| 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 | 32.4 | Very low | 35.4 | Very low | 225 Ų | 225 | 137.8 Ų | 137.8 | 100% | 1.108 | 80% | 0.796 | S | S | * | * | 0 | 101.9 | 0 | -172.2 | 166.8 | 179.1 | 0 | 0 | 107 | |||||
| 2 | L | 35.8 | Very low | 35.2 | Very low | 134 Ų | 134 | 142 Ų | 142 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | 58.1 | 137.3 | 151.1 | -44.6 | 177.3 | 0 | 0 | 0 | 118.6 | ||||
| 3 | D | 29.4 | Very low | 35.4 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | cis | -171.3 | 141 | -7 | -97.6 | -32.6 | 0 | 0 | 0 | 105.6 | ||||
| 4 | L | 31.7 | Very low | 35.3 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -119.2 | 132.6 | 164.3 | -101.9 | 149.1 | 0 | 0 | 0 | 106.9 | ||||
| 5 | P | 42.4 | Very low | 35.2 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -79.4 | 140.6 | -162.5 | 31 | -32.4 | 0 | 0 | 0 | 112.3 | L7 | P5-L7 PolarHBondContact O-N 3.29Š| ||
| 6 | A | 38.1 | Very low | 35.5 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -54.5 | 121.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I8 | A6-I8 PolarHBondContact O-N 3.38Š| ||
| 7 | L | 33.9 | Very low | 35.9 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | -79.6 | 97.9 | 162.8 | -103.4 | 166.4 | 0 | 0 | 0 | 109.1 | P5 S9 | P5-L7 PolarHBondContact O-N 3.29Å; L7-S9 PolarHBondContact O-N 3.2Å | ||
| 8 | I | 35.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | 2.1 | 100.1 | 151.6 | -58.1 | 168.7 | 0 | 0 | 0 | 114.1 | A6 L10 | A6-I8 PolarHBondContact O-N 3.38Å; I8-L10 HydrophobicContact CG2-CB 4.36Å; I8-L10 HydrophobicContact CG2-CD1 4.41Å; I8-L10 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | S | 38.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -55.5 | 104.9 | 149.6 | -175 | 0 | 0 | 0 | 0 | 108.4 | L7 | L7-S9 PolarHBondContact O-N 3.2Š| ||
| 10 | L | 34.5 | Very low | 36 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -104.6 | 94 | 168.1 | -157.3 | 71.3 | 0 | 0 | 0 | 107.6 | I8 | I8-L10 HydrophobicContact CG2-CB 4.36Å; I8-L10 HydrophobicContact CG2-CD1 4.41Å; I8-L10 PolarHBondContact O-N 3.41Å; I8-L10 VanDerWaalsContact O-N 3.16Å | ||
| 11 | G | 37.6 | Very low | 35.8 | Very low | 49 Ų | 49 | 138 Ų | 138 | 51% | 0.505 | 77% | 0.768 | S | S | . | * | trans | -58.5 | 135.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 12 | M | 33.7 | Very low | 35.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | trans | -168.9 | 27.4 | 149.8 | -99.7 | 178.1 | 97.4 | 0 | 0 | 110.5 | ||||
| 13 | A | 36.7 | Very low | 35.6 | Very low | 61 Ų | 61 | 139.4 Ų | 139.4 | 50% | 0.504 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -105.4 | -9.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G15 | A13-G15 PolarHBondContact O-N 3.38Š|
| 14 | D | 34 | Very low | 35.7 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -10.4 | -168.9 | -55.5 | -43.3 | 0 | 0 | 0 | 114.3 | ||
| 15 | G | 34.1 | Very low | 35.7 | Very low | 68 Ų | 68 | 145.6 Ų | 145.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -24.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A13 | A13-G15 PolarHBondContact O-N 3.38Š|
| 16 | W | 40 | Very low | 35.1 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -14.5 | -172.1 | -66.8 | 99.1 | 0 | 0 | 0 | 114 | Y126 | W16-Y126 HydrophobicContact CH2-CD2 4.48Š|
| 17 | L | 42.8 | Very low | 34.7 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -85.3 | -6.7 | 178.2 | -73 | 173.7 | 0 | 0 | 0 | 113.8 | L19 | L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.88Å |
| 18 | N | 31.7 | Very low | 34.6 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -88.2 | 10.4 | -174.5 | -124.6 | -1.3 | 0 | 0 | 0 | 115.4 | ||
| 19 | L | 36.3 | Very low | 34.4 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -122.2 | 53 | 175 | -145.9 | 88.5 | 0 | 0 | 0 | 111.4 | L17 | L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 2.88Å |
| 20 | R | 41.6 | Very low | 33.8 | Very low | 233 Ų | 233 | 148.5 Ų | 148.5 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -158.4 | 75.3 | 163.6 | -151.1 | 177.8 | -172.2 | -175 | 0.7 | 111.3 | ||||
| 21 | S | 31.8 | Very low | 34 | Very low | 120 Ų | 120 | 150 Ų | 150 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -156.7 | 77.1 | 160.1 | -79.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 22 | E | 31.5 | Very low | 33.7 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -176.7 | 97.1 | 149.6 | -104.5 | 177.3 | -177.8 | 0 | 0 | 108 | ||||
| 23 | E | 31.7 | Very low | 34 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 163.3 | 89.1 | 140.3 | -94.1 | -178.9 | 154.7 | 0 | 0 | 109.4 | ||||
| 24 | E | 32.8 | Very low | 34.1 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -119.7 | 109.1 | 146 | -82.5 | -161.8 | 162.2 | 0 | 0 | 107.7 | ||||
| 25 | R | 31.1 | Very low | 34.5 | Very low | 247 Ų | 247 | 150.4 Ų | 150.4 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -161.1 | 102.4 | 144 | -159.2 | 174.2 | -65.2 | -98.6 | -1.4 | 112 | ||||
| 26 | G | 30.8 | Very low | 35 | Very low | 67 Ų | 67 | 153.8 Ų | 153.8 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 79.3 | 116.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 27 | Q | 29.3 | Very low | 35.5 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | 174.4 | 128.5 | 104.9 | -97 | 171.4 | -35.7 | 0 | 0 | 110.8 | |||||
| 28 | E | 30.8 | Very low | 35.6 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -70.5 | 144.7 | 165 | -77.1 | 178.9 | 134.7 | 0 | 0 | 111.1 | ||||
| 29 | S | 30.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | 131.8 | 141.7 | 137.1 | 71.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 30 | S | 27.4 | Very low | 37 | Very low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | 102.6 | 107.9 | 157 | -149.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 31 | M | 38.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 96% | 0.956 | 81% | 0.805 | S | S | * | * | trans | -50.2 | 142.4 | 161.1 | -70.4 | 179 | 168.5 | 0 | 0 | 111.8 | ||||
| 32 | G | 30.7 | Very low | 38.5 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -171.4 | 106.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 33 | D | 39.4 | Very low | 39.4 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -36 | 133.4 | 172.4 | -177.8 | 20.8 | 0 | 0 | 0 | 116.2 | S35 | D33-S35 PolarHBondContact OD1-N 3.16Š| ||
| 34 | S | 38.6 | Very low | 40.9 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -157.1 | 64.6 | 157.6 | 72 | 0 | 0 | 0 | 0 | 111.3 | N36 | S34-N36 PolarHBondContact O-N 3.38Š| ||
| 35 | S | 42.1 | Very low | 42.5 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | -78.1 | 89.8 | 161.6 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | D33 | D33-S35 PolarHBondContact OD1-N 3.16Š| ||
| 36 | N | 46.2 | Very low | 43.8 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | trans | -158.2 | 47.7 | 169.7 | -127.8 | -44.2 | 0 | 0 | 0 | 114.5 | S34 | S34-N36 PolarHBondContact O-N 3.38Š| ||
| 37 | L | 49 | Very low | 44.9 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 89% | 0.89 | 72% | 0.716 | S | S | * | * | trans | -123.5 | 11.5 | 177.6 | -79.4 | 167.8 | 0 | 0 | 0 | 114.2 | ||||
| 38 | D | 44.8 | Very low | 46.3 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | trans | -106 | 2.4 | -172.4 | -148.4 | 28.5 | 0 | 0 | 0 | 115.3 | S40 L41 | D38-S40 PolarHBondContact O-N 2.87Å; D38-S40 VanDerWaalsContact O-N 3.11Å; D38-L41 WeakPolarHBondContact OD1-CD1 3.14Å | ||
| 39 | D | 45.1 | Very low | 47.4 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 6 | -175.8 | -116.2 | 5.1 | 0 | 0 | 0 | 114.7 | ||
| 40 | S | 53.2 | Low | 48.2 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -1.6 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 114.2 | D38 | D38-S40 PolarHBondContact O-N 2.87Å; D38-S40 VanDerWaalsContact O-N 3.11Å |
| 41 | L | 48.8 | Very low | 49.1 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -87.6 | -7.4 | -178.6 | -67.8 | -177.1 | 0 | 0 | 0 | 114.5 | D38 | D38-L41 WeakPolarHBondContact OD1-CD1 3.14Š|
| 42 | T | 55.4 | Low | 49.5 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -133.8 | -7.4 | 178.3 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | L44 | T42-L44 PolarHBondContact O-N 3.07Š|
| 43 | S | 51.5 | Low | 50.1 | Low | 63 Ų | 63 | 123.9 Ų | 123.9 | 44% | 0.441 | 67% | 0.667 | S | S | . | * | trans | -71.9 | 103.5 | -177.1 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | Q45 | S43-Q45 PolarHBondContact O-N 3.29Š| ||
| 44 | L | 63.7 | Low | 50.1 | Low | 110 Ų | 110 | 124.6 Ų | 124.6 | 58% | 0.576 | 67% | 0.671 | S | S | * | * | trans | -69.8 | 31.4 | 169.1 | -66.4 | 178.3 | 0 | 0 | 0 | 112.2 | T42 W46 L47 | T42-L44 PolarHBondContact O-N 3.07Å; L44-W46 HydrophobicContact CD2-CZ2 4.29Å; L44-W46 PolarHBondContact O-N 3.17Å; L44-W46 VanDerWaalsContact O-N 3.08Å; L44-L47 HydrophobicContact CB-CD1 4.05Å; L44-L47 HydrophobicContact CD1-CD1 4.05Å; L44-L47 HydrophobicContact CD2-CD1 4.15Å; L44-L47 HydrophobicContact CG-CD1 4.31Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.15Å | ||
| 45 | Q | 65.2 | Low | 50.1 | Low | 120 Ų | 120 | 123.6 Ų | 123.6 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -56.8 | -28.2 | -178.8 | -159.5 | 70.7 | 15.9 | 0 | 0 | 112.2 | S43 L47 Q48 | S43-Q45 PolarHBondContact O-N 3.29Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 3.33Å; Q45-Q48 VanDerWaalsContact O-CB 3.29Å; Q45-Q48 WeakPolarHBondContact O-CB 3.38Å; Q45-Q48 PolarHBondContact O-N 3.33Å; Q45-Q48 VanDerWaalsContact O-N 3.12Å |
| 46 | W | 58.4 | Low | 49.8 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 58% | 0.576 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -64.9 | -24.4 | 175.7 | 68.2 | -91.4 | 0 | 0 | 0 | 113.8 | L44 Q48 | L44-W46 HydrophobicContact CD2-CZ2 4.29Å; L44-W46 PolarHBondContact O-N 3.17Å; L44-W46 VanDerWaalsContact O-N 3.08Å; W46-Q48 VanDerWaalsContact C-N 3.25Å; W46-Q48 PolarHBondContact O-N 3.32Å |
| 47 | L | 54.4 | Low | 49.4 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 45% | 0.45 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -73.3 | -20.3 | 174.8 | -86.7 | 159.8 | 0 | 0 | 0 | 112 | L44 Q45 E49 F50 | L44-L47 HydrophobicContact CB-CD1 4.05Å; L44-L47 HydrophobicContact CD1-CD1 4.05Å; L44-L47 HydrophobicContact CD2-CD1 4.15Å; L44-L47 HydrophobicContact CG-CD1 4.31Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.15Å; Q45-L47 VanDerWaalsContact C-N 3.26Å; Q45-L47 PolarHBondContact O-N 3.33Å; L47-E49 VanDerWaalsContact C-N 3.33Å; L47-F50 PolarHBondContact O-N 3.19Å |
| 48 | Q | 58.9 | Low | 48.7 | Very low | 124 Ų | 124 | 121 Ų | 121 | 58% | 0.579 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -73.3 | -26.4 | -179.9 | -157.7 | 171.3 | 4.7 | 0 | 0 | 112.5 | Q45 W46 F50 S51 | Q45-Q48 VanDerWaalsContact O-CB 3.29Å; Q45-Q48 WeakPolarHBondContact O-CB 3.38Å; Q45-Q48 PolarHBondContact O-N 3.33Å; Q45-Q48 VanDerWaalsContact O-N 3.12Å; W46-Q48 VanDerWaalsContact C-N 3.25Å; W46-Q48 PolarHBondContact O-N 3.32Å; Q48-F50 VanDerWaalsContact C-N 3.25Å; Q48-F50 PolarHBondContact O-N 2.99Å; Q48-S51 PolarHBondContact O-OG 3.49Å; Q48-S51 VanDerWaalsContact O-OG 3.08Å |
| 49 | E | 52.5 | Low | 48.2 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -72 | -16.1 | 174.4 | -86.6 | -176.5 | 150.9 | 0 | 0 | 113.5 | L47 | L47-E49 VanDerWaalsContact C-N 3.33Š|
| 50 | F | 48.2 | Very low | 47.6 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 63% | 0.627 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -111.1 | 52.3 | 175 | -60.9 | -78.9 | 0 | 0 | 0 | 111.3 | L47 Q48 I52 | L47-F50 PolarHBondContact O-N 3.19Å; Q48-F50 VanDerWaalsContact C-N 3.25Å; Q48-F50 PolarHBondContact O-N 2.99Å; F50-I52 VanDerWaalsContact C-N 3.26Å; F50-I52 PolarHBondContact O-N 2.93Å |
| 51 | S | 45.8 | Very low | 46.6 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | trans | -55.5 | 84.3 | 176 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | Q48 I53 | Q48-S51 PolarHBondContact O-OG 3.49Å; Q48-S51 VanDerWaalsContact O-OG 3.08Å; S51-I53 PolarHBondContact O-N 3.3Å | ||
| 52 | I | 47.5 | Very low | 45.9 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | trans | -79.3 | 93.8 | 161.7 | -59.8 | 173.6 | 0 | 0 | 0 | 105.4 | F50 | F50-I52 VanDerWaalsContact C-N 3.26Å; F50-I52 PolarHBondContact O-N 2.93Å | ||
| 53 | I | 44 | Very low | 44.9 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | trans | 40.8 | 99.5 | 163.9 | -67.3 | 95.2 | 0 | 0 | 0 | 115.7 | S51 A55 | S51-I53 PolarHBondContact O-N 3.3Å; I53-A55 PolarHBondContact O-N 3.45Å; I53-A55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | N | 38 | Very low | 44.8 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -65.5 | 100.6 | 155.6 | -79.9 | -14.4 | 0 | 0 | 0 | 109.7 | ||||
| 55 | A | 40 | Very low | 43.4 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | trans | -84.2 | 106.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | I53 V57 | I53-A55 PolarHBondContact O-N 3.45Å; I53-A55 VanDerWaalsContact O-N 3.09Å; A55-V57 PolarHBondContact O-N 3.4Å | ||
| 56 | N | 36.1 | Very low | 41.8 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -64.6 | 103.4 | 177.9 | -178.2 | 19.1 | 0 | 0 | 0 | 111.3 | ||||
| 57 | V | 37.6 | Very low | 40.7 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -90.7 | 110.2 | 160.2 | 168.2 | 0 | 0 | 0 | 0 | 107.6 | A55 K59 | A55-V57 PolarHBondContact O-N 3.4Å; V57-K59 PolarHBondContact O-N 3.36Å | ||
| 58 | G | 33.7 | Very low | 39.7 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 59 | K | 33.4 | Very low | 39.4 | Very low | 209 Ų | 209 | 127 Ų | 127 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 145 | 169.3 | -92.6 | 167.3 | 172.8 | 169.6 | 0 | 111.3 | V57 | V57-K59 PolarHBondContact O-N 3.36Š|
| 60 | S | 32.5 | Very low | 38.7 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 159.2 | -177.6 | 44 | 0 | 0 | 0 | 0 | 115.3 | ||
| 61 | S | 32.9 | Very low | 37.8 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -131.4 | 120.4 | 161.3 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 62 | S | 33.6 | Very low | 37.3 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 21.1 | 142.9 | 141 | 57.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 63 | S | 34.1 | Very low | 36.8 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -169.4 | -155.3 | 2.5 | -72.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 64 | P | 51.3 | Low | 36.3 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -126.7 | 177 | -107.6 | 38.5 | -17.7 | 0 | 0 | 0 | 117.8 | |||||
| 65 | S | 34 | Very low | 36.3 | Very low | 129 Ų | 129 | 134 Ų | 134 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | 90.5 | 131.9 | 149.4 | -161.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 66 | G | 30.4 | Very low | 36.4 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | 150.6 | 82.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 67 | T | 35.8 | Very low | 36.2 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | 20.3 | 128.6 | 143.1 | 52.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 68 | D | 33.9 | Very low | 36.2 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -39.3 | 176.2 | 151.3 | -107.7 | -28.2 | 0 | 0 | 0 | 116.9 | ||||
| 69 | P | 52.4 | Low | 36.2 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | cis | -149.3 | 179.1 | 7.4 | 37.1 | -13.5 | 0 | 0 | 0 | 119.4 | ||||
| 70 | H | 36.8 | Very low | 36.6 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | trans | 79.1 | 132.3 | 147.7 | -68.8 | -57.4 | 0 | 0 | 0 | 124.8 | ||||
| 71 | D | 29.4 | Very low | 37.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | 108.7 | 102.2 | 137.8 | -95.6 | 22.3 | 0 | 0 | 0 | 122.9 | ||||
| 72 | Y | 35.4 | Very low | 37.4 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | 54.1 | 127.5 | 130.6 | -76.1 | -63.8 | 0 | 0 | 0 | 124.6 | ||||
| 73 | H | 38.2 | Very low | 37.8 | Very low | 162 Ų | 162 | 129 Ų | 129 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | trans | 74 | 106.9 | 143 | -63 | -55.7 | 0 | 0 | 0 | 120.9 | ||||
| 74 | K | 32.9 | Very low | 38.5 | Very low | 203 Ų | 203 | 130 Ų | 130 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | 156.7 | 131.1 | 107.1 | -99.3 | 176.5 | 177.7 | -178.7 | 0 | 112.8 | |||||
| 75 | I | 37.2 | Very low | 38 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 139.7 | 160.8 | -66 | 171.1 | 0 | 0 | 0 | 108.5 | ||||
| 76 | P | 42.9 | Very low | 38.3 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -148.6 | 130.5 | 95.4 | 32.2 | -10.3 | 0 | 0 | 0 | 117.4 | |||||
| 77 | G | 31.2 | Very low | 38.7 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | 79.7 | 122.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 78 | S | 38.4 | Very low | 38.9 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 71.9 | 127.8 | 153.8 | -153.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 79 | V | 33.9 | Very low | 39.8 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | cis | -161.4 | 145.3 | 42.8 | -147.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 80 | A | 41.8 | Very low | 39 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 160.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 81 | P | 43.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -136.1 | 151.9 | 108.3 | 34.9 | -21.9 | 0 | 0 | 0 | 114.1 | |||||
| 82 | C | 37.9 | Very low | 39.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 141.5 | -166.6 | -52.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 83 | S | 43.3 | Very low | 39.8 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 142.4 | 161.6 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 84 | P | 49 | Very low | 40.1 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 134 | 171.1 | 29.5 | -30.9 | 0 | 0 | 0 | 111.2 | ||
| 85 | L | 39.8 | Very low | 40.6 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 136.7 | 179.4 | -169.5 | 64.5 | 0 | 0 | 0 | 111.1 | A87 | L85-A87 PolarHBondContact O-N 2.88Š|
| 86 | A | 40 | Very low | 40.8 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 129.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 87 | A | 39.5 | Very low | 41.1 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 126.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L85 | L85-A87 PolarHBondContact O-N 2.88Š|
| 88 | D | 40.2 | Very low | 41.7 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 125.4 | 170.5 | -170.4 | -0 | 0 | 0 | 0 | 109.5 | ||
| 89 | P | 51.5 | Low | 41.8 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -106.2 | 90.3 | 169.3 | 35 | -23.6 | 0 | 0 | 0 | 110.6 | ||||
| 90 | A | 35.9 | Very low | 42.4 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -133 | 86.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 91 | C | 42.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 178.8 | 114.2 | 135.5 | 60.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 92 | M | 39.6 | Very low | 42.5 | Very low | 189 Ų | 189 | 130 Ų | 130 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -143.8 | 113.8 | 144.8 | -77.4 | -53.5 | -85.8 | 0 | 0 | 107.5 | ||||
| 93 | G | 36.9 | Very low | 42.6 | Very low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -65.8 | 169.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 94 | M | 44.5 | Very low | 42.3 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | trans | -50.8 | 147.3 | -177.1 | -61.3 | 180 | 63.6 | 0 | 0 | 115.5 | ||||
| 95 | P | 43.7 | Very low | 41.7 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -109.4 | 146.2 | 141.7 | 33.2 | -24.5 | 0 | 0 | 0 | 111.8 | ||||
| 96 | H | 40.4 | Very low | 41.6 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -69.6 | 140.3 | 179.8 | -69.2 | -100 | 0 | 0 | 0 | 113.6 | ||||
| 97 | T | 50 | Low | 41.4 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 34.5 | 128.4 | 152.9 | 62 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 98 | P | 44 | Very low | 41.6 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -153.8 | 151 | 93.9 | 34.4 | -14.3 | 0 | 0 | 0 | 116.9 | |||||
| 99 | G | 39.3 | Very low | 41.4 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 86 | 116.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 100 | K | 46.7 | Very low | 40.9 | Very low | 196 Ų | 196 | 130 Ų | 130 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -60.7 | 141.5 | 172.1 | -60.2 | 128.1 | 176.5 | -178.3 | 0 | 111.3 | I102 | K100-I102 PolarHBondContact O-N 2.94Å; K100-I102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | P | 43.9 | Very low | 41.2 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -71.2 | 111 | 165.2 | 28.5 | -30.3 | 0 | 0 | 0 | 109.1 | S103 | P101-S103 PolarHBondContact O-N 3.33Š| ||
| 102 | I | 44.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -63.4 | 118.6 | 164 | -67.1 | 170.1 | 0 | 0 | 0 | 106.6 | K100 S104 | K100-I102 PolarHBondContact O-N 2.94Å; K100-I102 VanDerWaalsContact O-N 3.16Å; I102-S104 PolarHBondContact O-N 2.69Å; I102-S104 VanDerWaalsContact O-N 3.09Å | ||
| 103 | S | 40.4 | Very low | 40.8 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -54.9 | 113.3 | 170.4 | -53 | 0 | 0 | 0 | 0 | 109.6 | P101 S105 | P101-S103 PolarHBondContact O-N 3.33Å; S103-S105 PolarHBondContact O-N 3.37Å | ||
| 104 | S | 36.9 | Very low | 40.8 | Very low | 119 Ų | 119 | 132 Ų | 132 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -71.5 | 78 | 166.8 | 39.5 | 0 | 0 | 0 | 0 | 109 | I102 T106 | I102-S104 PolarHBondContact O-N 2.69Å; I102-S104 VanDerWaalsContact O-N 3.09Å; S104-T106 PolarHBondContact O-N 3.33Å; S104-T106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | S | 36.7 | Very low | 40.8 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -69.4 | 102.4 | 164.2 | -159.1 | 0 | 0 | 0 | 0 | 107.5 | S103 S107 | S103-S105 PolarHBondContact O-N 3.37Å; S105-S107 PolarHBondContact O-N 3.21Å | ||
| 106 | T | 36.2 | Very low | 40.5 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -65 | 87 | 162.3 | -97.1 | 0 | 0 | 0 | 0 | 107.3 | S104 R108 | S104-T106 PolarHBondContact O-N 3.33Å; S104-T106 VanDerWaalsContact O-N 3.1Å; T106-R108 HydrophobicContact CG2-CG 4.37Å; T106-R108 PolarHBondContact O-N 3.02Å | ||
| 107 | S | 36.7 | Very low | 40.3 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -74.1 | 100.1 | 166.1 | -64.3 | 0 | 0 | 0 | 0 | 106.9 | S105 T109 | S105-S107 PolarHBondContact O-N 3.21Å; S107-T109 PolarHBondContact O-N 3.04Å | ||
| 108 | R | 42.9 | Very low | 39.7 | Very low | 227 Ų | 227 | 126.9 Ų | 126.9 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -59.6 | 121.6 | 163.6 | -69.8 | 177.2 | 66.3 | -177.4 | 0.9 | 107.2 | T106 A110 | T106-R108 HydrophobicContact CG2-CG 4.37Å; T106-R108 PolarHBondContact O-N 3.02Å; R108-A110 PolarHBondContact O-N 3.36Å | ||
| 109 | T | 36.7 | Very low | 39.1 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -34.8 | 99.1 | 173.7 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | S107 H111 | S107-T109 PolarHBondContact O-N 3.04Å; T109-H111 PolarHBondContact O-N 3.43Å | ||
| 110 | A | 41.3 | Very low | 39.3 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 109.1 | 159 | 0 | 0 | 0 | 0 | 0 | 105.8 | R108 L112 | R108-A110 PolarHBondContact O-N 3.36Å; A110-L112 PolarHBondContact O-N 2.86Å; A110-L112 VanDerWaalsContact O-N 3.16Å | ||
| 111 | H | 41 | Very low | 39.3 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -57.5 | 120.6 | 168.5 | 82.2 | -75.6 | 0 | 0 | 0 | 107.8 | T109 | T109-H111 PolarHBondContact O-N 3.43Š| ||
| 112 | L | 41.6 | Very low | 39.5 | Very low | 174 Ų | 174 | 128 Ų | 128 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -77.2 | 127.2 | 159.9 | -102.8 | 87.6 | 0 | 0 | 0 | 106.7 | A110 | A110-L112 PolarHBondContact O-N 2.86Å; A110-L112 VanDerWaalsContact O-N 3.16Å | ||
| 113 | G | 33 | Very low | 40.4 | Very low | 35 Ų | 35 | 128.1 Ų | 128.1 | 36% | 0.361 | 75% | 0.747 | S | S | . | * | trans | -170.6 | 87.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 114 | V | 36.4 | Very low | 42.1 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | 72.1 | 140.5 | 142.9 | -170.9 | 0 | 0 | 0 | 0 | 116.2 | M116 | V114-M116 WeakPolarHBondContact O-CG 3.27Å; V114-M116 PolarHBondContact O-N 3.46Å | ||
| 115 | G | 45.2 | Very low | 44.3 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | trans | -55.5 | 104.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 116 | M | 36.7 | Very low | 46.6 | Very low | 145 Ų | 145 | 119.8 Ų | 119.8 | 71% | 0.714 | 68% | 0.675 | S | S | * | * | trans | -111.4 | 113.2 | 175.4 | -65.9 | -174.1 | 83.7 | 0 | 0 | 107.5 | V114 A118 | V114-M116 WeakPolarHBondContact O-CG 3.27Å; V114-M116 PolarHBondContact O-N 3.46Å; M116-A118 PolarHBondContact O-N 2.79Å | ||
| 117 | H | 35.6 | Very low | 48.8 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 69% | 0.685 | 65% | 0.653 | S | S | * | * | trans | -4.2 | 123.7 | 142 | -168.4 | -88.9 | 0 | 0 | 0 | 112.4 | Q119 | H117-Q119 PolarHBondContact ND1-NE2 3.39Å; H117-Q119 PolarHBondContact O-N 3.32Å | ||
| 118 | A | 37.8 | Very low | 51 | Low | 96 Ų | 96 | 116.9 Ų | 116.9 | 79% | 0.793 | 65% | 0.646 | S | S | * | * | trans | -55.1 | 88.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | M116 | M116-A118 PolarHBondContact O-N 2.79Š| ||
| 119 | Q | 32.1 | Very low | 53.1 | Low | 133 Ų | 133 | 109.2 Ų | 109.2 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | trans | -69.5 | 136.4 | 167.6 | -71.9 | -66.4 | -36.6 | 0 | 0 | 106 | H117 M121 | H117-Q119 PolarHBondContact ND1-NE2 3.39Å; H117-Q119 PolarHBondContact O-N 3.32Å; Q119-M121 PolarHBondContact O-N 2.9Å | ||
| 120 | P | 42.9 | Very low | 55.4 | Low | 105 Ų | 105 | 104.7 Ų | 104.7 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | trans | -54.5 | 128.7 | 172.8 | -13.4 | 26.5 | 0 | 0 | 0 | 106.7 | E122 | P120-E122 PolarHBondContact O-N 3.46Š| ||
| 121 | M | 46.4 | Very low | 57.4 | Low | 143 Ų | 143 | 109 Ų | 109 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | trans | -54.2 | 114.4 | 165.5 | -79.8 | -168.1 | 168.3 | 0 | 0 | 106 | Q119 D123 K224 | Q119-M121 PolarHBondContact O-N 2.9Å; M121-D123 PolarHBondContact O-N 3.39Å; M121-K224 PolarHBondContact SD-NZ 3.38Å | ||
| 122 | E | 48.8 | Very low | 59.6 | Low | 174 Ų | 174 | 104.2 Ų | 104.2 | 81% | 0.813 | 58% | 0.582 | S | S | * | * | trans | -48.2 | 130.9 | 169.1 | -76.4 | 174.8 | 155.4 | 0 | 0 | 107.7 | P120 I124 | P120-E122 PolarHBondContact O-N 3.46Å; E122-I124 PolarHBondContact O-N 3.12Å | ||
| 123 | D | 64.1 | Low | 61.9 | Low | 161 Ų | 161 | 101 Ų | 101 | 86% | 0.861 | 56% | 0.561 | S | S | * | * | trans | -66.4 | 83.1 | 176.4 | -73.5 | -45.2 | 0 | 0 | 0 | 108.2 | M121 D125 | M121-D123 PolarHBondContact O-N 3.39Å; D123-D125 PolarHBondContact O-N 3.48Å | ||
| 124 | I | 75.6 | Confident | 64.6 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 33% | 0.328 | 55% | 0.545 | S | S | . | . | trans | -62.2 | 113.6 | 174.7 | -63.6 | 160.1 | 0 | 0 | 0 | 106.8 | E122 Y126 V132 | E122-I124 PolarHBondContact O-N 3.12Å; I124-Y126 HydrophobicContact CB-CE1 4.14Å; I124-Y126 HydrophobicContact CB-CE2 4.47Å; I124-Y126 HydrophobicContact CG2-CD1 4.02Å; I124-Y126 HydrophobicContact CG2-CE1 3.83Å; I124-Y126 WeakPolarHBondContact O-CD2 3.46Å; I124-Y126 WeakPolarHBondContact O-CE2 3.04Å; I124-Y126 PolarHBondContact O-N 3.23Å; I124-V132 HydrophobicContact CG2-CB 4.32Å; I124-V132 HydrophobicContact CG2-CG1 4.24Å; I124-V132 HydrophobicContact CG2-CG2 4.33Å | ||
| 125 | D | 82.7 | Confident | 67.1 | Low | 56 Ų | 56 | 96.2 Ų | 96.2 | 30% | 0.299 | 53% | 0.526 | S | S | . | . | trans | -72.3 | 96.2 | 174.4 | 179.1 | 17.9 | 0 | 0 | 0 | 110.2 | D123 K127 T128 N129 | D123-D125 PolarHBondContact O-N 3.48Å; D125-K127 PolarHBondContact O-N 3.14Å; D125-K127 VanDerWaalsContact OD1-CB 3.3Å; D125-K127 WeakPolarHBondContact OD1-CB 3.4Å; D125-K127 PolarHBondContact OD1-N 3.43Å; D125-T128 VanDerWaalsContact CG-OG1 3.27Å; D125-T128 PolarHBondContact O-N 3.03Å; D125-T128 PolarHBondContact O-OG1 3.36Å; D125-T128 WeakPolarHBondContact OD2-CB 3.3Å; D125-T128 WeakPolarHBondContact OD2-CG2 3.31Å; D125-T128 PolarHBondContact OD2-OG1 3.34Å; D125-N129 WeakPolarHBondContact O-CB 3.49Å; D125-N129 PolarHBondContact O-N 2.69Å; D125-N129 PolarHBondContact O-ND2 3.07Å | ||
| 126 | Y | 84.5 | Confident | 69.3 | Low | 30 Ų | 30 | 95.2 Ų | 95.2 | 12% | 0.118 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.8 | 179.9 | -56.4 | -76.6 | 0 | 0 | 0 | 113.6 | W16 I124 V132 P134 P135 F167 C168 | W16-Y126 HydrophobicContact CH2-CD2 4.48Å; I124-Y126 HydrophobicContact CB-CE1 4.14Å; I124-Y126 HydrophobicContact CB-CE2 4.47Å; I124-Y126 HydrophobicContact CG2-CD1 4.02Å; I124-Y126 HydrophobicContact CG2-CE1 3.83Å; I124-Y126 WeakPolarHBondContact O-CD2 3.46Å; I124-Y126 WeakPolarHBondContact O-CE2 3.04Å; I124-Y126 PolarHBondContact O-N 3.23Å; Y126-V132 HydrophobicContact CD1-CG1 4.3Å; Y126-V132 HydrophobicContact CE1-CG1 3.86Å; Y126-P134 HydrophobicContact CD1-CB 4.27Å; Y126-P134 HydrophobicContact CD1-CG 4.29Å; Y126-P135 WeakPolarHBondContact OH-CD 3.49Å; Y126-F167 WeakPolarHBondContact O-CA 3.49Å; Y126-C168 PolarHBondContact O-N 3.19Å |
| 127 | K | 83.1 | Confident | 72 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -28.2 | 177.5 | -68.7 | -178.2 | 169.1 | -179.6 | 0 | 112.8 | D125 N166 C168 | D125-K127 PolarHBondContact O-N 3.14Å; D125-K127 VanDerWaalsContact OD1-CB 3.3Å; D125-K127 WeakPolarHBondContact OD1-CB 3.4Å; D125-K127 PolarHBondContact OD1-N 3.43Å; K127-N166 VanDerWaalsContact CG-O 3.31Å; K127-N166 WeakPolarHBondContact CG-O 3.43Å; K127-C168 WeakPolarHBondContact O-CB 3.49Å |
| 128 | T | 83.6 | Confident | 74.8 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 55% | 0.546 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -31.1 | -176.4 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | D125 P130 C168 | D125-T128 VanDerWaalsContact CG-OG1 3.27Å; D125-T128 PolarHBondContact O-N 3.03Å; D125-T128 PolarHBondContact O-OG1 3.36Å; D125-T128 WeakPolarHBondContact OD2-CB 3.3Å; D125-T128 WeakPolarHBondContact OD2-CG2 3.31Å; D125-T128 PolarHBondContact OD2-OG1 3.34Å; T128-P130 WeakPolarHBondContact O-CD 3.41Å; T128-C168 PolarHBondContact O-SG 3.42Å |
| 129 | N | 85.3 | Confident | 77.5 | Confident | 65 Ų | 65 | 81 Ų | 81 | 35% | 0.348 | 42% | 0.416 | S | S | . | . | trans | -82.9 | 111.5 | -173.8 | -72.3 | -65.7 | 0 | 0 | 0 | 113.5 | D125 | D125-N129 WeakPolarHBondContact O-CB 3.49Å; D125-N129 PolarHBondContact O-N 2.69Å; D125-N129 PolarHBondContact O-ND2 3.07Å | ||
| 130 | P | 85.3 | Confident | 80.4 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 28% | 0.279 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -78.6 | -21.4 | 179.8 | 31.5 | -34.7 | 0 | 0 | 0 | 113.4 | T128 Y169 | T128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-Y169 WeakPolarHBondContact O-CA 3.47Å; P130-Y169 WeakPolarHBondContact O-CD2 3.17Å |
| 131 | H | 82.9 | Confident | 82.9 | Confident | 176 Ų | 176 | 70.2 Ų | 70.2 | 82% | 0.815 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -88.2 | -11.3 | -172 | -61.4 | -61.6 | 0 | 0 | 0 | 114.4 | ||
| 132 | V | 87.6 | Confident | 85.2 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | trans | -108.3 | 112 | -175.5 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | I124 Y126 P134 | I124-V132 HydrophobicContact CG2-CB 4.32Å; I124-V132 HydrophobicContact CG2-CG1 4.24Å; I124-V132 HydrophobicContact CG2-CG2 4.33Å; Y126-V132 HydrophobicContact CD1-CG1 4.3Å; Y126-V132 HydrophobicContact CE1-CG1 3.86Å; V132-P134 WeakPolarHBondContact O-CD 3.3Å | ||
| 133 | K | 90.3 | Very high | 87.3 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 47% | 0.465 | 29% | 0.286 | S | S | . | . | trans | -67.1 | 126.6 | 171.4 | -174.9 | 174.6 | 179.7 | 175.3 | 0 | 109.4 | Y169 | K133-Y169 HydrophobicContact CB-CD1 4.36Å; K133-Y169 HydrophobicContact CB-CD2 4.08Å; K133-Y169 HydrophobicContact CB-CE1 4.25Å; K133-Y169 HydrophobicContact CB-CE2 3.93Å; K133-Y169 HydrophobicContact CB-CG 4.29Å; K133-Y169 HydrophobicContact CD-CE1 4.18Å; K133-Y169 HydrophobicContact CG-CD1 4.17Å; K133-Y169 HydrophobicContact CG-CE1 3.95Å; K133-Y169 HydrophobicContact CG-CE2 4.49Å | ||
| 134 | P | 89.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | trans | -59.7 | 142.8 | 178.4 | -23.1 | 32.9 | 0 | 0 | 0 | 111.6 | Y126 V132 Y136 F167 F170 | Y126-P134 HydrophobicContact CD1-CB 4.27Å; Y126-P134 HydrophobicContact CD1-CG 4.29Å; V132-P134 WeakPolarHBondContact O-CD 3.3Å; P134-Y136 HydrophobicContact CB-CD2 3.61Å; P134-Y136 HydrophobicContact CB-CE2 4.21Å; P134-Y136 PolarHBondContact O-N 3.18Å; P134-F167 HydrophobicContact CB-CD1 3.78Å; P134-F167 HydrophobicContact CB-CE1 3.83Å; P134-F167 HydrophobicContact CB-CG 4.49Å; P134-F167 HydrophobicContact CG-CB 3.93Å; P134-F167 HydrophobicContact CG-CD1 3.21Å; P134-F167 HydrophobicContact CG-CE1 3.82Å; P134-F167 HydrophobicContact CG-CG 3.68Å; P134-F170 HydrophobicContact CG-CE2 4.05Å | ||
| 135 | P | 89.6 | Confident | 89.6 | Confident | 62 Ų | 62 | 45.9 Ų | 45.9 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -77.7 | 40 | 179.9 | 34.7 | -37.6 | 0 | 0 | 0 | 112.3 | Y126 | Y126-P135 WeakPolarHBondContact OH-CD 3.49Š|
| 136 | Y | 90.2 | Very high | 90.1 | Very high | 61 Ų | 61 | 43.9 Ų | 43.9 | 24% | 0.239 | 23% | 0.225 | C | C | . | . | trans | -116.6 | 141.7 | -178 | -59.1 | -62.1 | 0 | 0 | 0 | 110.9 | P134 T140 L141 M144 F167 | P134-Y136 HydrophobicContact CB-CD2 3.61Å; P134-Y136 HydrophobicContact CB-CE2 4.21Å; P134-Y136 PolarHBondContact O-N 3.18Å; Y136-T140 HydrophobicContact CD1-CG2 3.87Å; Y136-T140 HydrophobicContact CG-CG2 4.38Å; Y136-L141 HydrophobicContact CD2-CD2 4.41Å; Y136-M144 HydrophobicContact CD1-CE 4.34Å; Y136-M144 HydrophobicContact CD2-CE 3.99Å; Y136-M144 HydrophobicContact CE2-CE 4.43Å; Y136-M144 HydrophobicContact CG-CE 3.95Å; Y136-F167 AromaticContact CD2-CE1 3.96Å; Y136-F167 HydrophobicContact CD2-CE1 3.96Å; Y136-F167 AromaticContact CD2-CZ 3.86Å; Y136-F167 HydrophobicContact CD2-CZ 3.86Å; Y136-F167 AromaticContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CZ 4Å | ||
| 137 | S | 93.5 | Very high | 90.4 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | trans | -74.4 | 156.8 | 170.9 | 76.5 | 0 | 0 | 0 | 0 | 111 | A139 T140 L141 R225 | S137-A139 PolarHBondContact O-N 2.87Å; S137-T140 WeakPolarHBondContact O-CA 3.46Å; S137-T140 WeakPolarHBondContact O-CB 3.31Å; S137-T140 PolarHBondContact O-N 3Å; S137-T140 PolarHBondContact OG-N 3.24Å; S137-T140 VanDerWaalsContact OG-N 3.11Å; S137-T140 PolarHBondContact OG-OG1 3.36Å; S137-L141 WeakPolarHBondContact O-CG 3.35Å; S137-L141 PolarHBondContact O-N 3.28Å; S137-R225 VanDerWaalsContact CB-CZ 3.46Å | ||
| 138 | Y | 95.6 | Very high | 90.8 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -38.4 | 174.5 | -66.2 | -57.7 | 0 | 0 | 0 | 112.6 | L141 I142 F170 W177 I181 | Y138-L141 HydrophobicContact CD1-CD1 4.05Å; Y138-L141 PolarHBondContact O-N 3.04Å; Y138-I142 WeakPolarHBondContact O-CD1 3.29Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.49Å; Y138-I142 PolarHBondContact O-N 2.85Å; Y138-F170 HydrophobicContact CE1-CE1 4.12Å; Y138-F170 HydrophobicContact CE1-CZ 4.43Å; Y138-W177 HydrophobicContact CE1-CB 4.47Å; Y138-I181 HydrophobicContact CD1-CD1 3.69Å; Y138-I181 HydrophobicContact CD1-CG1 4.36Å; Y138-I181 HydrophobicContact CG-CD1 4.24Å |
| 139 | A | 94.1 | Very high | 91 | Very high | 19 Ų | 19 | 44 Ų | 44 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | S137 L141 I142 C143 F191 | S137-A139 PolarHBondContact O-N 2.87Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.03Å; A139-I142 PolarHBondContact O-N 3.39Å; A139-I142 VanDerWaalsContact O-N 3.16Å; A139-C143 PolarHBondContact O-N 2.89Å; A139-C143 PolarHBondContact O-SG 2.77Å; A139-F191 HydrophobicContact CB-CE2 4.32Å; A139-F191 HydrophobicContact CB-CZ 4.49Å |
| 140 | T | 93 | Very high | 91 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 176.7 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | Y136 S137 I142 C143 M144 A221 | Y136-T140 HydrophobicContact CD1-CG2 3.87Å; Y136-T140 HydrophobicContact CG-CG2 4.38Å; S137-T140 WeakPolarHBondContact O-CA 3.46Å; S137-T140 WeakPolarHBondContact O-CB 3.31Å; S137-T140 PolarHBondContact O-N 3Å; S137-T140 PolarHBondContact OG-N 3.24Å; S137-T140 VanDerWaalsContact OG-N 3.11Å; S137-T140 PolarHBondContact OG-OG1 3.36Å; T140-I142 PolarHBondContact O-N 3.15Å; T140-C143 PolarHBondContact O-N 2.98Å; T140-M144 HydrophobicContact CG2-CE 4.17Å; T140-M144 WeakPolarHBondContact O-CG 3.5Å; T140-M144 PolarHBondContact O-N 3.47Å; T140-A221 HydrophobicContact CG2-CB 4.43Å; T140-A221 WeakPolarHBondContact CG2-O 3.19Å; T140-A221 PolarHBondContact OG1-O 3.16Å; T140-A221 VanDerWaalsContact OG1-O 3.06Å |
| 141 | L | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 177.4 | -67.8 | 172.5 | 0 | 0 | 0 | 112.1 | Y136 S137 Y138 A139 C143 M144 A145 W162 I163 F167 F170 | Y136-L141 HydrophobicContact CD2-CD2 4.41Å; S137-L141 WeakPolarHBondContact O-CG 3.35Å; S137-L141 PolarHBondContact O-N 3.28Å; Y138-L141 HydrophobicContact CD1-CD1 4.05Å; Y138-L141 PolarHBondContact O-N 3.04Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.03Å; L141-C143 VanDerWaalsContact C-N 3.31Å; L141-C143 PolarHBondContact O-N 2.88Å; L141-M144 HydrophobicContact CD2-CE 3.69Å; L141-M144 HydrophobicContact CG-CE 4.47Å; L141-M144 PolarHBondContact O-N 3.03Å; L141-A145 PolarHBondContact O-N 3.4Å; L141-A145 VanDerWaalsContact O-N 3.09Å; L141-W162 WeakPolarHBondContact O-CZ3 3.44Å; L141-I163 HydrophobicContact CB-CD1 4Å; L141-I163 HydrophobicContact CB-CG1 4.25Å; L141-F167 HydrophobicContact CD2-CD2 3.72Å; L141-F167 HydrophobicContact CD2-CE2 3.25Å; L141-F167 HydrophobicContact CD2-CZ 3.8Å; L141-F170 HydrophobicContact CD1-CE2 3.84Å; L141-F170 HydrophobicContact CD1-CZ 3.75Å |
| 142 | I | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.7 | -67 | 160.2 | 0 | 0 | 0 | 110.4 | Y138 A139 T140 A145 M146 I159 I181 N184 L185 F191 | Y138-I142 WeakPolarHBondContact O-CD1 3.29Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.49Å; Y138-I142 PolarHBondContact O-N 2.85Å; A139-I142 PolarHBondContact O-N 3.39Å; A139-I142 VanDerWaalsContact O-N 3.16Å; T140-I142 PolarHBondContact O-N 3.15Å; I142-A145 WeakPolarHBondContact O-CB 3.5Å; I142-A145 PolarHBondContact O-N 3.36Å; I142-M146 HydrophobicContact CG2-CE 3.74Å; I142-M146 HydrophobicContact CG2-SD 3.95Å; I142-M146 WeakPolarHBondContact O-CG 3.32Å; I142-M146 PolarHBondContact O-N 3.25Å; I142-I159 HydrophobicContact CG1-CG2 4.12Å; I142-I159 HydrophobicContact CG2-CD1 4.21Å; I142-I181 HydrophobicContact CD1-CD1 4.39Å; I142-I181 HydrophobicContact CD1-CG2 4.37Å; I142-I181 HydrophobicContact CG1-CD1 4.17Å; I142-I181 HydrophobicContact CG1-CG2 4.39Å; I142-N184 HydrophobicContact CD1-CB 3.95Å; I142-L185 HydrophobicContact CD1-CD2 3.95Å; I142-L185 HydrophobicContact CD1-CG 3.95Å; I142-L185 HydrophobicContact CG1-CD2 4.45Å; I142-L185 HydrophobicContact CG2-CD2 3.82Å; I142-F191 HydrophobicContact CB-CE1 4.17Å; I142-F191 HydrophobicContact CB-CE2 4.3Å; I142-F191 HydrophobicContact CB-CZ 3.77Å; I142-F191 HydrophobicContact CD1-CE2 3.99Å; I142-F191 HydrophobicContact CD1-CZ 4.34Å; I142-F191 HydrophobicContact CG2-CD1 3.95Å; I142-F191 HydrophobicContact CG2-CE1 3.45Å; I142-F191 VanDerWaalsContact CG2-CE1 3.45Å; I142-F191 HydrophobicContact CG2-CE2 4.11Å; I142-F191 HydrophobicContact CG2-CG 4.46Å; I142-F191 HydrophobicContact CG2-CZ 3.54Å |
| 143 | C | 92.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | A139 T140 L141 A145 M146 E147 L217 | A139-C143 PolarHBondContact O-N 2.89Å; A139-C143 PolarHBondContact O-SG 2.77Å; T140-C143 PolarHBondContact O-N 2.98Å; L141-C143 VanDerWaalsContact C-N 3.31Å; L141-C143 PolarHBondContact O-N 2.88Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.43Å; C143-M146 PolarHBondContact O-N 3.39Å; C143-M146 VanDerWaalsContact O-N 3.15Å; C143-E147 WeakPolarHBondContact O-CB 3.48Å; C143-E147 PolarHBondContact O-N 3.04Å; C143-L217 HydrophobicContact CB-CD2 3.6Å; C143-L217 WeakPolarHBondContact SG-CD1 3.24Å; C143-L217 WeakPolarHBondContact SG-CD2 3.32Å |
| 144 | M | 93.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 14% | 0.138 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -37 | 176.5 | -67 | -175.4 | -65.6 | 0 | 0 | 111.7 | Y136 T140 L141 E147 A148 W162 F167 F222 | Y136-M144 HydrophobicContact CD1-CE 4.34Å; Y136-M144 HydrophobicContact CD2-CE 3.99Å; Y136-M144 HydrophobicContact CE2-CE 4.43Å; Y136-M144 HydrophobicContact CG-CE 3.95Å; T140-M144 HydrophobicContact CG2-CE 4.17Å; T140-M144 WeakPolarHBondContact O-CG 3.5Å; T140-M144 PolarHBondContact O-N 3.47Å; L141-M144 HydrophobicContact CD2-CE 3.69Å; L141-M144 HydrophobicContact CG-CE 4.47Å; L141-M144 PolarHBondContact O-N 3.03Å; M144-E147 PolarHBondContact O-N 3.09Å; M144-A148 VanDerWaalsContact O-CB 3.31Å; M144-A148 WeakPolarHBondContact O-CB 3.33Å; M144-A148 PolarHBondContact O-N 2.98Å; M144-W162 HydrophobicContact CB-CH2 3.19Å; M144-W162 HydrophobicContact CB-CZ2 3.77Å; M144-W162 HydrophobicContact CB-CZ3 3.79Å; M144-W162 HydrophobicContact CE-CH2 4.16Å; M144-W162 HydrophobicContact CE-CZ3 4.44Å; M144-W162 HydrophobicContact CG-CH2 4.3Å; M144-W162 HydrophobicContact SD-CH2 4.35Å; M144-F167 HydrophobicContact CE-CE2 4.05Å; M144-F167 HydrophobicContact CE-CZ 3.82Å; M144-F222 HydrophobicContact CG-CE1 3.97Å |
| 145 | A | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 I142 C143 S149 I154 W162 | L141-A145 PolarHBondContact O-N 3.4Å; L141-A145 VanDerWaalsContact O-N 3.09Å; I142-A145 WeakPolarHBondContact O-CB 3.5Å; I142-A145 PolarHBondContact O-N 3.36Å; C143-A145 VanDerWaalsContact C-N 3.26Å; C143-A145 PolarHBondContact O-N 3.43Å; A145-S149 PolarHBondContact O-N 3.31Å; A145-I154 HydrophobicContact CB-CD1 4.27Å; A145-W162 VanDerWaalsContact CA-CD2 3.44Å; A145-W162 HydrophobicContact CB-CB 3.96Å; A145-W162 HydrophobicContact CB-CD2 3.6Å; A145-W162 HydrophobicContact CB-CE3 3.46Å; A145-W162 VanDerWaalsContact CB-CE3 3.46Å; A145-W162 HydrophobicContact CB-CG 3.8Å; A145-W162 HydrophobicContact CB-CZ3 4.21Å |
| 146 | M | 93.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 177.5 | -74.9 | 172.5 | 171 | 0 | 0 | 111.5 | I142 C143 S149 I154 F191 W207 I209 | I142-M146 HydrophobicContact CG2-CE 3.74Å; I142-M146 HydrophobicContact CG2-SD 3.95Å; I142-M146 WeakPolarHBondContact O-CG 3.32Å; I142-M146 PolarHBondContact O-N 3.25Å; C143-M146 PolarHBondContact O-N 3.39Å; C143-M146 VanDerWaalsContact O-N 3.15Å; M146-S149 WeakPolarHBondContact O-CB 3.3Å; M146-S149 PolarHBondContact O-N 2.94Å; M146-I154 HydrophobicContact CE-CG2 3.62Å; M146-I154 HydrophobicContact CG-CB 4.4Å; M146-I154 HydrophobicContact CG-CG2 3.54Å; M146-I154 HydrophobicContact SD-CG2 4.42Å; M146-F191 HydrophobicContact CE-CD1 3.85Å; M146-F191 HydrophobicContact CE-CE1 4.29Å; M146-F191 HydrophobicContact SD-CD1 3.97Å; M146-F191 HydrophobicContact SD-CE1 3.95Å; M146-W207 HydrophobicContact CE-CB 3.78Å; M146-I209 HydrophobicContact CB-CD1 4.21Å; M146-I209 HydrophobicContact CB-CG1 4.5Å; M146-I209 HydrophobicContact SD-CD1 3.93Å; M146-I209 HydrophobicContact SD-CG1 3.33Å; M146-I209 WeakPolarHBondContact SD-CG1 3.44Å |
| 147 | E | 90.7 | Very high | 92.7 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 178.1 | -171.4 | 176 | -178.4 | 0 | 0 | 111.8 | C143 M144 S149 K150 M218 F222 | C143-E147 WeakPolarHBondContact O-CB 3.48Å; C143-E147 PolarHBondContact O-N 3.04Å; M144-E147 PolarHBondContact O-N 3.09Å; E147-S149 VanDerWaalsContact C-N 3.29Å; E147-S149 PolarHBondContact O-N 3.28Å; E147-K150 PolarHBondContact O-N 2.73Å; E147-M218 WeakPolarHBondContact OE2-CE 3.42Å; E147-F222 WeakPolarHBondContact OE2-CZ 3.41Å |
| 148 | A | 91.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 45% | 0.446 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -27.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | M144 K150 W162 | M144-A148 VanDerWaalsContact O-CB 3.31Å; M144-A148 WeakPolarHBondContact O-CB 3.33Å; M144-A148 PolarHBondContact O-N 2.98Å; A148-K150 PolarHBondContact O-N 3Å; A148-W162 HydrophobicContact CB-CZ2 4.36Å |
| 149 | S | 87.8 | Confident | 92.9 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.1 | -179.5 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | A145 M146 E147 K151 | A145-S149 PolarHBondContact O-N 3.31Å; M146-S149 WeakPolarHBondContact O-CB 3.3Å; M146-S149 PolarHBondContact O-N 2.94Å; E147-S149 VanDerWaalsContact C-N 3.29Å; E147-S149 PolarHBondContact O-N 3.28Å; S149-K151 WeakPolarHBondContact O-CG 3.08Å; S149-K151 PolarHBondContact O-N 3.48Å |
| 150 | K | 85.9 | Confident | 93.1 | Very high | 199 Ų | 199 | 48.5 Ų | 48.5 | 87% | 0.865 | 26% | 0.261 | S | S | * | . | trans | 53.8 | 4.7 | -171.4 | -57.4 | -177.6 | -179.9 | -178.5 | 0 | 114.7 | E147 A148 | E147-K150 PolarHBondContact O-N 2.73Å; A148-K150 PolarHBondContact O-N 3Å | ||
| 151 | K | 85.9 | Confident | 93.3 | Very high | 153 Ų | 153 | 54.4 Ų | 54.4 | 67% | 0.665 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -99.4 | 148.4 | 178.8 | -66.9 | 172.7 | -175 | 179 | 0 | 109.2 | S149 K153 | S149-K151 WeakPolarHBondContact O-CG 3.08Å; S149-K151 PolarHBondContact O-N 3.48Å; K151-K153 PolarHBondContact O-N 3.16Å |
| 152 | T | 87.6 | Confident | 93.3 | Very high | 131 Ų | 131 | 56.6 Ų | 56.6 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -67.3 | -22 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | K208 | T152-K208 WeakPolarHBondContact O-CB 3.44Š|
| 153 | K | 92.7 | Very high | 93.4 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | trans | -138 | 143.6 | -177.5 | 69.1 | -175.8 | -179 | 177.5 | 0 | 110.5 | K151 E200 F206 W207 | K151-K153 PolarHBondContact O-N 3.16Å; K153-E200 IonicContact NZ-OE1 3.07Å; K153-E200 PolarHBondContact NZ-OE1 3.14Å; K153-E200 VanDerWaalsContact NZ-OE1 3.07Å; K153-E200 IonicContact NZ-OE2 2.87Å; K153-E200 PolarHBondContact NZ-OE2 3.32Å; K153-F206 HydrophobicContact CB-CB 4.01Å; K153-F206 HydrophobicContact CB-CD1 4.27Å; K153-F206 HydrophobicContact CB-CG 4.31Å; K153-F206 HydrophobicContact CD-CB 4.11Å; K153-F206 HydrophobicContact CD-CD1 3.95Å; K153-F206 HydrophobicContact CD-CD2 3.9Å; K153-F206 HydrophobicContact CD-CE1 4.29Å; K153-F206 HydrophobicContact CD-CE2 4.25Å; K153-F206 HydrophobicContact CD-CG 3.74Å; K153-F206 HydrophobicContact CD-CZ 4.42Å; K153-F206 HydrophobicContact CG-CB 4.22Å; K153-F206 HydrophobicContact CG-CD1 3.77Å; K153-F206 HydrophobicContact CG-CE1 4.23Å; K153-F206 HydrophobicContact CG-CG 3.97Å; K153-W207 WeakPolarHBondContact CA-O 3.31Å | ||
| 154 | I | 95.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 150.5 | -179.6 | -165.1 | 168.5 | 0 | 0 | 0 | 110.9 | A145 M146 A158 I159 F206 W207 | A145-I154 HydrophobicContact CB-CD1 4.27Å; M146-I154 HydrophobicContact CE-CG2 3.62Å; M146-I154 HydrophobicContact CG-CB 4.4Å; M146-I154 HydrophobicContact CG-CG2 3.54Å; M146-I154 HydrophobicContact SD-CG2 4.42Å; I154-A158 HydrophobicContact CD1-CB 4.02Å; I154-A158 HydrophobicContact CG1-CB 3.61Å; I154-I159 HydrophobicContact CD1-CG1 3.93Å; I154-I159 HydrophobicContact CG1-CG1 4.19Å; I154-I159 HydrophobicContact CG2-CD1 3.92Å; I154-I159 HydrophobicContact CG2-CG1 3.88Å; I154-F206 CarbonylContact O-C 3.57Å; I154-F206 WeakPolarHBondContact O-CA 3.47Å; I154-W207 HydrophobicContact CG2-CB 4.41Å; I154-W207 PolarHBondContact N-O 2.91Å; I154-W207 PolarHBondContact O-N 2.98Å |
| 155 | T | 96.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 157.2 | 173.9 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | S157 A158 I159 F206 | T155-S157 VanDerWaalsContact C-N 3.26Å; T155-S157 PolarHBondContact O-N 2.88Å; T155-S157 PolarHBondContact OG1-OG 2.77Å; T155-A158 PolarHBondContact O-N 3.19Å; T155-A158 VanDerWaalsContact O-N 3.14Å; T155-A158 WeakPolarHBondContact OG1-CB 3.28Å; T155-A158 PolarHBondContact OG1-N 3.02Å; T155-I159 WeakPolarHBondContact O-CG1 3.15Å; T155-I159 PolarHBondContact O-N 2.96Å; T155-I159 VanDerWaalsContact O-N 3.12Å; T155-F206 HydrophobicContact CG2-CD1 3.66Å; T155-F206 HydrophobicContact CG2-CE1 3.53Å; T155-F206 HydrophobicContact CG2-CZ 4.42Å |
| 156 | L | 96.6 | Very high | 93.5 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.5 | -41.5 | 173.5 | -179.7 | 62.8 | 0 | 0 | 0 | 112.3 | A158 I159 Y160 I181 R182 L185 | L156-A158 VanDerWaalsContact C-N 3.32Å; L156-A158 PolarHBondContact O-N 3.09Å; L156-I159 WeakPolarHBondContact O-CB 3.45Å; L156-I159 PolarHBondContact O-N 3Å; L156-Y160 HydrophobicContact CD1-CD1 4.44Å; L156-Y160 HydrophobicContact CD1-CE1 3.67Å; L156-Y160 HydrophobicContact CD1-CE2 4.16Å; L156-Y160 HydrophobicContact CD2-CE2 4.09Å; L156-Y160 HydrophobicContact CG-CD2 4.41Å; L156-Y160 HydrophobicContact CG-CE1 4.14Å; L156-Y160 HydrophobicContact CG-CE2 3.68Å; L156-Y160 PolarHBondContact O-N 3.28Å; L156-Y160 VanDerWaalsContact O-N 3.11Å; L156-I181 HydrophobicContact CD1-CG2 4.1Å; L156-R182 HydrophobicContact CD1-CG 4.18Å; L156-R182 HydrophobicContact CD2-CG 3.9Å; L156-L185 HydrophobicContact CD1-CD1 3.53Å |
| 157 | S | 96.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.6 | -39.1 | 177 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | T155 Y160 K161 | T155-S157 VanDerWaalsContact C-N 3.26Å; T155-S157 PolarHBondContact O-N 2.88Å; T155-S157 PolarHBondContact OG1-OG 2.77Å; S157-Y160 PolarHBondContact O-N 3.13Å; S157-K161 PolarHBondContact O-N 2.83Å |
| 158 | A | 96.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I154 T155 L156 K161 W162 | I154-A158 HydrophobicContact CD1-CB 4.02Å; I154-A158 HydrophobicContact CG1-CB 3.61Å; T155-A158 PolarHBondContact O-N 3.19Å; T155-A158 VanDerWaalsContact O-N 3.14Å; T155-A158 WeakPolarHBondContact OG1-CB 3.28Å; T155-A158 PolarHBondContact OG1-N 3.02Å; L156-A158 VanDerWaalsContact C-N 3.32Å; L156-A158 PolarHBondContact O-N 3.09Å; A158-K161 PolarHBondContact O-N 3.19Å; A158-W162 WeakPolarHBondContact O-CB 3.33Å; A158-W162 PolarHBondContact O-N 3.47Å |
| 159 | I | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 172.8 | -63.1 | 167 | 0 | 0 | 0 | 110.2 | I142 I154 T155 L156 K161 W162 I163 I181 L185 | I142-I159 HydrophobicContact CG1-CG2 4.12Å; I142-I159 HydrophobicContact CG2-CD1 4.21Å; I154-I159 HydrophobicContact CD1-CG1 3.93Å; I154-I159 HydrophobicContact CG1-CG1 4.19Å; I154-I159 HydrophobicContact CG2-CD1 3.92Å; I154-I159 HydrophobicContact CG2-CG1 3.88Å; T155-I159 WeakPolarHBondContact O-CG1 3.15Å; T155-I159 PolarHBondContact O-N 2.96Å; T155-I159 VanDerWaalsContact O-N 3.12Å; L156-I159 WeakPolarHBondContact O-CB 3.45Å; L156-I159 PolarHBondContact O-N 3Å; I159-K161 PolarHBondContact O-N 3.48Å; I159-W162 PolarHBondContact O-N 3.09Å; I159-I163 HydrophobicContact CG2-CD1 3.79Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.29Å; I159-I163 WeakPolarHBondContact O-CG1 3.21Å; I159-I163 PolarHBondContact O-N 2.94Å; I159-I181 HydrophobicContact CG2-CG2 4Å; I159-L185 HydrophobicContact CD1-CD1 4.01Å; I159-L185 HydrophobicContact CD1-CD2 4.07Å |
| 160 | Y | 96.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 177.5 | -61.5 | -27.2 | 0 | 0 | 0 | 111.7 | L156 S157 W162 I163 T164 W177 Q178 I181 R182 | L156-Y160 HydrophobicContact CD1-CD1 4.44Å; L156-Y160 HydrophobicContact CD1-CE1 3.67Å; L156-Y160 HydrophobicContact CD1-CE2 4.16Å; L156-Y160 HydrophobicContact CD2-CE2 4.09Å; L156-Y160 HydrophobicContact CG-CD2 4.41Å; L156-Y160 HydrophobicContact CG-CE1 4.14Å; L156-Y160 HydrophobicContact CG-CE2 3.68Å; L156-Y160 PolarHBondContact O-N 3.28Å; L156-Y160 VanDerWaalsContact O-N 3.11Å; S157-Y160 PolarHBondContact O-N 3.13Å; Y160-W162 PolarHBondContact O-N 3.48Å; Y160-I163 PolarHBondContact O-N 2.75Å; Y160-T164 PolarHBondContact O-N 2.9Å; Y160-T164 PolarHBondContact O-OG1 3.29Å; Y160-T164 VanDerWaalsContact O-OG1 3.13Å; Y160-W177 HydrophobicContact CD1-CH2 4.1Å; Y160-W177 AromaticContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CG-CH2 4.44Å; Y160-Q178 HydrophobicContact CD1-CB 4.5Å; Y160-Q178 HydrophobicContact CD1-CG 4.28Å; Y160-Q178 HydrophobicContact CE1-CB 3.85Å; Y160-Q178 HydrophobicContact CE1-CG 4.12Å; Y160-Q178 PolarHBondContact OH-O 3.47Å; Y160-I181 HydrophobicContact CD1-CG2 4.26Å; Y160-I181 HydrophobicContact CE1-CB 3.93Å; Y160-I181 HydrophobicContact CE1-CG1 4.46Å; Y160-I181 HydrophobicContact CE1-CG2 3.72Å; Y160-R182 WeakPolarHBondContact OH-CG 3.47Å; Y160-R182 PolarHBondContact OH-NH1 3.03Å; Y160-R182 VanDerWaalsContact OH-NH1 3.13Å |
| 161 | K | 96.9 | Very high | 94.6 | Very high | 137 Ų | 137 | 53 Ų | 53 | 60% | 0.596 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.2 | -48.1 | 178.9 | 178.2 | 167.5 | -179.4 | 160.2 | 0 | 111.7 | S157 A158 I159 I163 T164 D165 | S157-K161 PolarHBondContact O-N 2.83Å; A158-K161 PolarHBondContact O-N 3.19Å; I159-K161 PolarHBondContact O-N 3.48Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.11Å; K161-T164 WeakPolarHBondContact CA-OG1 3.4Å; K161-T164 PolarHBondContact O-N 2.97Å; K161-T164 PolarHBondContact O-OG1 3.33Å; K161-D165 WeakPolarHBondContact CE-OD2 3.28Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.5Å; K161-D165 VanDerWaalsContact O-CB 3.29Å; K161-D165 WeakPolarHBondContact O-CB 3.29Å; K161-D165 PolarHBondContact O-N 3.27Å |
| 162 | W | 96.4 | Very high | 94.8 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | -179.7 | -175.6 | 92.5 | 0 | 0 | 0 | 112 | L141 M144 A145 A148 A158 I159 Y160 D165 N166 F167 | L141-W162 WeakPolarHBondContact O-CZ3 3.44Å; M144-W162 HydrophobicContact CB-CH2 3.19Å; M144-W162 HydrophobicContact CB-CZ2 3.77Å; M144-W162 HydrophobicContact CB-CZ3 3.79Å; M144-W162 HydrophobicContact CE-CH2 4.16Å; M144-W162 HydrophobicContact CE-CZ3 4.44Å; M144-W162 HydrophobicContact CG-CH2 4.3Å; M144-W162 HydrophobicContact SD-CH2 4.35Å; A145-W162 VanDerWaalsContact CA-CD2 3.44Å; A145-W162 HydrophobicContact CB-CB 3.96Å; A145-W162 HydrophobicContact CB-CD2 3.6Å; A145-W162 HydrophobicContact CB-CE3 3.46Å; A145-W162 VanDerWaalsContact CB-CE3 3.46Å; A145-W162 HydrophobicContact CB-CG 3.8Å; A145-W162 HydrophobicContact CB-CZ3 4.21Å; A148-W162 HydrophobicContact CB-CZ2 4.36Å; A158-W162 WeakPolarHBondContact O-CB 3.33Å; A158-W162 PolarHBondContact O-N 3.47Å; I159-W162 PolarHBondContact O-N 3.09Å; Y160-W162 PolarHBondContact O-N 3.48Å; W162-D165 PolarHBondContact O-N 3.5Å; W162-N166 HydrophobicContact CH2-CB 4.36Å; W162-N166 HydrophobicContact CZ2-CB 4.33Å; W162-N166 PolarHBondContact NE1-ND2 3.01Å; W162-N166 VanDerWaalsContact NE1-ND2 3.18Å; W162-N166 WeakPolarHBondContact O-CB 3.47Å; W162-N166 PolarHBondContact O-N 3.16Å; W162-N166 PolarHBondContact O-ND2 2.78Å; W162-F167 AromaticContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CZ3-CD2 4.44Å; W162-F167 AromaticContact CZ3-CE2 3.75Å; W162-F167 HydrophobicContact CZ3-CE2 3.75Å |
| 163 | I | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 178.7 | -68 | 172.1 | 0 | 0 | 0 | 110.6 | L141 I159 Y160 K161 D165 N166 F167 F170 W177 I181 | L141-I163 HydrophobicContact CB-CD1 4Å; L141-I163 HydrophobicContact CB-CG1 4.25Å; I159-I163 HydrophobicContact CG2-CD1 3.79Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.29Å; I159-I163 WeakPolarHBondContact O-CG1 3.21Å; I159-I163 PolarHBondContact O-N 2.94Å; Y160-I163 PolarHBondContact O-N 2.75Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 PolarHBondContact O-N 3.11Å; I163-D165 VanDerWaalsContact C-N 3.32Å; I163-D165 PolarHBondContact O-N 3.05Å; I163-N166 PolarHBondContact O-N 2.99Å; I163-F167 HydrophobicContact CG2-CD2 4.42Å; I163-F167 WeakPolarHBondContact O-CB 3.45Å; I163-F167 PolarHBondContact O-N 3.11Å; I163-F170 HydrophobicContact CG2-CB 3.89Å; I163-F170 HydrophobicContact CG2-CD1 4.43Å; I163-F170 HydrophobicContact CG2-CD2 3.45Å; I163-F170 VanDerWaalsContact CG2-CD2 3.45Å; I163-F170 HydrophobicContact CG2-CE2 4.04Å; I163-F170 HydrophobicContact CG2-CG 3.68Å; I163-W177 HydrophobicContact CB-CZ3 4.39Å; I163-W177 HydrophobicContact CD1-CZ3 4.26Å; I163-W177 HydrophobicContact CG2-CH2 4.41Å; I163-W177 HydrophobicContact CG2-CZ3 4.15Å; I163-I181 HydrophobicContact CD1-CD1 3.53Å; I163-I181 HydrophobicContact CD1-CG1 4.17Å |
| 164 | T | 95.6 | Very high | 95 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 178.1 | 52 | 0 | 0 | 0 | 0 | 111.8 | Y160 K161 R171 W177 | Y160-T164 PolarHBondContact O-N 2.9Å; Y160-T164 PolarHBondContact O-OG1 3.29Å; Y160-T164 VanDerWaalsContact O-OG1 3.13Å; K161-T164 WeakPolarHBondContact CA-OG1 3.4Å; K161-T164 PolarHBondContact O-N 2.97Å; K161-T164 PolarHBondContact O-OG1 3.33Å; T164-R171 VanDerWaalsContact O-CG 3.28Å; T164-R171 WeakPolarHBondContact O-CG 3.44Å; T164-R171 PolarHBondContact O-NE 3.3Å; T164-W177 HydrophobicContact CG2-CH2 3.97Å; T164-W177 HydrophobicContact CG2-CZ2 3.74Å |
| 165 | D | 94.9 | Very high | 94.9 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.2 | -36 | -178.9 | -68.8 | -6.7 | 0 | 0 | 0 | 111.5 | K161 W162 I163 R171 | K161-D165 WeakPolarHBondContact CE-OD2 3.28Å; K161-D165 VanDerWaalsContact CG-OD2 3.3Å; K161-D165 WeakPolarHBondContact CG-OD2 3.5Å; K161-D165 VanDerWaalsContact O-CB 3.29Å; K161-D165 WeakPolarHBondContact O-CB 3.29Å; K161-D165 PolarHBondContact O-N 3.27Å; W162-D165 PolarHBondContact O-N 3.5Å; I163-D165 VanDerWaalsContact C-N 3.32Å; I163-D165 PolarHBondContact O-N 3.05Å; D165-R171 PolarHBondContact O-NH2 3.01Å |
| 166 | N | 93.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -94 | -18.8 | -175.9 | -71.3 | -85.9 | 0 | 0 | 0 | 114.7 | K127 W162 I163 | K127-N166 VanDerWaalsContact CG-O 3.31Å; K127-N166 WeakPolarHBondContact CG-O 3.43Å; W162-N166 HydrophobicContact CH2-CB 4.36Å; W162-N166 HydrophobicContact CZ2-CB 4.33Å; W162-N166 PolarHBondContact NE1-ND2 3.01Å; W162-N166 VanDerWaalsContact NE1-ND2 3.18Å; W162-N166 WeakPolarHBondContact O-CB 3.47Å; W162-N166 PolarHBondContact O-N 3.16Å; W162-N166 PolarHBondContact O-ND2 2.78Å; I163-N166 PolarHBondContact O-N 2.99Å |
| 167 | F | 94.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | trans | -134.6 | 104.6 | -174.8 | -61.8 | -68.4 | 0 | 0 | 0 | 110.6 | Y126 P134 Y136 L141 M144 W162 I163 Y169 F170 | Y126-F167 WeakPolarHBondContact O-CA 3.49Å; P134-F167 HydrophobicContact CB-CD1 3.78Å; P134-F167 HydrophobicContact CB-CE1 3.83Å; P134-F167 HydrophobicContact CB-CG 4.49Å; P134-F167 HydrophobicContact CG-CB 3.93Å; P134-F167 HydrophobicContact CG-CD1 3.21Å; P134-F167 HydrophobicContact CG-CE1 3.82Å; P134-F167 HydrophobicContact CG-CG 3.68Å; Y136-F167 AromaticContact CD2-CE1 3.96Å; Y136-F167 HydrophobicContact CD2-CE1 3.96Å; Y136-F167 AromaticContact CD2-CZ 3.86Å; Y136-F167 HydrophobicContact CD2-CZ 3.86Å; Y136-F167 AromaticContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CE1 3.92Å; Y136-F167 HydrophobicContact CE2-CZ 4Å; L141-F167 HydrophobicContact CD2-CD2 3.72Å; L141-F167 HydrophobicContact CD2-CE2 3.25Å; L141-F167 HydrophobicContact CD2-CZ 3.8Å; M144-F167 HydrophobicContact CE-CE2 4.05Å; M144-F167 HydrophobicContact CE-CZ 3.82Å; W162-F167 AromaticContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CH2-CE2 3.9Å; W162-F167 HydrophobicContact CZ3-CD2 4.44Å; W162-F167 AromaticContact CZ3-CE2 3.75Å; W162-F167 HydrophobicContact CZ3-CE2 3.75Å; I163-F167 HydrophobicContact CG2-CD2 4.42Å; I163-F167 WeakPolarHBondContact O-CB 3.45Å; I163-F167 PolarHBondContact O-N 3.11Å; F167-Y169 PolarHBondContact O-N 2.97Å; F167-F170 HydrophobicContact CB-CD2 3.65Å; F167-F170 HydrophobicContact CB-CE2 4.17Å; F167-F170 HydrophobicContact CG-CD2 4.39Å; F167-F170 PolarHBondContact O-N 2.96Å; F167-F170 VanDerWaalsContact O-N 3.09Å | ||
| 168 | C | 93.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.2 | -174.5 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | Y126 K127 T128 F170 R171 | Y126-C168 PolarHBondContact O-N 3.19Å; K127-C168 WeakPolarHBondContact O-CB 3.49Å; T128-C168 PolarHBondContact O-SG 3.42Å; C168-F170 PolarHBondContact O-N 3.19Å; C168-F170 VanDerWaalsContact O-N 3.16Å; C168-R171 WeakPolarHBondContact O-CB 3.32Å; C168-R171 PolarHBondContact O-N 2.97Å |
| 169 | Y | 94.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 28% | 0.275 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -47.5 | -44.2 | 174.9 | 174.9 | -91.3 | 0 | 0 | 0 | 113.3 | P130 K133 F167 R171 H172 A173 | P130-Y169 WeakPolarHBondContact O-CA 3.47Å; P130-Y169 WeakPolarHBondContact O-CD2 3.17Å; K133-Y169 HydrophobicContact CB-CD1 4.36Å; K133-Y169 HydrophobicContact CB-CD2 4.08Å; K133-Y169 HydrophobicContact CB-CE1 4.25Å; K133-Y169 HydrophobicContact CB-CE2 3.93Å; K133-Y169 HydrophobicContact CB-CG 4.29Å; K133-Y169 HydrophobicContact CD-CE1 4.18Å; K133-Y169 HydrophobicContact CG-CD1 4.17Å; K133-Y169 HydrophobicContact CG-CE1 3.95Å; K133-Y169 HydrophobicContact CG-CE2 4.49Å; F167-Y169 PolarHBondContact O-N 2.97Å; Y169-R171 VanDerWaalsContact C-N 3.29Å; Y169-R171 PolarHBondContact O-N 2.82Å; Y169-H172 PolarHBondContact O-N 3.33Å; Y169-A173 HydrophobicContact CD1-CB 4.36Å; Y169-A173 HydrophobicContact CE1-CB 3.95Å; Y169-A173 VanDerWaalsContact O-CB 3.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.16Å; Y169-A173 PolarHBondContact O-N 2.66Å; Y169-A173 VanDerWaalsContact O-N 3.12Å |
| 170 | F | 94.6 | Very high | 95 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79 | -10 | -175.7 | -65.3 | -74.4 | 0 | 0 | 0 | 114 | P134 Y138 L141 I163 F167 C168 W177 | P134-F170 HydrophobicContact CG-CE2 4.05Å; Y138-F170 HydrophobicContact CE1-CE1 4.12Å; Y138-F170 HydrophobicContact CE1-CZ 4.43Å; L141-F170 HydrophobicContact CD1-CE2 3.84Å; L141-F170 HydrophobicContact CD1-CZ 3.75Å; I163-F170 HydrophobicContact CG2-CB 3.89Å; I163-F170 HydrophobicContact CG2-CD1 4.43Å; I163-F170 HydrophobicContact CG2-CD2 3.45Å; I163-F170 VanDerWaalsContact CG2-CD2 3.45Å; I163-F170 HydrophobicContact CG2-CE2 4.04Å; I163-F170 HydrophobicContact CG2-CG 3.68Å; F167-F170 HydrophobicContact CB-CD2 3.65Å; F167-F170 HydrophobicContact CB-CE2 4.17Å; F167-F170 HydrophobicContact CG-CD2 4.39Å; F167-F170 PolarHBondContact O-N 2.96Å; F167-F170 VanDerWaalsContact O-N 3.09Å; C168-F170 PolarHBondContact O-N 3.19Å; C168-F170 VanDerWaalsContact O-N 3.16Å; F170-W177 HydrophobicContact CB-CZ2 4.29Å; F170-W177 HydrophobicContact CD1-CB 4.11Å; F170-W177 AromaticContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CE3 4.25Å; F170-W177 AromaticContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CE1-CB 4.24Å; F170-W177 HydrophobicContact CE1-CG 4.4Å; F170-W177 PolarHBondContact O-NE1 3.06Å |
| 171 | R | 94.1 | Very high | 95 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 47% | 0.468 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.4 | -33.8 | 173.5 | -59.8 | -179.5 | -174.1 | 166.7 | 3.9 | 112 | T164 D165 C168 Y169 | T164-R171 VanDerWaalsContact O-CG 3.28Å; T164-R171 WeakPolarHBondContact O-CG 3.44Å; T164-R171 PolarHBondContact O-NE 3.3Å; D165-R171 PolarHBondContact O-NH2 3.01Å; C168-R171 WeakPolarHBondContact O-CB 3.32Å; C168-R171 PolarHBondContact O-N 2.97Å; Y169-R171 VanDerWaalsContact C-N 3.29Å; Y169-R171 PolarHBondContact O-N 2.82Å |
| 172 | H | 90.4 | Very high | 95 | Very high | 141 Ų | 141 | 57.7 Ų | 57.7 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -110.1 | -5.4 | -175.8 | -56.2 | -66.1 | 0 | 0 | 0 | 113.3 | Y169 | Y169-H172 PolarHBondContact O-N 3.33Å |
| 173 | A | 92 | Very high | 95.1 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -76.3 | 152.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y169 | Y169-A173 HydrophobicContact CD1-CB 4.36Å; Y169-A173 HydrophobicContact CE1-CB 3.95Å; Y169-A173 VanDerWaalsContact O-CB 3.32Å; Y169-A173 WeakPolarHBondContact O-CB 3.16Å; Y169-A173 PolarHBondContact O-N 2.66Å; Y169-A173 VanDerWaalsContact O-N 3.12Å |
| 174 | D | 92.7 | Very high | 95.1 | Very high | 124 Ų | 124 | 61.7 Ų | 61.7 | 66% | 0.663 | 31% | 0.312 | S | S | * | . | trans | -56.6 | 140.6 | 178.6 | -59.3 | -46.5 | 0 | 0 | 0 | 112.4 | T176 W177 | D174-T176 PolarHBondContact O-N 3.09Å; D174-W177 PolarHBondContact O-N 3.42Å | ||
| 175 | P | 93.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 60.2 Ų | 60.2 | 60% | 0.597 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -12.1 | -178.9 | -26.4 | 34.1 | 0 | 0 | 0 | 115.7 | W177 Q178 | P175-W177 PolarHBondContact O-N 2.77Å; P175-W177 VanDerWaalsContact O-N 3.12Å; P175-Q178 VanDerWaalsContact O-CB 3.27Å; P175-Q178 WeakPolarHBondContact O-CB 3.26Å; P175-Q178 PolarHBondContact O-N 3.36Å |
| 176 | T | 95.9 | Very high | 95.2 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -49.1 | -32.4 | 171.5 | -52 | 0 | 0 | 0 | 0 | 113.5 | D174 Q178 N179 S180 | D174-T176 PolarHBondContact O-N 3.09Å; T176-Q178 PolarHBondContact O-N 3.12Å; T176-N179 WeakPolarHBondContact O-CB 3.44Å; T176-N179 PolarHBondContact O-N 3.28Å; T176-N179 VanDerWaalsContact O-N 3.14Å; T176-S180 PolarHBondContact O-N 2.94Å |
| 177 | W | 96.1 | Very high | 95.3 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -31.7 | 176.1 | 71.1 | -103.3 | 0 | 0 | 0 | 112.3 | Y138 Y160 I163 T164 F170 D174 P175 N179 S180 I181 | Y138-W177 HydrophobicContact CE1-CB 4.47Å; Y160-W177 HydrophobicContact CD1-CH2 4.1Å; Y160-W177 AromaticContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CD1-CZ3 3.92Å; Y160-W177 HydrophobicContact CG-CH2 4.44Å; I163-W177 HydrophobicContact CB-CZ3 4.39Å; I163-W177 HydrophobicContact CD1-CZ3 4.26Å; I163-W177 HydrophobicContact CG2-CH2 4.41Å; I163-W177 HydrophobicContact CG2-CZ3 4.15Å; T164-W177 HydrophobicContact CG2-CH2 3.97Å; T164-W177 HydrophobicContact CG2-CZ2 3.74Å; F170-W177 HydrophobicContact CB-CZ2 4.29Å; F170-W177 HydrophobicContact CD1-CB 4.11Å; F170-W177 AromaticContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CD2 3.88Å; F170-W177 HydrophobicContact CD1-CE3 4.25Å; F170-W177 AromaticContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CD1-CG 3.8Å; F170-W177 HydrophobicContact CE1-CB 4.24Å; F170-W177 HydrophobicContact CE1-CG 4.4Å; F170-W177 PolarHBondContact O-NE1 3.06Å; D174-W177 PolarHBondContact O-N 3.42Å; P175-W177 PolarHBondContact O-N 2.77Å; P175-W177 VanDerWaalsContact O-N 3.12Å; W177-N179 VanDerWaalsContact C-N 3.27Å; W177-N179 PolarHBondContact O-N 3.07Å; W177-S180 WeakPolarHBondContact O-CB 3.46Å; W177-S180 PolarHBondContact O-N 2.97Å; W177-S180 VanDerWaalsContact O-N 3.12Å; W177-I181 HydrophobicContact CE3-CG1 3.84Å; W177-I181 HydrophobicContact CZ3-CG1 3.98Å; W177-I181 PolarHBondContact O-N 3.11Å |
| 178 | Q | 97.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 65 Ų | 65 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.7 | -31.8 | 177 | -60.6 | -177.1 | 9.9 | 0 | 0 | 111.8 | Y160 P175 T176 I181 R182 | Y160-Q178 HydrophobicContact CD1-CB 4.5Å; Y160-Q178 HydrophobicContact CD1-CG 4.28Å; Y160-Q178 HydrophobicContact CE1-CB 3.85Å; Y160-Q178 HydrophobicContact CE1-CG 4.12Å; Y160-Q178 PolarHBondContact OH-O 3.47Å; P175-Q178 VanDerWaalsContact O-CB 3.27Å; P175-Q178 WeakPolarHBondContact O-CB 3.26Å; P175-Q178 PolarHBondContact O-N 3.36Å; T176-Q178 PolarHBondContact O-N 3.12Å; Q178-I181 PolarHBondContact O-N 3.38Å; Q178-R182 WeakPolarHBondContact O-CG 3.49Å; Q178-R182 PolarHBondContact O-N 3.27Å |
| 179 | N | 97.5 | Very high | 95.2 | Very high | 90 Ų | 90 | 72 Ų | 72 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 172.5 | -167.3 | 38.1 | 0 | 0 | 0 | 111 | T176 W177 I181 R182 H183 | T176-N179 WeakPolarHBondContact O-CB 3.44Å; T176-N179 PolarHBondContact O-N 3.28Å; T176-N179 VanDerWaalsContact O-N 3.14Å; W177-N179 VanDerWaalsContact C-N 3.27Å; W177-N179 PolarHBondContact O-N 3.07Å; N179-I181 VanDerWaalsContact C-N 3.26Å; N179-I181 PolarHBondContact O-N 3.13Å; N179-R182 PolarHBondContact O-N 3.4Å; N179-R182 PolarHBondContact OD1-NH2 3.31Å; N179-H183 WeakPolarHBondContact O-CB 3.11Å; N179-H183 PolarHBondContact O-N 2.85Å |
| 180 | S | 97.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 24% | 0.238 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | T176 W177 N184 | T176-S180 PolarHBondContact O-N 2.94Å; W177-S180 WeakPolarHBondContact O-CB 3.46Å; W177-S180 PolarHBondContact O-N 2.97Å; W177-S180 VanDerWaalsContact O-N 3.12Å; S180-N184 WeakPolarHBondContact O-CB 3.46Å; S180-N184 PolarHBondContact O-N 2.87Å; S180-N184 PolarHBondContact O-ND2 3.34Å |
| 181 | I | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 173.7 | -65.2 | -66.7 | 0 | 0 | 0 | 111.5 | Y138 I142 L156 I159 Y160 I163 W177 Q178 N179 H183 N184 L185 | Y138-I181 HydrophobicContact CD1-CD1 3.69Å; Y138-I181 HydrophobicContact CD1-CG1 4.36Å; Y138-I181 HydrophobicContact CG-CD1 4.24Å; I142-I181 HydrophobicContact CD1-CD1 4.39Å; I142-I181 HydrophobicContact CD1-CG2 4.37Å; I142-I181 HydrophobicContact CG1-CD1 4.17Å; I142-I181 HydrophobicContact CG1-CG2 4.39Å; L156-I181 HydrophobicContact CD1-CG2 4.1Å; I159-I181 HydrophobicContact CG2-CG2 4Å; Y160-I181 HydrophobicContact CD1-CG2 4.26Å; Y160-I181 HydrophobicContact CE1-CB 3.93Å; Y160-I181 HydrophobicContact CE1-CG1 4.46Å; Y160-I181 HydrophobicContact CE1-CG2 3.72Å; I163-I181 HydrophobicContact CD1-CD1 3.53Å; I163-I181 HydrophobicContact CD1-CG1 4.17Å; W177-I181 HydrophobicContact CE3-CG1 3.84Å; W177-I181 HydrophobicContact CZ3-CG1 3.98Å; W177-I181 PolarHBondContact O-N 3.11Å; Q178-I181 PolarHBondContact O-N 3.38Å; N179-I181 VanDerWaalsContact C-N 3.26Å; N179-I181 PolarHBondContact O-N 3.13Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.34Å; I181-N184 PolarHBondContact O-N 3.2Å; I181-L185 HydrophobicContact CG2-CD1 4.15Å; I181-L185 WeakPolarHBondContact O-CG 2.95Å; I181-L185 PolarHBondContact O-N 3.18Å |
| 182 | R | 97.8 | Very high | 95.2 | Very high | 108 Ų | 108 | 66.6 Ų | 66.6 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 177.8 | -68.4 | -173.4 | -62.3 | -96.6 | 7.1 | 111.7 | L156 Y160 Q178 N179 N184 L185 S186 | L156-R182 HydrophobicContact CD1-CG 4.18Å; L156-R182 HydrophobicContact CD2-CG 3.9Å; Y160-R182 WeakPolarHBondContact OH-CG 3.47Å; Y160-R182 PolarHBondContact OH-NH1 3.03Å; Y160-R182 VanDerWaalsContact OH-NH1 3.13Å; Q178-R182 WeakPolarHBondContact O-CG 3.49Å; Q178-R182 PolarHBondContact O-N 3.27Å; N179-R182 PolarHBondContact O-N 3.4Å; N179-R182 PolarHBondContact OD1-NH2 3.31Å; R182-N184 PolarHBondContact O-N 3.04Å; R182-L185 PolarHBondContact O-N 3.26Å; R182-S186 PolarHBondContact O-N 3.23Å; R182-S186 PolarHBondContact O-OG 3.46Å |
| 183 | H | 97.5 | Very high | 95.5 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.4 | 172.4 | 68.9 | 0 | 0 | 0 | 112.2 | N179 I181 L185 S186 L187 | N179-H183 WeakPolarHBondContact O-CB 3.11Å; N179-H183 PolarHBondContact O-N 2.85Å; I181-H183 VanDerWaalsContact C-N 3.31Å; I181-H183 PolarHBondContact O-N 3.34Å; H183-L185 VanDerWaalsContact C-N 3.35Å; H183-L185 PolarHBondContact O-N 3.49Å; H183-S186 PolarHBondContact O-N 3.1Å; H183-S186 PolarHBondContact O-OG 3.28Å; H183-L187 VanDerWaalsContact CE1-CD1 3.42Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.48Å; H183-L187 VanDerWaalsContact NE2-CD1 3.28Å; H183-L187 WeakPolarHBondContact NE2-CD1 3.46Å; H183-L187 WeakPolarHBondContact O-CB 3.11Å; H183-L187 PolarHBondContact O-N 3.29Å |
| 184 | N | 97.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 179.3 | -87.9 | -94.4 | 0 | 0 | 0 | 112.9 | I142 S180 I181 R182 S186 L187 N188 | I142-N184 HydrophobicContact CD1-CB 3.95Å; S180-N184 WeakPolarHBondContact O-CB 3.46Å; S180-N184 PolarHBondContact O-N 2.87Å; S180-N184 PolarHBondContact O-ND2 3.34Å; I181-N184 PolarHBondContact O-N 3.2Å; R182-N184 PolarHBondContact O-N 3.04Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-L187 PolarHBondContact O-N 3.22Å; N184-N188 WeakPolarHBondContact O-CB 3.44Å; N184-N188 PolarHBondContact O-N 3.46Å; N184-N188 VanDerWaalsContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 3.01Å; N184-N188 PolarHBondContact OD1-ND2 3.47Å |
| 185 | L | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 175.7 | -72.8 | 167.5 | 0 | 0 | 0 | 111.9 | I142 L156 I159 I181 R182 H183 F191 W207 | I142-L185 HydrophobicContact CD1-CD2 3.95Å; I142-L185 HydrophobicContact CD1-CG 3.95Å; I142-L185 HydrophobicContact CG1-CD2 4.45Å; I142-L185 HydrophobicContact CG2-CD2 3.82Å; L156-L185 HydrophobicContact CD1-CD1 3.53Å; I159-L185 HydrophobicContact CD1-CD1 4.01Å; I159-L185 HydrophobicContact CD1-CD2 4.07Å; I181-L185 HydrophobicContact CG2-CD1 4.15Å; I181-L185 WeakPolarHBondContact O-CG 2.95Å; I181-L185 PolarHBondContact O-N 3.18Å; R182-L185 PolarHBondContact O-N 3.26Å; H183-L185 VanDerWaalsContact C-N 3.35Å; H183-L185 PolarHBondContact O-N 3.49Å; L185-F191 HydrophobicContact CD2-CB 4.07Å; L185-F191 HydrophobicContact CD2-CD2 4.18Å; L185-F191 HydrophobicContact CD2-CG 4.01Å; L185-W207 HydrophobicContact CB-CD2 4.11Å; L185-W207 HydrophobicContact CB-CE3 3.99Å; L185-W207 HydrophobicContact CB-CH2 3.74Å; L185-W207 HydrophobicContact CB-CZ2 3.87Å; L185-W207 HydrophobicContact CB-CZ3 3.81Å; L185-W207 HydrophobicContact CD1-CD2 4.21Å; L185-W207 HydrophobicContact CD1-CG 4.34Å; L185-W207 HydrophobicContact CD1-CZ2 4.41Å; L185-W207 HydrophobicContact CD2-CB 4.32Å; L185-W207 HydrophobicContact CD2-CD2 3.93Å; L185-W207 HydrophobicContact CD2-CE3 4.04Å; L185-W207 HydrophobicContact CD2-CG 4.05Å; L185-W207 HydrophobicContact CG-CD2 4.31Å; L185-W207 WeakPolarHBondContact O-CZ3 3.19Å |
| 186 | S | 96.3 | Very high | 95.6 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -81.5 | -31.3 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | R182 H183 N184 | R182-S186 PolarHBondContact O-N 3.23Å; R182-S186 PolarHBondContact O-OG 3.46Å; H183-S186 PolarHBondContact O-N 3.1Å; H183-S186 PolarHBondContact O-OG 3.28Å; N184-S186 VanDerWaalsContact C-N 3.32Å |
| 187 | L | 94.8 | Very high | 95.3 | Very high | 102 Ų | 102 | 65.8 Ų | 65.8 | 53% | 0.534 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79.6 | -40.9 | -174.3 | -178.8 | 149.4 | 0 | 0 | 0 | 112.3 | H183 N184 | H183-L187 VanDerWaalsContact CE1-CD1 3.42Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.48Å; H183-L187 VanDerWaalsContact NE2-CD1 3.28Å; H183-L187 WeakPolarHBondContact NE2-CD1 3.46Å; H183-L187 WeakPolarHBondContact O-CB 3.11Å; H183-L187 PolarHBondContact O-N 3.29Å; N184-L187 PolarHBondContact O-N 3.22Å |
| 188 | N | 92.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | trans | -87.5 | 121 | -174.1 | -65.2 | -81.1 | 0 | 0 | 0 | 110.6 | N184 C190 F191 | N184-N188 WeakPolarHBondContact O-CB 3.44Å; N184-N188 PolarHBondContact O-N 3.46Å; N184-N188 VanDerWaalsContact O-N 3.1Å; N184-N188 PolarHBondContact O-ND2 3.01Å; N184-N188 PolarHBondContact OD1-ND2 3.47Å; N188-C190 PolarHBondContact O-N 2.73Å; N188-F191 HydrophobicContact CB-CD2 3.86Å; N188-F191 HydrophobicContact CB-CE2 4.07Å; N188-F191 PolarHBondContact O-N 3.1Å | ||
| 189 | K | 92.5 | Very high | 94.3 | Very high | 156 Ų | 156 | 79 Ų | 79 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -18.6 | 175.5 | -63.3 | -173.6 | 178.8 | -175.9 | 0 | 114.1 | F191 Y213 | K189-F191 PolarHBondContact O-N 3.21Å; K189-Y213 HydrophobicContact CB-CE2 4.27Å |
| 190 | C | 92.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 78.1 Ų | 78.1 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.5 | 175.4 | -53.2 | 0 | 0 | 0 | 0 | 113.1 | N188 I209 D210 L217 | N188-C190 PolarHBondContact O-N 2.73Å; C190-I209 CarbonylContact O-C 3.59Å; C190-I209 VanDerWaalsContact O-CA 3.31Å; C190-I209 WeakPolarHBondContact O-CA 3.45Å; C190-D210 PolarHBondContact O-N 2.84Å; C190-L217 HydrophobicContact CB-CD1 3.53Å |
| 191 | F | 94.8 | Very high | 93 | Very high | 9 Ų | 9 | 82.7 Ų | 82.7 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.8 | -179.9 | -51.9 | -57.1 | 0 | 0 | 0 | 109.7 | A139 I142 M146 L185 N188 K189 W207 K208 L217 | A139-F191 HydrophobicContact CB-CE2 4.32Å; A139-F191 HydrophobicContact CB-CZ 4.49Å; I142-F191 HydrophobicContact CB-CE1 4.17Å; I142-F191 HydrophobicContact CB-CE2 4.3Å; I142-F191 HydrophobicContact CB-CZ 3.77Å; I142-F191 HydrophobicContact CD1-CE2 3.99Å; I142-F191 HydrophobicContact CD1-CZ 4.34Å; I142-F191 HydrophobicContact CG2-CD1 3.95Å; I142-F191 HydrophobicContact CG2-CE1 3.45Å; I142-F191 VanDerWaalsContact CG2-CE1 3.45Å; I142-F191 HydrophobicContact CG2-CE2 4.11Å; I142-F191 HydrophobicContact CG2-CG 4.46Å; I142-F191 HydrophobicContact CG2-CZ 3.54Å; M146-F191 HydrophobicContact CE-CD1 3.85Å; M146-F191 HydrophobicContact CE-CE1 4.29Å; M146-F191 HydrophobicContact SD-CD1 3.97Å; M146-F191 HydrophobicContact SD-CE1 3.95Å; L185-F191 HydrophobicContact CD2-CB 4.07Å; L185-F191 HydrophobicContact CD2-CD2 4.18Å; L185-F191 HydrophobicContact CD2-CG 4.01Å; N188-F191 HydrophobicContact CB-CD2 3.86Å; N188-F191 HydrophobicContact CB-CE2 4.07Å; N188-F191 PolarHBondContact O-N 3.1Å; K189-F191 PolarHBondContact O-N 3.21Å; F191-W207 HydrophobicContact CB-CE3 4.19Å; F191-K208 WeakPolarHBondContact CA-O 3.46Å; F191-L217 HydrophobicContact CE1-CD1 4.45Å; F191-L217 HydrophobicContact CZ-CD1 4.4Å |
| 192 | I | 95.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 85 Ų | 85 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.3 | -179.7 | 55.9 | -178.1 | 0 | 0 | 0 | 109.9 | W207 K208 D210 | I192-W207 WeakPolarHBondContact O-CA 3.49Å; I192-K208 HydrophobicContact CD1-CD 4.05Å; I192-K208 HydrophobicContact CD1-CG 3.78Å; I192-K208 HydrophobicContact CG1-CD 4.19Å; I192-K208 HydrophobicContact CG1-CG 3.41Å; I192-K208 VanDerWaalsContact CG1-CG 3.41Å; I192-K208 PolarHBondContact N-O 2.88Å; I192-K208 PolarHBondContact O-N 2.78Å; I192-D210 HydrophobicContact CD1-CB 4.01Å; I192-D210 HydrophobicContact CG1-CB 4.43Å; I192-D210 HydrophobicContact CG2-CB 4.16Å |
| 193 | K | 96.4 | Very high | 92.1 | Very high | 147 Ų | 147 | 88 Ų | 88 | 64% | 0.639 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 125.9 | 177.8 | -172.9 | -179.1 | 178.3 | -174.6 | 0 | 109 | F206 W207 | K193-F206 CarbonylContact C-O 3.57Å; K193-F206 WeakPolarHBondContact CA-O 3.48Å; K193-W207 HydrophobicContact CB-CE3 4.19Å; K193-W207 HydrophobicContact CB-CH2 4Å; K193-W207 HydrophobicContact CB-CZ2 4.36Å; K193-W207 HydrophobicContact CB-CZ3 3.91Å; K193-W207 HydrophobicContact CG-CZ2 4.41Å |
| 194 | V | 94.8 | Very high | 91.7 | Very high | 29 Ų | 29 | 85.8 Ų | 85.8 | 18% | 0.176 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.3 | 177.8 | -171 | 0 | 0 | 0 | 0 | 108.2 | F206 K208 | V194-F206 HydrophobicContact CB-CB 4.11Å; V194-F206 PolarHBondContact N-O 3.26Å; V194-F206 PolarHBondContact O-N 3.28Å; V194-K208 HydrophobicContact CG2-CB 4.15Å; V194-K208 HydrophobicContact CG2-CD 3.49Å; V194-K208 VanDerWaalsContact CG2-CD 3.49Å; V194-K208 HydrophobicContact CG2-CG 3.47Å; V194-K208 VanDerWaalsContact CG2-CG 3.47Å |
| 195 | P | 93.4 | Very high | 91.5 | Very high | 106 Ų | 106 | 85.2 Ų | 85.2 | 69% | 0.688 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 148.3 | 170.6 | -23.5 | 34.2 | 0 | 0 | 0 | 111.1 | ||
| 196 | R | 92.3 | Very high | 91.5 | Very high | 64 Ų | 64 | 86.1 Ų | 86.1 | 24% | 0.242 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -72 | 144.8 | 169.3 | -65.6 | -169.4 | 173.4 | -96.1 | -2 | 109.1 | G202 K203 G204 F206 | R196-G202 WeakPolarHBondContact CD-O 3.21Å; R196-G202 PolarHBondContact NE-O 3.12Å; R196-K203 PolarHBondContact NH2-O 3.03Å; R196-G204 VanDerWaalsContact CD-O 3.24Å; R196-G204 WeakPolarHBondContact CD-O 3.45Å; R196-G204 WeakPolarHBondContact CG-O 3.17Å; R196-G204 PolarHBondContact NE-O 2.79Å; R196-F206 HydrophobicContact CB-CE2 4.43Å; R196-F206 HydrophobicContact CG-CD2 3.89Å; R196-F206 HydrophobicContact CG-CE2 3.75Å |
| 197 | E | 90.1 | Very high | 91.5 | Very high | 121 Ų | 121 | 83.8 Ų | 83.8 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 152 | 166.2 | -73.3 | 171.3 | -162.4 | 0 | 0 | 109.3 | D199 E200 | E197-D199 PolarHBondContact O-N 2.91Å; E197-D199 VanDerWaalsContact O-N 3.15Å; E197-E200 PolarHBondContact O-N 3.12Å |
| 198 | K | 85.9 | Confident | 91.5 | Very high | 212 Ų | 212 | 83 Ų | 83 | 92% | 0.922 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.8 | -177.6 | -66.5 | -177.7 | 179.8 | 179.6 | 0 | 112.3 | ||
| 199 | D | 86.3 | Confident | 91.6 | Very high | 142 Ų | 142 | 82.9 Ų | 82.9 | 76% | 0.759 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.9 | -177.5 | -52.2 | -51.8 | 0 | 0 | 0 | 113.5 | E197 P201 | E197-D199 PolarHBondContact O-N 2.91Å; E197-D199 VanDerWaalsContact O-N 3.15Å; D199-P201 WeakPolarHBondContact O-CD 3.49Å |
| 200 | E | 85.5 | Confident | 91.6 | Very high | 71 Ų | 71 | 76.9 Ų | 76.9 | 33% | 0.332 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -106.6 | 89.1 | 179.1 | -71.4 | -175.7 | 166.2 | 0 | 0 | 111.3 | K153 E197 G202 F206 | K153-E200 IonicContact NZ-OE1 3.07Å; K153-E200 PolarHBondContact NZ-OE1 3.14Å; K153-E200 VanDerWaalsContact NZ-OE1 3.07Å; K153-E200 IonicContact NZ-OE2 2.87Å; K153-E200 PolarHBondContact NZ-OE2 3.32Å; E197-E200 PolarHBondContact O-N 3.12Å; E200-G202 PolarHBondContact O-N 3.39Å; E200-F206 WeakPolarHBondContact OE2-CE2 3.39Å; E200-F206 VanDerWaalsContact OE2-CZ 3.27Å; E200-F206 WeakPolarHBondContact OE2-CZ 3.32Å |
| 201 | P | 81.4 | Confident | 91.4 | Very high | 130 Ų | 130 | 80.3 Ų | 80.3 | 84% | 0.844 | 43% | 0.432 | S | S | * | . | trans | -63.5 | 130.6 | 176.7 | 25.5 | -33.4 | 0 | 0 | 0 | 111.3 | D199 | D199-P201 WeakPolarHBondContact O-CD 3.49Š| ||
| 202 | G | 88.2 | Confident | 91.1 | Very high | 50 Ų | 50 | 87.3 Ų | 87.3 | 52% | 0.515 | 47% | 0.465 | S | S | . | . | trans | 171.3 | 160.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R196 E200 | R196-G202 WeakPolarHBondContact CD-O 3.21Å; R196-G202 PolarHBondContact NE-O 3.12Å; E200-G202 PolarHBondContact O-N 3.39Å | ||
| 203 | K | 88.1 | Confident | 90.4 | Very high | 169 Ų | 169 | 87.8 Ų | 87.8 | 74% | 0.735 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -75.4 | 137.2 | 178.7 | -171.7 | 172.8 | -178.2 | 174.4 | 0 | 111.5 | R196 | R196-K203 PolarHBondContact NH2-O 3.03Š|
| 204 | G | 90.4 | Very high | 89.7 | Confident | 57 Ų | 57 | 82 Ų | 82 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 77.4 | -172.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | R196 | R196-G204 VanDerWaalsContact CD-O 3.24Å; R196-G204 WeakPolarHBondContact CD-O 3.45Å; R196-G204 WeakPolarHBondContact CG-O 3.17Å; R196-G204 PolarHBondContact NE-O 2.79Å |
| 205 | G | 93.5 | Very high | 88.9 | Confident | 14 Ų | 14 | 86.3 Ų | 86.3 | 14% | 0.144 | 47% | 0.465 | C | S | . | . | trans | -104.6 | 177 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 206 | F | 95.9 | Very high | 88.1 | Confident | 20 Ų | 20 | 90.4 Ų | 90.4 | 9% | 0.088 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 160.9 | 168 | -67 | -82.2 | 0 | 0 | 0 | 111 | K153 I154 T155 K193 V194 R196 E200 | K153-F206 HydrophobicContact CB-CB 4.01Å; K153-F206 HydrophobicContact CB-CD1 4.27Å; K153-F206 HydrophobicContact CB-CG 4.31Å; K153-F206 HydrophobicContact CD-CB 4.11Å; K153-F206 HydrophobicContact CD-CD1 3.95Å; K153-F206 HydrophobicContact CD-CD2 3.9Å; K153-F206 HydrophobicContact CD-CE1 4.29Å; K153-F206 HydrophobicContact CD-CE2 4.25Å; K153-F206 HydrophobicContact CD-CG 3.74Å; K153-F206 HydrophobicContact CD-CZ 4.42Å; K153-F206 HydrophobicContact CG-CB 4.22Å; K153-F206 HydrophobicContact CG-CD1 3.77Å; K153-F206 HydrophobicContact CG-CE1 4.23Å; K153-F206 HydrophobicContact CG-CG 3.97Å; I154-F206 CarbonylContact O-C 3.57Å; I154-F206 WeakPolarHBondContact O-CA 3.47Å; T155-F206 HydrophobicContact CG2-CD1 3.66Å; T155-F206 HydrophobicContact CG2-CE1 3.53Å; T155-F206 HydrophobicContact CG2-CZ 4.42Å; K193-F206 CarbonylContact C-O 3.57Å; K193-F206 WeakPolarHBondContact CA-O 3.48Å; V194-F206 HydrophobicContact CB-CB 4.11Å; V194-F206 PolarHBondContact N-O 3.26Å; V194-F206 PolarHBondContact O-N 3.28Å; R196-F206 HydrophobicContact CB-CE2 4.43Å; R196-F206 HydrophobicContact CG-CD2 3.89Å; R196-F206 HydrophobicContact CG-CE2 3.75Å; E200-F206 WeakPolarHBondContact OE2-CE2 3.39Å; E200-F206 VanDerWaalsContact OE2-CZ 3.27Å; E200-F206 WeakPolarHBondContact OE2-CZ 3.32Å |
| 207 | W | 96.6 | Very high | 87.1 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 15% | 0.148 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137 | 172.9 | -66.2 | 92.2 | 0 | 0 | 0 | 108.5 | M146 K153 I154 L185 F191 I192 K193 | M146-W207 HydrophobicContact CE-CB 3.78Å; K153-W207 WeakPolarHBondContact CA-O 3.31Å; I154-W207 HydrophobicContact CG2-CB 4.41Å; I154-W207 PolarHBondContact N-O 2.91Å; I154-W207 PolarHBondContact O-N 2.98Å; L185-W207 HydrophobicContact CB-CD2 4.11Å; L185-W207 HydrophobicContact CB-CE3 3.99Å; L185-W207 HydrophobicContact CB-CH2 3.74Å; L185-W207 HydrophobicContact CB-CZ2 3.87Å; L185-W207 HydrophobicContact CB-CZ3 3.81Å; L185-W207 HydrophobicContact CD1-CD2 4.21Å; L185-W207 HydrophobicContact CD1-CG 4.34Å; L185-W207 HydrophobicContact CD1-CZ2 4.41Å; L185-W207 HydrophobicContact CD2-CB 4.32Å; L185-W207 HydrophobicContact CD2-CD2 3.93Å; L185-W207 HydrophobicContact CD2-CE3 4.04Å; L185-W207 HydrophobicContact CD2-CG 4.05Å; L185-W207 HydrophobicContact CG-CD2 4.31Å; L185-W207 WeakPolarHBondContact O-CZ3 3.19Å; F191-W207 HydrophobicContact CB-CE3 4.19Å; I192-W207 WeakPolarHBondContact O-CA 3.49Å; K193-W207 HydrophobicContact CB-CE3 4.19Å; K193-W207 HydrophobicContact CB-CH2 4Å; K193-W207 HydrophobicContact CB-CZ2 4.36Å; K193-W207 HydrophobicContact CB-CZ3 3.91Å; K193-W207 HydrophobicContact CG-CZ2 4.41Å |
| 208 | K | 95.1 | Very high | 86 | Confident | 84 Ų | 84 | 85.7 Ų | 85.7 | 37% | 0.365 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159.1 | 172.1 | 67.9 | -179.6 | 175.9 | -175.2 | 0 | 110.1 | T152 F191 I192 V194 | T152-K208 WeakPolarHBondContact O-CB 3.44Å; F191-K208 WeakPolarHBondContact CA-O 3.46Å; I192-K208 HydrophobicContact CD1-CD 4.05Å; I192-K208 HydrophobicContact CD1-CG 3.78Å; I192-K208 HydrophobicContact CG1-CD 4.19Å; I192-K208 HydrophobicContact CG1-CG 3.41Å; I192-K208 VanDerWaalsContact CG1-CG 3.41Å; I192-K208 PolarHBondContact N-O 2.88Å; I192-K208 PolarHBondContact O-N 2.78Å; V194-K208 HydrophobicContact CG2-CB 4.15Å; V194-K208 HydrophobicContact CG2-CD 3.49Å; V194-K208 VanDerWaalsContact CG2-CD 3.49Å; V194-K208 HydrophobicContact CG2-CG 3.47Å; V194-K208 VanDerWaalsContact CG2-CG 3.47Å |
| 209 | I | 93.3 | Very high | 85.1 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.2 | 167.7 | -55.9 | -179.6 | 0 | 0 | 0 | 107.4 | M146 C190 P211 A214 L217 | M146-I209 HydrophobicContact CB-CD1 4.21Å; M146-I209 HydrophobicContact CB-CG1 4.5Å; M146-I209 HydrophobicContact SD-CD1 3.93Å; M146-I209 HydrophobicContact SD-CG1 3.33Å; M146-I209 WeakPolarHBondContact SD-CG1 3.44Å; C190-I209 CarbonylContact O-C 3.59Å; C190-I209 VanDerWaalsContact O-CA 3.31Å; C190-I209 WeakPolarHBondContact O-CA 3.45Å; I209-P211 WeakPolarHBondContact O-CD 3.37Å; I209-A214 HydrophobicContact CG2-CB 4.05Å; I209-L217 HydrophobicContact CD1-CD2 4.41Å |
| 210 | D | 92.7 | Very high | 84 | Confident | 29 Ų | 29 | 76.2 Ų | 76.2 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | trans | -68.1 | 122.1 | 171 | -177.4 | -18.1 | 0 | 0 | 0 | 109.3 | C190 I192 Q212 Y213 A214 | C190-D210 PolarHBondContact O-N 2.84Å; I192-D210 HydrophobicContact CD1-CB 4.01Å; I192-D210 HydrophobicContact CG1-CB 4.43Å; I192-D210 HydrophobicContact CG2-CB 4.16Å; D210-Q212 PolarHBondContact O-N 2.92Å; D210-Q212 VanDerWaalsContact O-N 3.09Å; D210-Q212 PolarHBondContact OD1-N 3.01Å; D210-Y213 HydrophobicContact CB-CD2 3.8Å; D210-Y213 PolarHBondContact O-N 2.89Å; D210-Y213 WeakPolarHBondContact OD2-CD2 3.44Å; D210-Y213 WeakPolarHBondContact OD2-CE2 3.48Å; D210-A214 PolarHBondContact O-N 3.01Å | ||
| 211 | P | 89.3 | Confident | 82.7 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -50.6 | -33.5 | 178.9 | -27.6 | 35.1 | 0 | 0 | 0 | 114 | I209 Y213 A214 | I209-P211 WeakPolarHBondContact O-CD 3.37Å; P211-Y213 PolarHBondContact O-N 3.12Å; P211-A214 PolarHBondContact O-N 3.11Å |
| 212 | Q | 87.3 | Confident | 81.5 | Confident | 156 Ų | 156 | 71.9 Ų | 71.9 | 73% | 0.729 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66 | -27.7 | 179.7 | -62.6 | -174.8 | -0.9 | 0 | 0 | 113.1 | D210 | D210-Q212 PolarHBondContact O-N 2.92Å; D210-Q212 VanDerWaalsContact O-N 3.09Å; D210-Q212 PolarHBondContact OD1-N 3.01Å |
| 213 | Y | 82.7 | Confident | 80 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -107.1 | -4.8 | -177.8 | -59.3 | -84.1 | 0 | 0 | 0 | 112.6 | K189 D210 P211 D215 R216 L217 | K189-Y213 HydrophobicContact CB-CE2 4.27Å; D210-Y213 HydrophobicContact CB-CD2 3.8Å; D210-Y213 PolarHBondContact O-N 2.89Å; D210-Y213 WeakPolarHBondContact OD2-CD2 3.44Å; D210-Y213 WeakPolarHBondContact OD2-CE2 3.48Å; P211-Y213 PolarHBondContact O-N 3.12Å; Y213-D215 PolarHBondContact O-N 3.12Å; Y213-R216 PolarHBondContact O-N 2.93Å; Y213-L217 WeakPolarHBondContact O-CB 3.27Å; Y213-L217 PolarHBondContact O-N 3.48Å |
| 214 | A | 81 | Confident | 78.4 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.3 | -49 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I209 D210 P211 R216 L217 M218 | I209-A214 HydrophobicContact CG2-CB 4.05Å; D210-A214 PolarHBondContact O-N 3.01Å; P211-A214 PolarHBondContact O-N 3.11Å; A214-R216 PolarHBondContact O-N 3.08Å; A214-L217 PolarHBondContact O-N 2.85Å; A214-M218 WeakPolarHBondContact O-CB 3.36Å; A214-M218 WeakPolarHBondContact O-CG 3.39Å; A214-M218 PolarHBondContact O-N 3.21Å |
| 215 | D | 77.3 | Confident | 76.6 | Confident | 118 Ų | 118 | 80.7 Ų | 80.7 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | -178.5 | -63.4 | -28.4 | 0 | 0 | 0 | 112.4 | Y213 L217 N219 | Y213-D215 PolarHBondContact O-N 3.12Å; D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.47Å; D215-N219 VanDerWaalsContact O-CB 3.28Å; D215-N219 WeakPolarHBondContact O-CB 3.18Å; D215-N219 PolarHBondContact O-N 3.42Å; D215-N219 PolarHBondContact O-ND2 3.35Å |
| 216 | R | 77.1 | Confident | 74.7 | Confident | 192 Ų | 192 | 91.1 Ų | 91.1 | 73% | 0.725 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.1 | -36.2 | 179.1 | -174.4 | 175.8 | 175 | -147.5 | -0.4 | 111.3 | Y213 A214 G220 | Y213-R216 PolarHBondContact O-N 2.93Å; A214-R216 PolarHBondContact O-N 3.08Å; R216-G220 WeakPolarHBondContact O-CA 3.45Å; R216-G220 PolarHBondContact O-N 2.93Å |
| 217 | L | 71 | Confident | 72.5 | Confident | 17 Ų | 17 | 97.4 Ų | 97.4 | 9% | 0.089 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -78.1 | -40.7 | -177.4 | -174.3 | 144.8 | 0 | 0 | 0 | 111.2 | C143 C190 F191 I209 Y213 A214 D215 N219 G220 A221 | C143-L217 HydrophobicContact CB-CD2 3.6Å; C143-L217 WeakPolarHBondContact SG-CD1 3.24Å; C143-L217 WeakPolarHBondContact SG-CD2 3.32Å; C190-L217 HydrophobicContact CB-CD1 3.53Å; F191-L217 HydrophobicContact CE1-CD1 4.45Å; F191-L217 HydrophobicContact CZ-CD1 4.4Å; I209-L217 HydrophobicContact CD1-CD2 4.41Å; Y213-L217 WeakPolarHBondContact O-CB 3.27Å; Y213-L217 PolarHBondContact O-N 3.48Å; A214-L217 PolarHBondContact O-N 2.85Å; D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.47Å; L217-N219 VanDerWaalsContact C-N 3.28Å; L217-N219 PolarHBondContact O-N 3.4Å; L217-G220 PolarHBondContact O-N 3.19Å; L217-A221 HydrophobicContact CD2-CB 4.16Å; L217-A221 HydrophobicContact CG-CB 4.14Å; L217-A221 WeakPolarHBondContact O-CA 3.28Å; L217-A221 WeakPolarHBondContact O-CB 3.42Å; L217-A221 PolarHBondContact O-N 3.19Å |
| 218 | M | 68.1 | Low | 70.2 | Confident | 70 Ų | 70 | 100.5 Ų | 100.5 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 172.7 | -64.3 | -107.8 | 78.1 | 0 | 0 | 111.4 | E147 A214 F222 | E147-M218 WeakPolarHBondContact OE2-CE 3.42Å; A214-M218 WeakPolarHBondContact O-CB 3.36Å; A214-M218 WeakPolarHBondContact O-CG 3.39Å; A214-M218 PolarHBondContact O-N 3.21Å; M218-F222 HydrophobicContact CE-CE2 3.66Å; M218-F222 HydrophobicContact CE-CZ 3.63Å; M218-F222 WeakPolarHBondContact O-CD2 3.47Å; M218-F222 VanDerWaalsContact O-CE2 3.3Å; M218-F222 WeakPolarHBondContact O-CE2 3.29Å |
| 219 | N | 66 | Low | 68.3 | Low | 115 Ų | 115 | 102 Ų | 102 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -83.2 | -20.4 | 179.6 | -67.2 | -37.8 | 0 | 0 | 0 | 114.4 | D215 L217 K223 | D215-N219 VanDerWaalsContact O-CB 3.28Å; D215-N219 WeakPolarHBondContact O-CB 3.18Å; D215-N219 PolarHBondContact O-N 3.42Å; D215-N219 PolarHBondContact O-ND2 3.35Å; L217-N219 VanDerWaalsContact C-N 3.28Å; L217-N219 PolarHBondContact O-N 3.4Å; N219-K223 WeakPolarHBondContact O-CE 3.42Å |
| 220 | G | 63.2 | Low | 67.1 | Low | 40 Ų | 40 | 106.2 Ų | 106.2 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -114 | -27.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R216 L217 F222 K223 | R216-G220 WeakPolarHBondContact O-CA 3.45Å; R216-G220 PolarHBondContact O-N 2.93Å; L217-G220 PolarHBondContact O-N 3.19Å; G220-F222 VanDerWaalsContact C-N 3.34Å; G220-F222 PolarHBondContact O-N 3.47Å; G220-K223 PolarHBondContact O-N 2.93Å |
| 221 | A | 59 | Low | 65.6 | Low | 17 Ų | 17 | 113.9 Ų | 113.9 | 14% | 0.14 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.6 | -28.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T140 L217 | T140-A221 HydrophobicContact CG2-CB 4.43Å; T140-A221 WeakPolarHBondContact CG2-O 3.19Å; T140-A221 PolarHBondContact OG1-O 3.16Å; T140-A221 VanDerWaalsContact OG1-O 3.06Å; L217-A221 HydrophobicContact CD2-CB 4.16Å; L217-A221 HydrophobicContact CG-CB 4.14Å; L217-A221 WeakPolarHBondContact O-CA 3.28Å; L217-A221 WeakPolarHBondContact O-CB 3.42Å; L217-A221 PolarHBondContact O-N 3.19Å |
| 222 | F | 55.4 | Low | 64.7 | Low | 93 Ų | 93 | 114.4 Ų | 114.4 | 41% | 0.408 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -9 | -179.4 | -50.5 | -65.3 | 0 | 0 | 0 | 113.9 | M144 E147 M218 G220 K224 | M144-F222 HydrophobicContact CG-CE1 3.97Å; E147-F222 WeakPolarHBondContact OE2-CZ 3.41Å; M218-F222 HydrophobicContact CE-CE2 3.66Å; M218-F222 HydrophobicContact CE-CZ 3.63Å; M218-F222 WeakPolarHBondContact O-CD2 3.47Å; M218-F222 VanDerWaalsContact O-CE2 3.3Å; M218-F222 WeakPolarHBondContact O-CE2 3.29Å; G220-F222 VanDerWaalsContact C-N 3.34Å; G220-F222 PolarHBondContact O-N 3.47Å; F222-K224 PolarHBondContact O-N 3.3Å; F222-K224 VanDerWaalsContact O-N 3.09Å |
| 223 | K | 56.8 | Low | 63.8 | Low | 160 Ų | 160 | 112.7 Ų | 112.7 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -73.8 | 108 | 173.7 | -68.8 | -177 | -179.1 | 177.3 | 0 | 107.6 | N219 G220 R225 | N219-K223 WeakPolarHBondContact O-CE 3.42Å; G220-K223 PolarHBondContact O-N 2.93Å; K223-R225 PolarHBondContact O-N 3.08Å; K223-R225 VanDerWaalsContact O-N 3.1Å |
| 224 | K | 54.7 | Low | 62.8 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | trans | -37.5 | 121.8 | 166.3 | -109.5 | 174.8 | 177.7 | 164 | 0 | 107.5 | M121 F222 R226 | M121-K224 PolarHBondContact SD-NZ 3.38Å; F222-K224 PolarHBondContact O-N 3.3Å; F222-K224 VanDerWaalsContact O-N 3.09Å; K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.41Å | ||
| 225 | R | 52.8 | Low | 61.7 | Low | 186 Ų | 186 | 115.2 Ų | 115.2 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | trans | -57.8 | 97.5 | 174.6 | -70.3 | -176.7 | -174.2 | 162.5 | -7.2 | 107.1 | S137 K223 M227 | S137-R225 VanDerWaalsContact CB-CZ 3.46Å; K223-R225 PolarHBondContact O-N 3.08Å; K223-R225 VanDerWaalsContact O-N 3.1Å; R225-M227 PolarHBondContact O-N 3.32Å; R225-M227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | R | 52.9 | Low | 60.8 | Low | 233 Ų | 233 | 116.6 Ų | 116.6 | 88% | 0.879 | 58% | 0.579 | S | S | * | * | trans | -66.4 | 112.1 | 163.6 | -71.2 | -160.7 | 177.8 | 173.8 | 1 | 104.3 | K224 | K224-R226 VanDerWaalsContact C-N 3.27Å; K224-R226 PolarHBondContact O-N 3.41Å | ||
| 227 | M | 49.5 | Very low | 60.1 | Low | 151 Ų | 151 | 110.6 Ų | 110.6 | 74% | 0.744 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -54 | 125.1 | 166 | -70 | -70.5 | 150.5 | 0 | 0 | 105.9 | R225 | R225-M227 PolarHBondContact O-N 3.32Å; R225-M227 VanDerWaalsContact O-N 3.12Å |
| 228 | P | 49.2 | Very low | 59.5 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 138 | 171.5 | 22 | -29.6 | 0 | 0 | 0 | 107.2 | V230 | P228-V230 PolarHBondContact O-N 3.1Å; P228-V230 VanDerWaalsContact O-N 3.11Å |
| 229 | P | 54.9 | Low | 59 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 126.7 | 174.8 | -20.5 | 29.8 | 0 | 0 | 0 | 107.6 | Q231 | P229-Q231 PolarHBondContact O-N 3.4Š|
| 230 | V | 67.4 | Low | 58.5 | Low | 131 Ų | 131 | 118 Ų | 118 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | trans | -55.4 | 107.3 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 106.1 | P228 I232 | P228-V230 PolarHBondContact O-N 3.1Å; P228-V230 VanDerWaalsContact O-N 3.11Å; V230-I232 VanDerWaalsContact C-N 3.3Å; V230-I232 HydrophobicContact CG1-CG1 4.34Å; V230-I232 PolarHBondContact O-N 3.08Å | ||
| 231 | Q | 62.8 | Low | 58.1 | Low | 190 Ų | 190 | 121.4 Ų | 121.4 | 89% | 0.888 | 61% | 0.605 | S | S | * | * | trans | -72 | 93.7 | 174.9 | -71.9 | -171.3 | -16.5 | 0 | 0 | 106.8 | P229 H233 | P229-Q231 PolarHBondContact O-N 3.4Å; Q231-H233 PolarHBondContact O-N 3.43Å | ||
| 232 | I | 69.4 | Low | 57.9 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 56% | 0.559 | 63% | 0.631 | S | S | * | * | trans | -64.9 | 122.7 | 170.2 | -58.9 | 176.5 | 0 | 0 | 0 | 106.5 | V230 F236 | V230-I232 VanDerWaalsContact C-N 3.3Å; V230-I232 HydrophobicContact CG1-CG1 4.34Å; V230-I232 PolarHBondContact O-N 3.08Å; I232-F236 HydrophobicContact CG2-CB 3.75Å; I232-F236 HydrophobicContact CG2-CD2 4.28Å; I232-F236 HydrophobicContact CG2-CG 4.43Å | ||
| 233 | H | 68.4 | Low | 57.7 | Low | 121 Ų | 121 | 130.3 Ų | 130.3 | 56% | 0.56 | 65% | 0.645 | S | S | * | * | trans | -52.6 | 134.4 | 177.8 | -172.4 | -87.3 | 0 | 0 | 0 | 110.1 | Q231 A235 F236 | Q231-H233 PolarHBondContact O-N 3.43Å; H233-A235 VanDerWaalsContact ND1-CB 3.28Å; H233-A235 WeakPolarHBondContact ND1-CB 3.2Å; H233-A235 PolarHBondContact ND1-N 2.86Å; H233-A235 PolarHBondContact O-N 3.28Å; H233-F236 HydrophobicContact CB-CD2 4.04Å; H233-F236 HydrophobicContact CB-CE2 4.21Å; H233-F236 PolarHBondContact O-N 3.19Å | ||
| 234 | P | 62.3 | Low | 57.5 | Low | 82 Ų | 82 | 126 Ų | 126 | 53% | 0.532 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.4 | -14.1 | -171.6 | 22.2 | -33.9 | 0 | 0 | 0 | 114.5 | F236 T237 N238 | P234-F236 VanDerWaalsContact C-N 3.29Å; P234-F236 PolarHBondContact O-N 2.87Å; P234-T237 WeakPolarHBondContact CA-OG1 3.36Å; P234-T237 PolarHBondContact O-OG1 3.08Å; P234-N238 PolarHBondContact O-N 3.07Å; P234-N238 PolarHBondContact O-ND2 3.1Å |
| 235 | A | 58.1 | Low | 57.1 | Low | 59 Ų | 59 | 129.6 Ų | 129.6 | 49% | 0.488 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.2 | -31 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H233 | H233-A235 VanDerWaalsContact ND1-CB 3.28Å; H233-A235 WeakPolarHBondContact ND1-CB 3.2Å; H233-A235 PolarHBondContact ND1-N 2.86Å; H233-A235 PolarHBondContact O-N 3.28Å |
| 236 | F | 58 | Low | 56.5 | Low | 147 Ų | 147 | 125.2 Ų | 125.2 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.9 | -23.1 | -179.5 | -60.8 | -74.4 | 0 | 0 | 0 | 113.1 | I232 H233 P234 | I232-F236 HydrophobicContact CG2-CB 3.75Å; I232-F236 HydrophobicContact CG2-CD2 4.28Å; I232-F236 HydrophobicContact CG2-CG 4.43Å; H233-F236 HydrophobicContact CB-CD2 4.04Å; H233-F236 HydrophobicContact CB-CE2 4.21Å; H233-F236 PolarHBondContact O-N 3.19Å; P234-F236 VanDerWaalsContact C-N 3.29Å; P234-F236 PolarHBondContact O-N 2.87Å |
| 237 | T | 62.7 | Low | 56.3 | Low | 67 Ų | 67 | 119.9 Ų | 119.9 | 41% | 0.411 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.1 | -33.1 | 175.8 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | P234 Q241 | P234-T237 WeakPolarHBondContact CA-OG1 3.36Å; P234-T237 PolarHBondContact O-OG1 3.08Å; T237-Q241 PolarHBondContact O-N 3.27Å |
| 238 | N | 56.9 | Low | 56.1 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 51% | 0.508 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71.3 | -28.9 | 179.2 | -73.9 | -25.9 | 0 | 0 | 0 | 113.2 | P234 Q241 Q242 | P234-N238 PolarHBondContact O-N 3.07Å; P234-N238 PolarHBondContact O-ND2 3.1Å; N238-Q241 PolarHBondContact O-N 2.86Å; N238-Q242 PolarHBondContact O-N 2.9Å; N238-Q242 VanDerWaalsContact O-N 3.1Å |
| 239 | R | 58.6 | Low | 55.9 | Low | 193 Ų | 193 | 118.9 Ų | 118.9 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68 | -41.2 | 176.5 | -163 | 171.1 | -159 | 160 | 6 | 112 | Q241 Q242 E243 | R239-Q241 VanDerWaalsContact C-N 3.31Å; R239-Q241 PolarHBondContact O-N 2.94Å; R239-Q242 PolarHBondContact O-N 3.4Å; R239-E243 PolarHBondContact O-N 3.38Å |
| 240 | A | 54.5 | Low | 55.2 | Low | 68 Ų | 68 | 118.5 Ų | 118.5 | 56% | 0.562 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.7 | -28.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 241 | Q | 56.1 | Low | 53.7 | Low | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -83 | -27.8 | 176.1 | -70.2 | -166.4 | -9 | 0 | 0 | 113.7 | T237 N238 R239 A244 R245 | T237-Q241 PolarHBondContact O-N 3.27Å; N238-Q241 PolarHBondContact O-N 2.86Å; R239-Q241 VanDerWaalsContact C-N 3.31Å; R239-Q241 PolarHBondContact O-N 2.94Å; Q241-A244 PolarHBondContact O-N 3.2Å; Q241-R245 PolarHBondContact O-N 3.22Å |
| 242 | Q | 54.5 | Low | 52.9 | Low | 147 Ų | 147 | 113.8 Ų | 113.8 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.3 | -35 | 174.2 | -86.1 | -179.6 | -10.8 | 0 | 0 | 112.1 | N238 R239 A244 R245 S246 | N238-Q242 PolarHBondContact O-N 2.9Å; N238-Q242 VanDerWaalsContact O-N 3.1Å; R239-Q242 PolarHBondContact O-N 3.4Å; Q242-A244 VanDerWaalsContact C-N 3.27Å; Q242-A244 PolarHBondContact O-N 3.09Å; Q242-R245 PolarHBondContact O-N 2.68Å; Q242-S246 PolarHBondContact O-OG 3.1Å |
| 243 | E | 51.1 | Low | 51.5 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.5 | -21.3 | 176.6 | -132.1 | 156.1 | -159.8 | 0 | 0 | 113 | R239 S246 | R239-E243 PolarHBondContact O-N 3.38Å; E243-S246 PolarHBondContact O-OG 3.49Å |
| 244 | A | 51.8 | Low | 49.8 | Very low | 68 Ų | 68 | 112.8 Ų | 112.8 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -86.4 | -15.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q241 Q242 | Q241-A244 PolarHBondContact O-N 3.2Å; Q242-A244 VanDerWaalsContact C-N 3.27Å; Q242-A244 PolarHBondContact O-N 3.09Å |
| 245 | R | 46.8 | Very low | 48.8 | Very low | 191 Ų | 191 | 121.3 Ų | 121.3 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -99.4 | -10.5 | -177.2 | -75.7 | -178 | 177.5 | 171.4 | 1.9 | 114.3 | Q241 Q242 V247 | Q241-R245 PolarHBondContact O-N 3.22Å; Q242-R245 PolarHBondContact O-N 2.68Å; R245-V247 VanDerWaalsContact C-N 3.32Å |
| 246 | S | 41.2 | Very low | 47.7 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -84 | 0.7 | 177.3 | 40.2 | 0 | 0 | 0 | 0 | 114.5 | Q242 E243 | Q242-S246 PolarHBondContact O-OG 3.1Å; E243-S246 PolarHBondContact O-OG 3.49Å |
| 247 | V | 48.2 | Very low | 47.3 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -108.4 | -3.9 | -178.9 | -170.4 | 0 | 0 | 0 | 0 | 113.7 | R245 S249 | R245-V247 VanDerWaalsContact C-N 3.32Å; V247-S249 PolarHBondContact O-N 2.96Å |
| 248 | T | 45.4 | Very low | 46.3 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -97.8 | 65.7 | -178.1 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 249 | S | 44.5 | Very low | 45.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -156.8 | 74.8 | 152.3 | 70.1 | 0 | 0 | 0 | 0 | 112 | V247 | V247-S249 PolarHBondContact O-N 2.96Š|
| 250 | S | 39.6 | Very low | 45.2 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -179.6 | 119 | 145.7 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 251 | V | 36.9 | Very low | 44.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | trans | 70.1 | 107.4 | 159.1 | 176.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 252 | A | 45.2 | Very low | 44.4 | Very low | 101 Ų | 101 | 135 Ų | 135 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -66.7 | 126.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 253 | S | 39.8 | Very low | 44.4 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -166.3 | 123.9 | 144 | 4.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 254 | S | 34.4 | Very low | 45.5 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | 52.1 | 106.3 | 147.4 | -53 | 0 | 0 | 0 | 0 | 119.6 | T256 | S254-T256 PolarHBondContact O-N 3.42Š| ||
| 255 | W | 41.3 | Very low | 46.6 | Very low | 260 Ų | 260 | 131.6 Ų | 131.6 | 99% | 0.985 | 76% | 0.757 | S | S | * | * | trans | -56.9 | 123.7 | 157.9 | -69.1 | -12.2 | 0 | 0 | 0 | 111.5 | ||||
| 256 | T | 34.1 | Very low | 47.5 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | -135.5 | 131.3 | 146.6 | 50.8 | 0 | 0 | 0 | 0 | 108.2 | S254 N258 | S254-T256 PolarHBondContact O-N 3.42Å; T256-N258 PolarHBondContact O-N 3.26Å | ||
| 257 | S | 49.2 | Very low | 48.9 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -54.5 | 128.6 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 258 | N | 42.1 | Very low | 49.7 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -176.2 | 104.4 | 143.7 | -84.3 | -26.8 | 0 | 0 | 0 | 108.5 | T256 V260 | T256-N258 PolarHBondContact O-N 3.26Å; N258-V260 PolarHBondContact O-N 2.99Å; N258-V260 VanDerWaalsContact O-N 3.08Å | ||
| 259 | N | 48.7 | Very low | 51.2 | Low | 177 Ų | 177 | 126.1 Ų | 126.1 | 95% | 0.947 | 72% | 0.717 | S | S | * | * | trans | -70.6 | 98 | 173.1 | -91.4 | -30.4 | 0 | 0 | 0 | 109.7 | ||||
| 260 | V | 43.6 | Very low | 52.7 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | trans | -113.3 | 116.3 | 159.6 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | N258 N262 | N258-V260 PolarHBondContact O-N 2.99Å; N258-V260 VanDerWaalsContact O-N 3.08Å; V260-N262 PolarHBondContact O-N 3.09Å | ||
| 261 | L | 44.3 | Very low | 54.4 | Low | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | trans | -61.8 | 110.6 | 175.2 | -66.8 | 170.3 | 0 | 0 | 0 | 108.1 | V263 | L261-V263 PolarHBondContact O-N 3.28Š| ||
| 262 | N | 49.9 | Very low | 56.2 | Low | 160 Ų | 160 | 127.5 Ų | 127.5 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | trans | -74.3 | 98.6 | 176.8 | -166.6 | 23.4 | 0 | 0 | 0 | 108.6 | V260 N264 | V260-N262 PolarHBondContact O-N 3.09Å; N262-N264 PolarHBondContact O-N 3.06Å | ||
| 263 | V | 54.8 | Low | 57.7 | Low | 76 Ų | 76 | 128.3 Ų | 128.3 | 46% | 0.461 | 68% | 0.681 | S | S | . | * | trans | -72.4 | 121.3 | 176 | -180 | 0 | 0 | 0 | 0 | 108.1 | L261 I265 S267 Q268 | L261-V263 PolarHBondContact O-N 3.28Å; V263-I265 PolarHBondContact O-N 3.43Å; V263-S267 WeakPolarHBondContact CG1-OG 3.36Å; V263-Q268 HydrophobicContact CG1-CG 3.96Å; V263-Q268 PolarHBondContact O-NE2 3.43Å | ||
| 264 | N | 72.6 | Confident | 59.1 | Low | 95 Ų | 95 | 130.2 Ų | 130.2 | 51% | 0.508 | 68% | 0.678 | S | S | . | * | trans | -48.5 | 129.7 | 180 | -179.6 | 18.6 | 0 | 0 | 0 | 110.5 | N262 E266 S267 Q268 | N262-N264 PolarHBondContact O-N 3.06Å; N264-E266 PolarHBondContact O-N 3.47Å; N264-S267 PolarHBondContact O-N 3.42Å; N264-S267 PolarHBondContact O-OG 3.35Å; N264-Q268 PolarHBondContact O-N 3.42Å | ||
| 265 | I | 76.1 | Confident | 61 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 64% | 0.641 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -53.2 | -33.4 | -176 | -159.9 | 82.4 | 0 | 0 | 0 | 111.9 | V263 S267 Q268 Q269 | V263-I265 PolarHBondContact O-N 3.43Å; I265-S267 PolarHBondContact O-N 3.44Å; I265-Q268 PolarHBondContact O-N 3.43Å; I265-Q269 PolarHBondContact O-N 3.35Å |
| 266 | E | 65.6 | Low | 62.3 | Low | 128 Ų | 128 | 126.5 Ų | 126.5 | 60% | 0.598 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 179.5 | -146.5 | 174.9 | -164.1 | 0 | 0 | 112.3 | N264 Q269 L270 | N264-E266 PolarHBondContact O-N 3.47Å; E266-Q269 PolarHBondContact O-N 3.28Å; E266-L270 WeakPolarHBondContact O-CG 3.48Å; E266-L270 PolarHBondContact O-N 3.4Å |
| 267 | S | 70.3 | Confident | 63.6 | Low | 41 Ų | 41 | 125.8 Ų | 125.8 | 29% | 0.287 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -74 | -29.4 | 177.2 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | V263 N264 I265 Q269 L271 | V263-S267 WeakPolarHBondContact CG1-OG 3.36Å; N264-S267 PolarHBondContact O-N 3.42Å; N264-S267 PolarHBondContact O-OG 3.35Å; I265-S267 PolarHBondContact O-N 3.44Å; S267-Q269 VanDerWaalsContact C-N 3.33Å; S267-L271 PolarHBondContact O-N 3.1Å |
| 268 | Q | 65.8 | Low | 64.2 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 50% | 0.5 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.8 | -34 | 172 | -61.3 | -171.2 | 28.1 | 0 | 0 | 111.4 | V263 N264 I265 L271 K272 | V263-Q268 HydrophobicContact CG1-CG 3.96Å; V263-Q268 PolarHBondContact O-NE2 3.43Å; N264-Q268 PolarHBondContact O-N 3.42Å; I265-Q268 PolarHBondContact O-N 3.43Å; Q268-L271 PolarHBondContact O-N 3.39Å; Q268-K272 WeakPolarHBondContact O-CB 3.17Å; Q268-K272 PolarHBondContact O-N 3.43Å |
| 269 | Q | 75.4 | Confident | 64.6 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.6 | -39.4 | 178.4 | -154.5 | 152.2 | 8.8 | 0 | 0 | 111.7 | I265 E266 S267 K272 E273 | I265-Q269 PolarHBondContact O-N 3.35Å; E266-Q269 PolarHBondContact O-N 3.28Å; S267-Q269 VanDerWaalsContact C-N 3.33Å; Q269-K272 PolarHBondContact O-N 3.4Å; Q269-E273 WeakPolarHBondContact O-CB 3.28Å; Q269-E273 PolarHBondContact O-N 3.31Å |
| 270 | L | 77.3 | Confident | 64.7 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.9 | -37.3 | 172.3 | -73.1 | 171.7 | 0 | 0 | 0 | 113 | E266 K272 E273 F274 | E266-L270 WeakPolarHBondContact O-CG 3.48Å; E266-L270 PolarHBondContact O-N 3.4Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-E273 PolarHBondContact O-N 3.42Å; L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.46Å; L270-F274 PolarHBondContact O-N 3.11Å |
| 271 | L | 75.9 | Confident | 65.1 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.3 | -42.1 | 172.7 | -114.9 | 93.8 | 0 | 0 | 0 | 111 | S267 Q268 F274 E275 | S267-L271 PolarHBondContact O-N 3.1Å; Q268-L271 PolarHBondContact O-N 3.39Å; L271-F274 PolarHBondContact O-N 3.47Å; L271-E275 VanDerWaalsContact O-CB 3.28Å; L271-E275 WeakPolarHBondContact O-CB 3.28Å; L271-E275 PolarHBondContact O-N 3.47Å |
| 272 | K | 73.6 | Confident | 64.7 | Low | 146 Ų | 146 | 117.1 Ų | 117.1 | 64% | 0.635 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.9 | -40.7 | 179.5 | -165.3 | 175.4 | -175 | -177.8 | 0 | 112.1 | Q268 Q269 L270 F274 E275 E276 | Q268-K272 WeakPolarHBondContact O-CB 3.17Å; Q268-K272 PolarHBondContact O-N 3.43Å; Q269-K272 PolarHBondContact O-N 3.4Å; L270-K272 VanDerWaalsContact C-N 3.3Å; K272-F274 VanDerWaalsContact C-N 3.33Å; K272-E275 PolarHBondContact O-N 3.41Å; K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.24Å; K272-E276 PolarHBondContact O-N 2.63Å |
| 273 | E | 76.2 | Confident | 64.3 | Low | 118 Ų | 118 | 120.5 Ų | 120.5 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.1 | -36.9 | 174.9 | -169.6 | 175.5 | -169.6 | 0 | 0 | 111.4 | Q269 L270 V277 | Q269-E273 WeakPolarHBondContact O-CB 3.28Å; Q269-E273 PolarHBondContact O-N 3.31Å; L270-E273 PolarHBondContact O-N 3.42Å; E273-V277 WeakPolarHBondContact O-CB 3.18Å; E273-V277 PolarHBondContact O-N 2.9Å |
| 274 | F | 70.4 | Confident | 63.7 | Low | 137 Ų | 137 | 123 Ų | 123 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.7 | -43.4 | 174.1 | -177.4 | -98.2 | 0 | 0 | 0 | 112.2 | L270 L271 K272 E276 V277 T278 | L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.46Å; L270-F274 PolarHBondContact O-N 3.11Å; L271-F274 PolarHBondContact O-N 3.47Å; K272-F274 VanDerWaalsContact C-N 3.33Å; F274-E276 VanDerWaalsContact C-N 3.33Å; F274-V277 PolarHBondContact O-N 3.16Å; F274-T278 HydrophobicContact CE1-CG2 4.41Å; F274-T278 HydrophobicContact CE2-CG2 4.1Å; F274-T278 HydrophobicContact CZ-CG2 4.04Å; F274-T278 WeakPolarHBondContact O-CB 3.4Å; F274-T278 PolarHBondContact O-N 3.06Å; F274-T278 PolarHBondContact O-OG1 3.33Å |
| 275 | E | 73.4 | Confident | 62.4 | Low | 136 Ų | 136 | 124.5 Ų | 124.5 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70 | -30.2 | 179.5 | -156.6 | 166.3 | -145.3 | 0 | 0 | 111.7 | L271 K272 G279 | L271-E275 VanDerWaalsContact O-CB 3.28Å; L271-E275 WeakPolarHBondContact O-CB 3.28Å; L271-E275 PolarHBondContact O-N 3.47Å; K272-E275 PolarHBondContact O-N 3.41Å; E275-G279 WeakPolarHBondContact O-CA 3.4Å; E275-G279 PolarHBondContact O-N 3.33Å |
| 276 | E | 69.2 | Low | 60.5 | Low | 159 Ų | 159 | 122.4 Ų | 122.4 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.2 | -33.6 | 172.2 | -170.7 | 171.1 | 178 | 0 | 0 | 112.5 | K272 F274 | K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.24Å; K272-E276 PolarHBondContact O-N 2.63Å; F274-E276 VanDerWaalsContact C-N 3.33Å |
| 277 | V | 61.5 | Low | 59.1 | Low | 120 Ų | 120 | 124.2 Ų | 124.2 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.2 | -26.2 | 175.6 | 153.9 | 0 | 0 | 0 | 0 | 113.2 | E273 F274 | E273-V277 WeakPolarHBondContact O-CB 3.18Å; E273-V277 PolarHBondContact O-N 2.9Å; F274-V277 PolarHBondContact O-N 3.16Å |
| 278 | T | 60.8 | Low | 57.4 | Low | 71 Ų | 71 | 125.8 Ų | 125.8 | 44% | 0.436 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -112.9 | -4.7 | -175.9 | 56 | 0 | 0 | 0 | 0 | 114.9 | F274 D280 | F274-T278 HydrophobicContact CE1-CG2 4.41Å; F274-T278 HydrophobicContact CE2-CG2 4.1Å; F274-T278 HydrophobicContact CZ-CG2 4.04Å; F274-T278 WeakPolarHBondContact O-CB 3.4Å; F274-T278 PolarHBondContact O-N 3.06Å; F274-T278 PolarHBondContact O-OG1 3.33Å; T278-D280 VanDerWaalsContact C-N 3.29Å; T278-D280 PolarHBondContact O-N 3.28Å |
| 279 | G | 50.4 | Low | 55.9 | Low | 50 Ų | 50 | 131 Ų | 131 | 52% | 0.515 | 69% | 0.69 | S | S | . | * | trans | -68.7 | -13.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | E275 Q281 | E275-G279 WeakPolarHBondContact O-CA 3.4Å; E275-G279 PolarHBondContact O-N 3.33Å; G279-Q281 PolarHBondContact O-N 3.45Å | ||
| 280 | D | 51.5 | Low | 53.9 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -95.2 | 50.6 | 179.6 | -72.1 | -18.7 | 0 | 0 | 0 | 112.7 | T278 | T278-D280 VanDerWaalsContact C-N 3.29Å; T278-D280 PolarHBondContact O-N 3.28Å | ||
| 281 | Q | 50.8 | Low | 51.9 | Low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | -140.2 | 77.6 | 162.4 | -65.6 | -56 | -18.5 | 0 | 0 | 111.4 | G279 W283 | G279-Q281 PolarHBondContact O-N 3.45Å; Q281-W283 PolarHBondContact O-N 3.16Å; Q281-W283 VanDerWaalsContact O-N 3.16Å | ||
| 282 | N | 37.2 | Very low | 50.1 | Low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | -67.4 | 99.9 | 167.6 | -177.8 | 25.9 | 0 | 0 | 0 | 110.2 | N284 | N282-N284 PolarHBondContact O-N 3.29Å; N282-N284 VanDerWaalsContact O-N 3.11Å | ||
| 283 | W | 41.5 | Very low | 48.4 | Very low | 231 Ų | 231 | 133.8 Ų | 133.8 | 88% | 0.875 | 73% | 0.73 | S | S | * | * | trans | -78.3 | 88.7 | 171.4 | -72.1 | 98.3 | 0 | 0 | 0 | 110.4 | Q281 | Q281-W283 PolarHBondContact O-N 3.16Å; Q281-W283 VanDerWaalsContact O-N 3.16Å | ||
| 284 | N | 42 | Very low | 46.4 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | -87.9 | 126.6 | 162.9 | -104.2 | -19 | 0 | 0 | 0 | 109.5 | N282 A286 | N282-N284 PolarHBondContact O-N 3.29Å; N282-N284 VanDerWaalsContact O-N 3.11Å; N284-A286 PolarHBondContact O-N 2.85Å | ||
| 285 | P | 45.1 | Very low | 44.8 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -92.8 | 92.2 | 174.2 | 33.9 | -26.2 | 0 | 0 | 0 | 109.5 | ||||
| 286 | A | 36.1 | Very low | 43.1 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | -155 | 120.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N284 | N284-A286 PolarHBondContact O-N 2.85Š| ||
| 287 | D | 35.7 | Very low | 41.6 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | 63.5 | 114.3 | 153.1 | -60.7 | -33.6 | 0 | 0 | 0 | 121.7 | ||||
| 288 | G | 34.4 | Very low | 40.4 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | 91.7 | 105.3 | 117.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 289 | K | 34.4 | Very low | 39.4 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | 64.8 | 138.7 | 138.2 | -96.8 | 174.9 | 176.8 | 173 | 0 | 122 | ||||
| 290 | A | 34.6 | Very low | 38.7 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 82.4 | 116.6 | 153 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 291 | G | 34.2 | Very low | 38 | Very low | 61 Ų | 61 | 157.4 Ų | 157.4 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | trans | -94.1 | 174.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 292 | H | 38.2 | Very low | 37.2 | Very low | 197 Ų | 197 | 157.1 Ų | 157.1 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | trans | -155.1 | 133.5 | 156.2 | -85.5 | -67.5 | 0 | 0 | 0 | 109.7 | ||||
| 293 | K | 38.9 | Very low | 36.9 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -69.2 | 137.6 | 173.8 | -62.3 | -167.1 | 176.1 | -174.6 | 0 | 110.2 | ||||
| 294 | R | 33.7 | Very low | 36.5 | Very low | 225 Ų | 225 | 153.2 Ų | 153.2 | 85% | 0.849 | 82% | 0.818 | S | S | * | * | trans | -139.1 | 112.1 | 161.4 | -163.7 | 169.9 | -177.8 | 139.6 | -1.2 | 110.9 | ||||
| 295 | K | 37.5 | Very low | 35.9 | Very low | 198 Ų | 198 | 154.6 Ų | 154.6 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -79.2 | 145.1 | 169.1 | -63.5 | -172.8 | 174.9 | -172.9 | 0 | 109.2 | ||||
| 296 | Q | 36.8 | Very low | 35.1 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | -119.7 | 153.7 | 164.9 | -72.1 | -73.3 | 9.2 | 0 | 0 | 109.4 | ||||
| 297 | P | 38.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 159.6 Ų | 159.6 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -111 | 153.6 | -146.8 | 27.3 | -8.6 | 0 | 0 | 0 | 114.5 | ||||
| 298 | L | 36.9 | Very low | 34.4 | Very low | 168 Ų | 168 | 159 Ų | 159 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 143.5 | 175.3 | -164.3 | 72.4 | 0 | 0 | 0 | 111.1 | ||
| 299 | P | 39.8 | Very low | 34 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 147 | -175.5 | 30.1 | -32.6 | 0 | 0 | 0 | 114.4 | ||
| 300 | K | 35 | Very low | 33.8 | Very low | 205 Ų | 205 | 155.9 Ų | 155.9 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 142.3 | -177.3 | -59.9 | 168.1 | 179.2 | 175.8 | 0 | 111.7 | ||
| 301 | R | 35.8 | Very low | 33.5 | Very low | 251 Ų | 251 | 156.3 Ų | 156.3 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | trans | -124.1 | 139.5 | 157 | -73.8 | -178.1 | 96.3 | 132.6 | -1.2 | 110.7 | ||||
| 302 | T | 35.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 159.7 Ų | 159.7 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | -82.1 | 146.9 | -166 | 44.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 303 | A | 30 | Very low | 33.2 | Very low | 94 Ų | 94 | 157.8 Ų | 157.8 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -77.8 | 145.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 304 | K | 32.5 | Very low | 32.7 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | 167.8 | 144 | 114.1 | -112.6 | 179.3 | 170.1 | 166.9 | 0 | 114.9 | |||||
| 305 | L | 29.3 | Very low | 32.4 | Very low | 159 Ų | 159 | 151 Ų | 151 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 95.6 | 134.6 | 138.9 | -77 | 161.8 | 0 | 0 | 0 | 121.7 | ||||
| 306 | A | 29.4 | Very low | 32.3 | Very low | 81 Ų | 81 | 150 Ų | 150 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -89.1 | 167.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 307 | R | 28.3 | Very low | 32.1 | Very low | 230 Ų | 230 | 151.2 Ų | 151.2 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -178.5 | 129.2 | 132 | -101.2 | 177.3 | -100.7 | -175.2 | -6.4 | 114.2 | ||||
| 308 | L | 28.8 | Very low | 31.8 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 80% | 0.801 | 82% | 0.824 | S | S | * | * | trans | 55.1 | 115.5 | 137.5 | -54.8 | 175.6 | 0 | 0 | 0 | 119.6 | ||||
| 309 | S | 26.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | 85.4 | 110 | 71 | 170.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 310 | S | 28.5 | Very low | 31.2 | Very low | 116 Ų | 116 | 155 Ų | 155 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | 178.3 | 118.6 | 128 | 51.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 311 | S | 29.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -79.3 | 169.9 | 158.7 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 312 | P | 35.2 | Very low | 31.1 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | -145.2 | 158.9 | 98 | 32.6 | -13.7 | 0 | 0 | 0 | 116.5 | |||||
| 313 | L | 31.6 | Very low | 31 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 158.7 | 174.8 | -91.7 | 76 | 0 | 0 | 0 | 115.5 | ||||
| 314 | L | 27.4 | Very low | 31.3 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | 167 | 141.3 | 133.5 | -95.1 | 170.7 | 0 | 0 | 0 | 107.7 | ||||
| 315 | T | 28.3 | Very low | 31.5 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | cis | -160.3 | 160.4 | 6.3 | -9.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 316 | Q | 34.5 | Very low | 32.3 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -113.6 | 122.1 | -177.7 | 165.5 | 178.1 | -18.2 | 0 | 0 | 109.6 | ||||
| 317 | E | 32.2 | Very low | 32.8 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -177.6 | 132.4 | 162.3 | -120.1 | 168.2 | 175.5 | 0 | 0 | 105.4 | ||||
| 318 | E | 34 | Very low | 33.9 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | cis | -157.5 | 155.9 | 20.3 | -159.3 | 174.6 | 168.8 | 0 | 0 | 107.5 | ||||
| 319 | Q | 32.2 | Very low | 34.6 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -95.8 | 160.3 | -168.3 | -66.1 | 170.5 | -36.4 | 0 | 0 | 112.6 | ||||
| 320 | T | 30.8 | Very low | 36.4 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | 96.8 | 105.4 | 144 | -33.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 321 | E | 34 | Very low | 38 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | -179.3 | 123.8 | 120.7 | -102.5 | -178.2 | -177.9 | 0 | 0 | 112.5 | |||||
| 322 | L | 35.8 | Very low | 39.2 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | 64.8 | 129.4 | 156 | -48.1 | 173.7 | 0 | 0 | 0 | 116.9 | ||||
| 323 | G | 32.7 | Very low | 40.2 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | 161.7 | 129.9 | 11.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | L325 | G323-L325 PolarHBondContact O-N 2.64Š| ||
| 324 | S | 37.5 | Very low | 41.6 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 74% | 0.74 | S | S | * | * | trans | -63.3 | 115.4 | -171.8 | -159.1 | 0 | 0 | 0 | 0 | 111.8 | K326 | S324-K326 PolarHBondContact O-N 2.86Š| ||
| 325 | L | 36.1 | Very low | 43.2 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 91% | 0.911 | 73% | 0.726 | S | S | * | * | trans | -94.3 | 80.5 | 175.5 | -125.5 | 144.6 | 0 | 0 | 0 | 109.4 | G323 | G323-L325 PolarHBondContact O-N 2.64Š| ||
| 326 | K | 46.3 | Very low | 44.3 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -90.5 | 87.8 | 163 | -176 | 161.9 | 178.8 | 176.8 | 0 | 107.2 | S324 | S324-K326 PolarHBondContact O-N 2.86Š| ||
| 327 | G | 39.4 | Very low | 45.3 | Very low | 58 Ų | 58 | 133.6 Ų | 133.6 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | trans | -91.3 | 110.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F329 | G327-F329 PolarHBondContact O-N 3.4Š| ||
| 328 | D | 50.7 | Low | 46.2 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 87% | 0.866 | 70% | 0.695 | S | S | * | * | trans | -68.2 | 116.9 | 162.7 | -164.9 | 7.4 | 0 | 0 | 0 | 107.2 | D330 | D328-D330 PolarHBondContact O-N 3.31Š| ||
| 329 | F | 45.2 | Very low | 47.2 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | trans | -95.7 | 97.9 | -175.7 | -149.4 | -89.8 | 0 | 0 | 0 | 108.1 | G327 W331 I334 | G327-F329 PolarHBondContact O-N 3.4Å; F329-W331 PolarHBondContact O-N 3.35Å; F329-I334 HydrophobicContact CE1-CD1 4.27Å | ||
| 330 | D | 62.4 | Low | 48.3 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 49% | 0.492 | 69% | 0.687 | S | S | . | * | trans | -81.9 | 109 | -178.4 | -176.1 | 11.3 | 0 | 0 | 0 | 110.7 | D328 E332 | D328-D330 PolarHBondContact O-N 3.31Å; D330-E332 VanDerWaalsContact C-N 3.29Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.9Å | ||
| 331 | W | 63.1 | Low | 48.7 | Very low | 164 Ų | 164 | 123 Ų | 123 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -71.9 | -21.7 | 176.3 | -75.1 | 94.6 | 0 | 0 | 0 | 112.5 | F329 F335 | F329-W331 PolarHBondContact O-N 3.35Å; W331-F335 HydrophobicContact CE3-CE2 4.32Å; W331-F335 WeakPolarHBondContact O-CD2 3.28Å |
| 332 | E | 53.2 | Low | 48.9 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.1 | -32.1 | -176.4 | -66.6 | -157.8 | 153.7 | 0 | 0 | 112.5 | D330 I334 F335 D336 | D330-E332 VanDerWaalsContact C-N 3.29Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.9Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 PolarHBondContact O-N 3.49Å; E332-F335 PolarHBondContact O-N 3.29Å; E332-D336 PolarHBondContact O-N 2.88Å; E332-D336 VanDerWaalsContact O-N 3.1Å |
| 333 | A | 56.5 | Low | 49.1 | Very low | 54 Ų | 54 | 124.9 Ų | 124.9 | 45% | 0.446 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -64.9 | -26.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T337 | A333-T337 WeakPolarHBondContact O-CG2 3.38Å; A333-T337 PolarHBondContact O-OG1 3.03Å |
| 334 | I | 61 | Low | 49.7 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 42% | 0.421 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -79.9 | -35.2 | 179.2 | -59.7 | 177.7 | 0 | 0 | 0 | 110.8 | F329 E332 T337 T338 | F329-I334 HydrophobicContact CE1-CD1 4.27Å; E332-I334 VanDerWaalsContact C-N 3.27Å; E332-I334 PolarHBondContact O-N 3.49Å; I334-T337 PolarHBondContact O-OG1 3.33Å; I334-T338 PolarHBondContact O-OG1 3.49Å |
| 335 | F | 61.1 | Low | 49.8 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 54% | 0.544 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -78.9 | -33.9 | -179.6 | -72.2 | -67 | 0 | 0 | 0 | 112.3 | W331 E332 T338 L339 | W331-F335 HydrophobicContact CE3-CE2 4.32Å; W331-F335 WeakPolarHBondContact O-CD2 3.28Å; E332-F335 PolarHBondContact O-N 3.29Å; F335-T338 PolarHBondContact O-N 3.03Å; F335-T338 PolarHBondContact O-OG1 3.49Å; F335-T338 VanDerWaalsContact O-OG1 3.08Å; F335-L339 PolarHBondContact O-N 3.03Å |
| 336 | D | 51.6 | Low | 50.1 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 54% | 0.54 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -73.9 | -29.1 | 179.8 | -77.3 | -15.2 | 0 | 0 | 0 | 113.4 | E332 T338 N340 | E332-D336 PolarHBondContact O-N 2.88Å; E332-D336 VanDerWaalsContact O-N 3.1Å; D336-T338 VanDerWaalsContact C-N 3.29Å; D336-T338 PolarHBondContact O-N 3.19Å; D336-N340 PolarHBondContact O-N 3.33Å |
| 337 | T | 55.8 | Low | 50.2 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.5 | -18.4 | 177.2 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | A333 I334 | A333-T337 WeakPolarHBondContact O-CG2 3.38Å; A333-T337 PolarHBondContact O-OG1 3.03Å; I334-T337 PolarHBondContact O-OG1 3.33Å |
| 338 | T | 50.7 | Low | 50.3 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 64% | 0.638 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -95.8 | -15.4 | 178.4 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | I334 F335 D336 | I334-T338 PolarHBondContact O-OG1 3.49Å; F335-T338 PolarHBondContact O-N 3.03Å; F335-T338 PolarHBondContact O-OG1 3.49Å; F335-T338 VanDerWaalsContact O-OG1 3.08Å; D336-T338 VanDerWaalsContact C-N 3.29Å; D336-T338 PolarHBondContact O-N 3.19Å |
| 339 | L | 54.8 | Low | 49.7 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -110.5 | -14.8 | -177.7 | -67.6 | 176.3 | 0 | 0 | 0 | 114.6 | F335 | F335-L339 PolarHBondContact O-N 3.03Å |
| 340 | N | 54.9 | Low | 49.5 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -113.9 | 18.4 | -179.9 | -87.1 | 15.6 | 0 | 0 | 0 | 115.5 | D336 | D336-N340 PolarHBondContact O-N 3.33Š|
| 341 | G | 40.7 | Very low | 48.5 | Very low | 57 Ų | 57 | 136.3 Ų | 136.3 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | trans | -95.8 | 109.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 342 | D | 37.4 | Very low | 47.1 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -47.9 | 131.1 | -177.8 | -67.3 | -49 | 0 | 0 | 0 | 116 | S344 | D342-S344 PolarHBondContact O-N 3.22Š| ||
| 343 | F | 39.8 | Very low | 46.5 | Very low | 220 Ų | 220 | 132.3 Ų | 132.3 | 97% | 0.965 | 73% | 0.725 | S | S | * | * | trans | -72.7 | 82.1 | 166.3 | -73.4 | -89.7 | 0 | 0 | 0 | 110.4 | ||||
| 344 | S | 46 | Very low | 46 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -158 | 74.4 | 167.7 | -148.6 | 0 | 0 | 0 | 0 | 113.2 | D342 | D342-S344 PolarHBondContact O-N 3.22Š| ||
| 345 | S | 38.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -170.3 | 70.3 | 152.1 | -180 | 0 | 0 | 0 | 0 | 109 | ||||
| 346 | F | 42.2 | Very low | 43.1 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -104.7 | 75.9 | 169.9 | -163.9 | -87.4 | 0 | 0 | 0 | 107.6 | ||||
| 347 | E | 48.9 | Very low | 42.2 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -172 | 73.9 | 167.6 | -117.9 | 176.4 | -174 | 0 | 0 | 109 | ||||
| 348 | D | 41.8 | Very low | 41 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | 173.8 | 104 | 138.5 | -119.1 | -7.8 | 0 | 0 | 0 | 109.3 | ||||
| 349 | L | 38.8 | Very low | 40.1 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | 173.1 | 99.4 | 129.6 | -110.6 | 90.8 | 0 | 0 | 0 | 108.5 | |||||
| 350 | E | 40.8 | Very low | 39.1 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -77.1 | 138 | 167.5 | -94.2 | -169.8 | 156.6 | 0 | 0 | 111.8 | ||||
| 351 | L | 41.6 | Very low | 38 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 64.7 | 121.4 | 145.2 | -55.4 | 163.2 | 0 | 0 | 0 | 116.7 | ||||
| 352 | T | 33.1 | Very low | 37.7 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | cis | 172.7 | -176.9 | 34.9 | 13.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 353 | P | 41.3 | Very low | 37.4 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | -114.8 | -176.4 | -60.1 | 39.3 | -22.3 | 0 | 0 | 0 | 111.7 | |||||
| 354 | P | 45.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 129.3 | -172.1 | 33.9 | -28.4 | 0 | 0 | 0 | 112.3 | ||||
| 355 | I | 29.3 | Very low | 36.8 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -136.1 | 131.8 | 170.8 | -50.1 | 178 | 0 | 0 | 0 | 110 | ||||
| 356 | S | 31.7 | Very low | 36.5 | Very low | 103 Ų | 103 | 148 Ų | 148 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -43.3 | 164.5 | 179.7 | -43.3 | 0 | 0 | 0 | 0 | 116.8 | I358 | S356-I358 PolarHBondContact O-N 2.94Š| ||
| 357 | P | 33 | Very low | 36.1 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 119 | -169.4 | 30.7 | -30.6 | 0 | 0 | 0 | 110.7 | ||
| 358 | I | 30.6 | Very low | 35.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 124.7 | 172.9 | -142.5 | 165.9 | 0 | 0 | 0 | 108.8 | S356 | S356-I358 PolarHBondContact O-N 2.94Š|
| 359 | T | 30.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129.5 | 168.9 | 45.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 360 | R | 34.8 | Very low | 34.1 | Very low | 227 Ų | 227 | 143.6 Ų | 143.6 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -106.8 | 107.5 | 169 | -72.7 | -168.1 | 168.9 | 123.3 | 0.1 | 109.7 | ||||
| 361 | D | 30.2 | Very low | 33.7 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -70 | 125.5 | 156.4 | -119.4 | -21.6 | 0 | 0 | 0 | 108.5 | ||||
| 362 | V | 35.1 | Very low | 33.1 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -140.7 | 115.3 | 156.7 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 363 | D | 30.9 | Very low | 32.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | -82.1 | 135.1 | -179.2 | -173.8 | 18.5 | 0 | 0 | 0 | 111.3 | ||||
| 364 | L | 36 | Very low | 32.5 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -138.5 | 96.3 | 164.5 | -83.2 | 172.8 | 0 | 0 | 0 | 108.7 | ||||
| 365 | T | 37.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | -64.3 | 139.9 | 168.5 | 39.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 366 | V | 32.5 | Very low | 31.8 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -167.6 | 113.9 | 142.2 | 140.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 367 | H | 33.3 | Very low | 31.6 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | 51.8 | 117.8 | 149 | -57.9 | -49.3 | 0 | 0 | 0 | 124.1 | ||||
| 368 | G | 28.3 | Very low | 31.4 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 165.5 | 102.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 369 | R | 31.9 | Very low | 32.1 | Very low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -40.8 | 153.4 | 170.4 | -67.3 | 169.1 | 155 | -130.8 | -0.8 | 113.1 | ||||
| 370 | H | 29.2 | Very low | 32 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | 177 | 138.4 | 50.7 | -164.6 | -124.9 | 0 | 0 | 0 | 112.5 | |||||
| 371 | I | 30.6 | Very low | 31.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 58% | 0.579 | 77% | 0.765 | S | S | * | * | trans | 62 | 101.8 | 148.7 | -66.9 | -167.3 | 0 | 0 | 0 | 118.2 | ||||
| 372 | D | 29.5 | Very low | 31.7 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | 88.1 | 115.5 | 75.4 | -69.1 | -36.9 | 0 | 0 | 0 | 113 | |||||
| 373 | C | 30.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -117.7 | 129 | 166 | -165.2 | 0 | 0 | 0 | 0 | 107.4 | Q375 | C373-Q375 PolarHBondContact O-N 3.03Š| ||
| 374 | P | 32 | Very low | 31.5 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -78.3 | 123.6 | -174.2 | -7.7 | 24.6 | 0 | 0 | 0 | 112.5 | ||||
| 375 | Q | 30.9 | Very low | 31.2 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | 8.4 | 136.7 | 112 | -135.9 | 136.6 | -16.7 | 0 | 0 | 114.9 | C373 | C373-Q375 PolarHBondContact O-N 3.03Š| |||
| 376 | E | 29.5 | Very low | 30.9 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | cis | 174.2 | 175.7 | 40 | -149.7 | 159.8 | -139.9 | 0 | 0 | 108.4 | ||||
| 377 | W | 26.6 | Very low | 30.8 | Very low | 223 Ų | 223 | 143.3 Ų | 143.3 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 89.2 | 104.3 | 158.7 | -101.7 | -73.9 | 0 | 0 | 0 | 121.4 | ||||
| 378 | C | 29 | Very low | 30.6 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -93.5 | 169 | 139.3 | -53 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 379 | P | 45.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | cis | -139.3 | -166 | -1.3 | 28.1 | -1.6 | 0 | 0 | 0 | 113.3 | ||||
| 380 | V | 29 | Very low | 30.5 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | 101 | 113.4 | 157 | -175.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 381 | G | 28.1 | Very low | 30.6 | Very low | 67 Ų | 67 | 142.2 Ų | 142.2 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | 97.9 | 132.7 | 119.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 382 | H | 31.4 | Very low | 30.7 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 95.4 | 126.3 | 152.6 | -87.1 | -79.4 | 0 | 0 | 0 | 121.9 | ||||
| 383 | D | 29.1 | Very low | 30.8 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -50.8 | 146 | 166.9 | -55.9 | -65.2 | 0 | 0 | 0 | 114.7 | ||||
| 384 | Q | 31.9 | Very low | 31.6 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | 162.7 | 121.9 | 114.2 | -88.9 | 175.5 | 41.3 | 0 | 0 | 113.5 | |||||
| 385 | I | 29.4 | Very low | 32.1 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | 65.7 | 115.2 | 123.8 | -60.6 | 177 | 0 | 0 | 0 | 120.9 | |||||
| 386 | L | 30.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | 55.9 | 123.1 | 142.5 | -61.6 | 168.9 | 0 | 0 | 0 | 121.3 | ||||
| 387 | T | 30.5 | Very low | 33.1 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | -167.8 | 144.9 | 118.7 | 15.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 388 | E | 30 | Very low | 34.2 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -67.5 | 151.4 | -177.8 | -60.7 | 171.5 | 121.3 | 0 | 0 | 114 | ||||
| 389 | S | 28.6 | Very low | 35.1 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 161.4 | 114.4 | 114.2 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 390 | N | 28.5 | Very low | 35 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 14.1 | 113.6 | 134.4 | -114.5 | -41.4 | 0 | 0 | 0 | 119.7 | ||||
| 391 | Q | 31.6 | Very low | 36 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 162.3 | 126.9 | 111.3 | -88.2 | 167.9 | 52.5 | 0 | 0 | 113.1 | |||||
| 392 | N | 32.8 | Very low | 36.8 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 45 | 103.7 | 145.4 | -63.1 | -11.4 | 0 | 0 | 0 | 120.6 | ||||
| 393 | S | 32.7 | Very low | 37.6 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -172.2 | 79.9 | 140.1 | 178 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 394 | L | 45.8 | Very low | 38.2 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | trans | -94.5 | 88 | 165.9 | -86.3 | 165.7 | 0 | 0 | 0 | 107.9 | ||||
| 395 | D | 43 | Very low | 38.9 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -160.5 | 32.4 | 164.6 | -136.4 | 16.7 | 0 | 0 | 0 | 114.1 | ||||
| 396 | F | 36.5 | Very low | 39.7 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -142.9 | 33.4 | -175.3 | -125.6 | -86.7 | 0 | 0 | 0 | 116.4 | ||
| 397 | D | 45.6 | Very low | 40.6 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -120.8 | -4.5 | 176.7 | -105.7 | -4.1 | 0 | 0 | 0 | 115.2 | ||
| 398 | E | 49.8 | Very low | 41.3 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -80.2 | -21.1 | 179.8 | -159 | 167.3 | -165.6 | 0 | 0 | 112.9 | ||
| 399 | T | 47 | Very low | 41.9 | Very low | 104 Ų | 104 | 143 Ų | 143 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -86.5 | -20.7 | -177.6 | -50.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 400 | F | 42.1 | Very low | 42.6 | Very low | 169 Ų | 169 | 150 Ų | 150 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -93.2 | -3.8 | -174.5 | -124.7 | -91.6 | 0 | 0 | 0 | 114.8 | ||
| 401 | M | 51.7 | Low | 42.8 | Very low | 142 Ų | 142 | 151 Ų | 151 | 70% | 0.7 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -93.4 | -10.8 | 169.1 | -75.3 | -129.3 | 68.8 | 0 | 0 | 113.7 | ||
| 402 | A | 44.8 | Very low | 43.3 | Very low | 80 Ų | 80 | 152.1 Ų | 152.1 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -84.2 | -12.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 403 | T | 47.5 | Very low | 43.4 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -108.3 | -4.3 | -173.6 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | F405 | T403-F405 PolarHBondContact O-N 2.91Š|
| 404 | S | 41.9 | Very low | 43.3 | Very low | 76 Ų | 76 | 154.6 Ų | 154.6 | 53% | 0.531 | 79% | 0.785 | S | S | . | * | G | 310 helix | trans | -76.9 | -3.8 | 179.7 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 405 | F | 46.8 | Very low | 42.8 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -92.2 | 4.2 | -176.8 | -92.1 | -81.6 | 0 | 0 | 0 | 115.7 | T403 | T403-F405 PolarHBondContact O-N 2.91Š|
| 406 | L | 46.8 | Very low | 42.3 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -125.4 | 27.5 | -178.5 | -73.5 | 176.8 | 0 | 0 | 0 | 114.9 | ||
| 407 | Q | 48.1 | Very low | 42.2 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -133.9 | 39.2 | -179.2 | -158 | 118.7 | 42.6 | 0 | 0 | 115.6 | ||
| 408 | H | 45.9 | Very low | 41.7 | Very low | 183 Ų | 183 | 154.6 Ų | 154.6 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -143.7 | 120 | 155.9 | -71.8 | -62.6 | 0 | 0 | 0 | 111.6 | ||||
| 409 | P | 41.7 | Very low | 40.8 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -63.7 | 147.6 | 168.9 | -15.8 | 29.8 | 0 | 0 | 0 | 110.8 | D411 | P409-D411 PolarHBondContact O-N 3.24Å; P409-D411 VanDerWaalsContact O-N 3.1Å | ||
| 410 | W | 43.5 | Very low | 40.1 | Very low | 261 Ų | 261 | 154.2 Ų | 154.2 | 99% | 0.989 | 79% | 0.788 | S | S | * | * | trans | -50.3 | 112.6 | 172.6 | -57.4 | 83.5 | 0 | 0 | 0 | 110.5 | ||||
| 411 | D | 33.2 | Very low | 39.8 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -100.9 | 118 | 172.8 | -149.5 | 4.5 | 0 | 0 | 0 | 108.7 | P409 | P409-D411 PolarHBondContact O-N 3.24Å; P409-D411 VanDerWaalsContact O-N 3.1Å | ||
| 412 | E | 42.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -99.1 | 107.7 | -176.8 | -171.2 | 138 | -158.4 | 0 | 0 | 109 | ||||
| 413 | G | 34.8 | Very low | 38.3 | Very low | 72 Ų | 72 | 152.2 Ų | 152.2 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 87.7 | 116 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 414 | R | 31 | Very low | 37.8 | Very low | 245 Ų | 245 | 153.6 Ų | 153.6 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | -174.5 | 146.9 | 104.7 | -147.6 | 151.3 | 78.6 | -154.9 | 7 | 111.9 | |||||
| 415 | N | 35.8 | Very low | 37.8 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -64.6 | 176.4 | 177.9 | -79.3 | -51.9 | 0 | 0 | 0 | 114.9 | ||||
| 416 | D | 31.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 64% | 0.642 | 82% | 0.822 | S | S | * | * | trans | 102.6 | 111.4 | 163.8 | -46 | -26.5 | 0 | 0 | 0 | 110.4 | ||||
| 417 | Y | 34.8 | Very low | 37.5 | Very low | 204 Ų | 204 | 155.7 Ų | 155.7 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | -157.6 | 128.5 | 50 | -67.1 | -94.7 | 0 | 0 | 0 | 110.8 | |||||
| 418 | L | 35.3 | Very low | 37.1 | Very low | 180 Ų | 180 | 156.3 Ų | 156.3 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | trans | -155.8 | 90 | 134.3 | -84.9 | -168.6 | 0 | 0 | 0 | 108.1 | ||||
| 419 | S | 31.4 | Very low | 36.8 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -64.8 | 125.5 | 163.6 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 420 | N | 31.1 | Very low | 36.9 | Very low | 168 Ų | 168 | 159 Ų | 159 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -135.9 | 112.9 | 139.1 | -104.7 | -13.3 | 0 | 0 | 0 | 107.9 | ||||
| 421 | S | 35.2 | Very low | 36.5 | Very low | 108 Ų | 108 | 153.9 Ų | 153.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -77.1 | 128.6 | -169.4 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 422 | V | 34.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -141.5 | 115.5 | 143.9 | -177.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 423 | S | 30.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -73.8 | 127.2 | 179.4 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 424 | V | 38.5 | Very low | 36.2 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -104.2 | 2.2 | 179.8 | -129.8 | 0 | 0 | 0 | 0 | 113 | Q426 | V424-Q426 PolarHBondContact O-N 3.46Š| ||
| 425 | D | 40.5 | Very low | 36.5 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 31.1 | -173.4 | -68.4 | -34.4 | 0 | 0 | 0 | 114.1 | ||
| 426 | Q | 46.1 | Very low | 36.9 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | 27.4 | 176.8 | -140.6 | 173.3 | 11.4 | 0 | 0 | 115.4 | V424 | V424-Q426 PolarHBondContact O-N 3.46Š|
| 427 | L | 42.2 | Very low | 37.1 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 71% | 0.707 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -141.4 | 109.2 | 173.3 | -145.8 | 72.2 | 0 | 0 | 0 | 111.1 | ||
| 428 | F | 39.1 | Very low | 37.1 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 95.7 | 43.8 | 172.4 | -48.6 | -69.5 | 0 | 0 | 0 | 118 | L430 | F428-L430 PolarHBondContact O-N 3.48Š| ||
| 429 | E | 40.7 | Very low | 37.2 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -63.8 | 104.4 | 121.4 | -80.9 | -170.6 | 157.2 | 0 | 0 | 107.6 | |||||
| 430 | L | 42.8 | Very low | 37.4 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 165.9 | 79 | 157.2 | -93.6 | 165.5 | 0 | 0 | 0 | 107.7 | F428 | F428-L430 PolarHBondContact O-N 3.48Š| ||
| 431 | N | 35.1 | Very low | 37.8 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -170.5 | 64.2 | 143.9 | -158 | 48.2 | 0 | 0 | 0 | 112.8 | ||||
| 432 | D | 34 | Very low | 38.1 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -132.1 | 100.4 | 157.6 | -96.6 | -31.6 | 0 | 0 | 0 | 109 | ||||
| 433 | T | 34 | Very low | 38.4 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -156.9 | 111.9 | 153.7 | -15.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 434 | S | 35.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 64.7 | 119.1 | 145 | 60.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 435 | L | 38.3 | Very low | 39 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -42 | 158.7 | 149.7 | -67.8 | 163.1 | 0 | 0 | 0 | 113.6 | ||||
| 436 | P | 43.3 | Very low | 39 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | -138.5 | 147.9 | 96.8 | 34.8 | -20.2 | 0 | 0 | 0 | 116 | |||||
| 437 | V | 37.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -27.9 | 131.7 | 149.1 | 170.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 438 | D | 34.3 | Very low | 38.9 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 177.8 | 135.4 | 107.7 | -116.8 | -24.5 | 0 | 0 | 0 | 115.7 | |||||
| 439 | V | 36.8 | Very low | 38.9 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.655 | 80% | 0.795 | S | S | * | * | trans | 45.8 | 130.8 | 145.6 | -75.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 440 | N | 36.5 | Very low | 38.8 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 87.7 | 104 | 131.3 | -66.4 | -9.8 | 0 | 0 | 0 | 122.1 | ||||
| 441 | D | 38.2 | Very low | 38.6 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | 63.2 | 96.6 | 112.4 | -155.7 | 14.9 | 0 | 0 | 0 | 118.7 | |||||
| 442 | W | 41.1 | Very low | 38.8 | Very low | 240 Ų | 240 | 137.8 Ų | 137.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -137.6 | 78.4 | 149.5 | -86.6 | 73 | 0 | 0 | 0 | 109.4 | ||||
| 443 | S | 40.6 | Very low | 39.1 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -59.8 | 142.7 | 143.4 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 444 | S | 38.2 | Very low | 39.4 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 92.8 | 86.4 | 179.3 | -169.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 445 | V | 44.9 | Very low | 39.7 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -152 | 91 | 116.2 | -122.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 446 | G | 40.2 | Very low | 39.8 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 153.6 | 145 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 447 | S | 41.7 | Very low | 39.5 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 85.2 | 101.8 | -174.7 | -46.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 448 | F | 43.3 | Very low | 39.7 | Very low | 195 Ų | 195 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | -179.4 | 123.3 | 101.5 | -96.6 | -77.1 | 0 | 0 | 0 | 109.3 | |||||
| 449 | L | 40 | Very low | 40.1 | Very low | 247 Ų | 247 | 140.3 Ų | 140.3 | 100% | 1.293 | 78% | 0.784 | S | S | * | * | trans | 78.7 | 0 | 171.3 | -70.7 | 156.6 | 0 | 0 | 0 | 118.3 |
Retrieved 449 of 449 residues in 325.4 ms
(Link to these results)