | * | cis | 130.8 | 139.3 | 14.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 189 | Y | 46 | Very low | 45.3 | Very low | 215 Ų | 215 | 131.5 Ų | 131.5 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 82.6 | 102.5 | 175.5 | -49.2 | -77.1 | 0 | 0 | 0 | 116 | ||||
| 190 | A | 43.2 | Very low | 45.2 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | 68.8 | 112.1 | 62.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 191 | G | 45.5 | Very low | 44.9 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 175.5 | 87.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 192 | S | 46.7 | Very low | 44.9 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 45.7 | 112 | 138 | -51.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 193 | T | 42.7 | Very low | 44.9 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | 157 | 143.1 | 87.6 | -159.8 | 0 | 0 | 0 | 0 | 114 | Y195 | T193-Y195 HydrophobicContact CG2-CD2 4.2Å; T193-Y195 HydrophobicContact CG2-CE2 3.31Å; T193-Y195 WeakPolarHBondContact OG1-CE1 3.3Å; T193-Y195 VanDerWaalsContact OG1-CE2 3.27Å; T193-Y195 WeakPolarHBondContact OG1-CE2 3.47Å; T193-Y195 PolarHBondContact OG1-OH 2.91Å | |||
| 194 | S | 43.8 | Very low | 45.1 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -115.2 | 123.3 | -175.2 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 195 | Y | 48.2 | Very low | 45.5 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 73% | 0.725 | 76% | 0.764 | S | S | * | * | trans | -153.6 | 129.6 | 160.1 | -28.8 | -87.6 | 0 | 0 | 0 | 111.2 | T193 | T193-Y195 HydrophobicContact CG2-CD2 4.2Å; T193-Y195 HydrophobicContact CG2-CE2 3.31Å; T193-Y195 WeakPolarHBondContact OG1-CE1 3.3Å; T193-Y195 VanDerWaalsContact OG1-CE2 3.27Å; T193-Y195 WeakPolarHBondContact OG1-CE2 3.47Å; T193-Y195 PolarHBondContact OG1-OH 2.91Å | ||
| 196 | F | 44.8 | Very low | 45.8 | Very low | 222 Ų | 222 | 127.7 Ų | 127.7 | 97% | 0.974 | 76% | 0.761 | S | S | * | * | trans | 66.5 | 133.6 | 153.7 | -113.7 | -103.6 | 0 | 0 | 0 | 117.4 | ||||
| 197 | G | 43.7 | Very low | 46.5 | Very low | 59 Ų | 59 | 127.9 Ų | 127.9 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | 174.6 | 152.1 | 8.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 198 | G | 41 | Very low | 47.2 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -60.5 | 146.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 199 | M | 53.7 | Low | 47.6 | Very low | 184 Ų | 184 | 133 Ų | 133 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -131.7 | 86.1 | 161.8 | -80.7 | -172.2 | 148 | 0 | 0 | 108.3 | ||||
| 200 | D | 46.2 | Very low | 47.8 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -60 | 126.3 | 132 | 52.4 | -68.9 | 0 | 0 | 0 | 108.4 | ||||
| 201 | C | 47.7 | Very low | 47.8 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 72% | 0.716 | 76% | 0.763 | S | S | * | * | trans | -125.6 | 83.1 | 169.7 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 202 | G | 44.3 | Very low | 48.1 | Very low | 60 Ų | 60 | 138.4 Ų | 138.4 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | -90.9 | 143.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 203 | S | 44 | Very low | 48.2 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 72.9 | 83.1 | 163.2 | -51.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 204 | Y | 48 | Very low | 48.6 | Very low | 221 Ų | 221 | 137.7 Ų | 137.7 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -114.7 | 109.1 | 137.8 | -82 | -84.3 | 0 | 0 | 0 | 109.6 | ||||
| 205 | L | 54 | Low | 48.9 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -46.7 | 131.9 | 172.7 | -64.5 | 153 | 0 | 0 | 0 | 112 | ||||
| 206 | T | 48.6 | Very low | 49 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -142.6 | 96.1 | 137.2 | 37.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 207 | P | 56.3 | Low | 49.2 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 118.2 | 151.7 | -8.8 | 27.5 | 0 | 0 | 0 | 109.1 | H209 | P207-H209 PolarHBondContact O-N 3.1Š|
| 208 | M | 60.4 | Low | 49.6 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.8 | 168.9 | -87 | -74.4 | 168.6 | 0 | 0 | 109.7 | ||
| 209 | H | 50.3 | Low | 50.4 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 119.4 | 177 | 171.4 | -112.1 | 0 | 0 | 0 | 109.3 | P207 Q211 | P207-H209 PolarHBondContact O-N 3.1Å; H209-Q211 WeakPolarHBondContact CE1-CG 3.39Å; H209-Q211 VanDerWaalsContact NE2-CD 3.34Å; H209-Q211 WeakPolarHBondContact NE2-CG 3.27Å; H209-Q211 PolarHBondContact NE2-NE2 3.27Å |
| 210 | H | 50 | Low | 50.3 | Low | 186 Ų | 186 | 130.7 Ų | 130.7 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -127.3 | 110.8 | 153 | -86 | -65.4 | 0 | 0 | 0 | 108.1 | ||||
| 211 | Q | 43 | Very low | 50.6 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 140.9 | 169.8 | -56 | -157.5 | -49.1 | 0 | 0 | 110.1 | H209 | H209-Q211 WeakPolarHBondContact CE1-CG 3.39Å; H209-Q211 VanDerWaalsContact NE2-CD 3.34Å; H209-Q211 WeakPolarHBondContact NE2-CG 3.27Å; H209-Q211 PolarHBondContact NE2-NE2 3.27Å | ||
| 212 | L | 52.4 | Low | 51 | Low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -171.8 | 119 | 141.5 | -97.8 | 146.4 | 0 | 0 | 0 | 107.5 | ||||
| 213 | P | 50.2 | Low | 51.4 | Low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -99.1 | 145.7 | 171.8 | 34.5 | -26.5 | 0 | 0 | 0 | 111.1 | ||||
| 214 | G | 50.6 | Low | 51.9 | Low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 163.5 | 114.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 215 | P | 50.6 | Low | 51.9 | Low | 138 Ų | 138 | 131 Ų | 131 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -95.8 | 151.4 | 175.3 | 36.4 | -28.9 | 0 | 0 | 0 | 111.3 | ||||
| 216 | G | 50.1 | Low | 51.6 | Low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 140.6 | 131 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 217 | A | 47.8 | Very low | 52.3 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 68.2 | 142.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 218 | T | 52.9 | Low | 51.9 | Low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | 177.7 | 146 | -7.1 | 33.1 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 219 | L | 57.3 | Low | 51.6 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 83.4 | 116.5 | 149.6 | -60.5 | 155.2 | 0 | 0 | 0 | 120.9 | ||||
| 220 | S | 52.5 | Low | 51.6 | Low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 85.3 | 122.1 | 128.1 | -56.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 221 | P | 51.7 | Low | 51.9 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -100 | 146.2 | 156.4 | 36.3 | -26.1 | 0 | 0 | 0 | 111.2 | ||||
| 222 | M | 57.1 | Low | 52.1 | Low | 192 Ų | 192 | 124.7 Ų | 124.7 | 95% | 0.946 | 79% | 0.788 | S | S | * | * | trans | 167.8 | 140.2 | 144 | -179.3 | 140.1 | 62.9 | 0 | 0 | 112.5 | ||||
| 223 | G | 50.9 | Low | 52 | Low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | 98.4 | 142.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | T | 55.2 | Low | 52.1 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | -168.3 | 153.4 | -0.6 | 41.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 225 | N | 47.5 | Very low | 52.3 | Low | 155 Ų | 155 | 127.2 Ų | 127.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | 163.9 | 102.9 | 125.1 | -82.4 | -4.2 | 0 | 0 | 0 | 110.6 | |||||
| 226 | A | 49.3 | Very low | 52.5 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -92.3 | 131.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 227 | V | 62.8 | Low | 52.3 | Low | 145 Ų | 145 | 127.4 Ų | 127.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -137.8 | 132.9 | 148.9 | -70.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 228 | T | 47 | Very low | 52.3 | Low | 111 Ų | 111 | 131.4 Ų | 131.4 | 68% | 0.681 | 80% | 0.795 | S | S | * | * | trans | -89.9 | 140.3 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | H230 | T228-H230 PolarHBondContact OG1-ND1 3.46Š| ||
| 229 | S | 55.6 | Low | 51.9 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -148 | 100.1 | 157.9 | 6.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 230 | H | 50.3 | Low | 51.4 | Low | 136 Ų | 136 | 129.2 Ų | 129.2 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | trans | -97.6 | 146.2 | 168.1 | 45.8 | -84.3 | 0 | 0 | 0 | 108.1 | T228 | T228-H230 PolarHBondContact OG1-ND1 3.46Š| ||
| 231 | L | 56 | Low | 51.1 | Low | 152 Ų | 152 | 131.8 Ų | 131.8 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | 142.4 | 91.5 | 166.5 | -82.1 | 150.6 | 0 | 0 | 0 | 106.4 | ||||
| 232 | N | 46.2 | Very low | 50.7 | Low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 49.7 | 95.4 | 67.1 | -147.4 | 43.9 | 0 | 0 | 0 | 114 | |||||
| 233 | Q | 51.6 | Low | 50.2 | Low | 187 Ų | 187 | 129 Ų | 129 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -162.4 | 135.3 | 144.9 | -113 | 162.2 | 92.4 | 0 | 0 | 112.4 | ||||
| 234 | S | 51.8 | Low | 49.9 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -71.1 | 167.8 | -167.7 | -56.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 235 | P | 55.2 | Low | 49.1 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -86.6 | 140.2 | 173.1 | 35 | -30.1 | 0 | 0 | 0 | 111 | ||||
| 236 | A | 53.1 | Low | 49.2 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -134.7 | 116.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 237 | S | 47 | Very low | 48.9 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -57.1 | 134.5 | 165.4 | 41 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 238 | L | 48.1 | Very low | 48.2 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -138.9 | 139.4 | 157.1 | -86.6 | 164.6 | 0 | 0 | 0 | 110.5 | ||||
| 239 | S | 44.8 | Very low | 47.9 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -99 | 150.3 | -160.7 | 43.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 240 | T | 45.2 | Very low | 47.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 51 | 114.4 | 136.7 | -38.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 241 | Q | 47.3 | Very low | 46.8 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | 162.4 | 138.6 | 117 | -87.3 | -161.2 | -7.2 | 0 | 0 | 110 | Y243 | Q241-Y243 PolarHBondContact NE2-OH 3.23Å; Q241-Y243 PolarHBondContact OE1-OH 3.41Å | |||
| 242 | G | 43 | Very low | 45.9 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 161.3 | 82.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 243 | Y | 46.5 | Very low | 45.7 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -55 | 150.5 | 179.5 | -39.8 | -87.8 | 0 | 0 | 0 | 115.3 | Q241 | Q241-Y243 PolarHBondContact NE2-OH 3.23Å; Q241-Y243 PolarHBondContact OE1-OH 3.41Å | ||
| 244 | G | 45 | Very low | 45.2 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 165.2 | 79.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 245 | A | 38.4 | Very low | 44.8 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -104.5 | 124.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 246 | S | 49.4 | Very low | 43.7 | Very low | 112 Ų | 112 | 127 Ų | 127 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -162.9 | 97.9 | 166.1 | -66.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 247 | S | 42 | Very low | 43.4 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | 82.1 | 155.4 | 100.6 | 72.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 248 | L | 49.1 | Very low | 42.9 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | trans | 87.4 | 110 | -166.6 | -45.6 | -179.7 | 0 | 0 | 0 | 112.6 | ||||
| 249 | G | 40.1 | Very low | 42.7 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | cis | 124.4 | 102 | 14.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 250 | F | 43.5 | Very low | 42.5 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 91% | 0.912 | 79% | 0.794 | S | S | * | * | trans | -156.1 | 123.4 | 151.8 | -164.6 | -100.2 | 0 | 0 | 0 | 111.3 | ||||
| 251 | N | 41 | Very low | 42.3 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 67% | 0.674 | 79% | 0.787 | S | S | * | * | trans | -73.9 | 143 | -174.6 | -90.5 | 6.2 | 0 | 0 | 0 | 113.1 | ||||
| 252 | S | 35.1 | Very low | 42.1 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 118.9 | 147.7 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 253 | T | 43.7 | Very low | 41.7 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -154.9 | 119.1 | 157.2 | 13 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 254 | T | 39.8 | Very low | 41.3 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -36.7 | 126.4 | 156.2 | 42.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 255 | D | 43.3 | Very low | 40.8 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -154 | 144.5 | 149.7 | -128.3 | -62.2 | 0 | 0 | 0 | 112 | ||||
| 256 | C | 33.6 | Very low | 41.1 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | trans | -85.8 | 127.4 | -169.3 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 257 | L | 45.3 | Very low | 40.4 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -129.8 | 95.1 | 161.6 | -96.2 | 171.4 | 0 | 0 | 0 | 109.7 | Y259 | L257-Y259 PolarHBondContact O-N 2.93Š| ||
| 258 | D | 36.5 | Very low | 40.9 | Very low | 129 Ų | 129 | 149 Ų | 149 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | trans | -49.5 | 117.4 | 156.1 | -176.6 | -100.7 | 0 | 0 | 0 | 110 | ||||
| 259 | Y | 44.4 | Very low | 40.2 | Very low | 219 Ų | 219 | 147.1 Ų | 147.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -134.4 | 103 | 157 | -112.7 | -87.7 | 0 | 0 | 0 | 109.7 | L257 | L257-Y259 PolarHBondContact O-N 2.93Š| ||
| 260 | K | 40.9 | Very low | 40.3 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -56.5 | 139.4 | 166.6 | 167.4 | 168.1 | 161.9 | 174.8 | 0 | 112.8 | ||||
| 261 | D | 41 | Very low | 39.9 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | trans | 85.1 | 102.5 | 154 | -137.7 | -89.5 | 0 | 0 | 0 | 119.9 | ||||
| 262 | Q | 42 | Very low | 39.8 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | -175.3 | 101.7 | 111.4 | -99.4 | 171.5 | 89.8 | 0 | 0 | 112.1 | A264 | Q262-A264 PolarHBondContact O-N 3.05Š| |||
| 263 | T | 35 | Very low | 40.1 | Very low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 4.2 | 89.5 | 138.8 | 57.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 264 | A | 39.3 | Very low | 39.8 | Very low | 81 Ų | 81 | 146.2 Ų | 146.2 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | trans | -157.1 | 107.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q262 W266 | Q262-A264 PolarHBondContact O-N 3.05Å; A264-W266 PolarHBondContact O-N 3.3Å | ||
| 265 | S | 34.4 | Very low | 40 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -65.8 | 112 | 179.3 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 266 | W | 43.9 | Very low | 39.8 | Very low | 218 Ų | 218 | 145.4 Ų | 145.4 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -153.8 | 50.8 | 160.1 | 57 | -78.2 | 0 | 0 | 0 | 112.2 | A264 L268 | A264-W266 PolarHBondContact O-N 3.3Å; W266-L268 VanDerWaalsContact C-N 3.33Å; W266-L268 PolarHBondContact O-N 3.44Å; W266-L268 VanDerWaalsContact O-N 3.07Å | ||
| 267 | K | 35.8 | Very low | 39.9 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | trans | -72.5 | 89.8 | 158.7 | -95.4 | 176.2 | 167.6 | 166.9 | 0 | 108.4 | ||||
| 268 | L | 51.1 | Low | 39.8 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -104.6 | 102 | 168.3 | -69.8 | -174.6 | 0 | 0 | 0 | 111 | W266 F270 | W266-L268 VanDerWaalsContact C-N 3.33Å; W266-L268 PolarHBondContact O-N 3.44Å; W266-L268 VanDerWaalsContact O-N 3.07Å; L268-F270 PolarHBondContact O-N 2.99Å | ||
| 269 | N | 34.8 | Very low | 40 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -36.1 | 117.5 | 158.2 | -172.2 | 50.5 | 0 | 0 | 0 | 112.6 | N271 | N269-N271 PolarHBondContact O-N 2.99Š| ||
| 270 | F | 42 | Very low | 39.7 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 93% | 0.934 | 76% | 0.757 | S | S | * | * | trans | -74.7 | 85 | 171.2 | -77.6 | -88.4 | 0 | 0 | 0 | 109.8 | L268 | L268-F270 PolarHBondContact O-N 2.99Š| ||
| 271 | N | 35.7 | Very low | 39.7 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | -103.4 | 120.4 | 162.8 | -154.5 | -65.6 | 0 | 0 | 0 | 109.1 | N269 D273 | N269-N271 PolarHBondContact O-N 2.99Å; N271-D273 PolarHBondContact O-N 3.24Å | ||
| 272 | A | 38.8 | Very low | 39.8 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 89.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 273 | D | 41.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | trans | -126.9 | 138.7 | 174.1 | -128.2 | -54.1 | 0 | 0 | 0 | 112.9 | N271 L275 | N271-D273 PolarHBondContact O-N 3.24Å; D273-L275 PolarHBondContact O-N 2.91Å | ||
| 274 | C | 36.8 | Very low | 40.2 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 53% | 0.534 | 75% | 0.746 | S | S | . | * | trans | -97.9 | 49.8 | -165.7 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | Q100 | Q100-C274 PolarHBondContact OE1-SG 3.45Š| ||
| 275 | L | 43.4 | Very low | 41 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -153.7 | 116.9 | -176.9 | -66.8 | 169.5 | 0 | 0 | 0 | 105.1 | D273 | D273-L275 PolarHBondContact O-N 2.91Š| ||
| 276 | D | 39.6 | Very low | 41.8 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | 174.4 | 101.1 | 73.3 | -179.5 | -100.8 | 0 | 0 | 0 | 104.8 | |||||
| 277 | Y | 35.7 | Very low | 42.4 | Very low | 216 Ų | 216 | 145.7 Ų | 145.7 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | trans | -112.6 | 74.6 | 158.1 | -155 | -92.2 | 0 | 0 | 0 | 106.6 | D279 | Y277-D279 PolarHBondContact O-N 3.41Š| ||
| 278 | K | 42.7 | Very low | 43.5 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -29.4 | 116 | 155.3 | -179.3 | 173 | 169.7 | 173.8 | 0 | 111.6 | ||||
| 279 | D | 40.2 | Very low | 43.9 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 50.4 | 85.7 | 140.9 | -146.7 | -97.2 | 0 | 0 | 0 | 116.9 | Y277 | Y277-D279 PolarHBondContact O-N 3.41Š| ||
| 280 | Q | 39.2 | Very low | 44.3 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -127.7 | 84.8 | 143.9 | -163 | 164.8 | 88.6 | 0 | 0 | 107.8 | S282 | Q280-S282 VanDerWaalsContact C-N 3.3Å; Q280-S282 PolarHBondContact O-N 3.41Å | ||
| 281 | T | 40.5 | Very low | 44.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | -42.7 | 98.1 | 152.3 | 152.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 282 | S | 44 | Very low | 44.9 | Very low | 68 Ų | 68 | 143 Ų | 143 | 48% | 0.476 | 74% | 0.736 | S | S | . | * | trans | -129.6 | 85.4 | 163.4 | -71.5 | 0 | 0 | 0 | 0 | 106.3 | Q280 W284 | Q280-S282 VanDerWaalsContact C-N 3.3Å; Q280-S282 PolarHBondContact O-N 3.41Å; S282-W284 VanDerWaalsContact O-CD1 3.27Å; S282-W284 PolarHBondContact O-N 3.06Å | ||
| 283 | S | 41.9 | Very low | 45.3 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -51.5 | 99.7 | 167.3 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | K285 | S283-K285 PolarHBondContact O-N 3.39Š| ||
| 284 | W | 42.2 | Very low | 45.5 | Very low | 223 Ų | 223 | 146.9 Ų | 146.9 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -77.3 | 73.8 | 164.1 | -65.5 | 95.3 | 0 | 0 | 0 | 108.3 | S282 F286 | S282-W284 VanDerWaalsContact O-CD1 3.27Å; S282-W284 PolarHBondContact O-N 3.06Å; W284-F286 PolarHBondContact O-N 3.2Å | ||
| 285 | K | 57.3 | Low | 46.1 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 70% | 0.7 | 75% | 0.749 | S | S | * | * | trans | -77.2 | 95.3 | 163.8 | -178.2 | 174.6 | 171.4 | 173.3 | 0 | 107.3 | S283 Q287 | S283-K285 PolarHBondContact O-N 3.39Å; K285-Q287 PolarHBondContact O-N 3.06Å | ||
| 286 | F | 51.2 | Low | 46.3 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -66 | 103.3 | 163.2 | -99.4 | -91.2 | 0 | 0 | 0 | 108.2 | W284 | W284-F286 PolarHBondContact O-N 3.2Š| ||
| 287 | Q | 56.3 | Low | 46.8 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | -81 | 111 | 162.9 | -169.2 | 78.6 | 41.1 | 0 | 0 | 106.4 | K285 L289 | K285-Q287 PolarHBondContact O-N 3.06Å; Q287-L289 HydrophobicContact CG-CD1 4.32Å | ||
| 288 | V | 59.2 | Low | 47.8 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | trans | -78 | 117.8 | 166 | 175.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 289 | L | 58.4 | Low | 48.2 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 100% | 1.168 | 75% | 0.745 | S | S | * | * | trans | -89 | 0 | 152.8 | -95 | 86.2 | 0 | 0 | 0 | 108.1 | Q287 | Q287-L289 HydrophobicContact CG-CD1 4.32Š|
Retrieved 289 of 289 residues in 114.1 ms
(Link to these results)