| 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 | 49.8 | Very low | 51.2 | Low | 230 Ų | 230 | 157.4 Ų | 157.4 | 100% | 1.133 | 76% | 0.761 | S | S | * | * | 0 | 34.6 | 0 | -73.7 | -176.9 | -101.5 | 0 | 0 | 113.5 | |||||
| 2 | F | 46.3 | Very low | 50.7 | Low | 194 Ų | 194 | 156.3 Ų | 156.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -109.2 | 11.2 | -178 | -69.9 | -76 | 0 | 0 | 0 | 115 | ||||
| 3 | K | 52.1 | Low | 50.4 | Low | 203 Ų | 203 | 153.4 Ų | 153.4 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -85 | -2.8 | -179 | -64.4 | -174.9 | 177.7 | -178.1 | 0 | 114.3 | ||
| 4 | K | 55.5 | Low | 50.2 | Low | 186 Ų | 186 | 154.8 Ų | 154.8 | 81% | 0.809 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -98.6 | -8.7 | -167.1 | -151.9 | 174.4 | -179.4 | -178 | 0 | 115 | ||
| 5 | L | 56.8 | Low | 49.7 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -96.1 | -13.2 | -177.6 | -67.2 | 172.6 | 0 | 0 | 0 | 114.2 | N7 | L5-N7 VanDerWaalsContact C-N 3.34Š|
| 6 | N | 48.9 | Very low | 49.5 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -12 | 179.6 | -106.1 | -23.6 | 0 | 0 | 0 | 114.2 | ||
| 7 | N | 51.6 | Low | 49.1 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -14.3 | 179.4 | -78.8 | 2.4 | 0 | 0 | 0 | 113.7 | L5 F9 | L5-N7 VanDerWaalsContact C-N 3.34Å; N7-F9 VanDerWaalsContact C-N 3.3Å |
| 8 | V | 52.9 | Low | 48.3 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -20.8 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 9 | F | 48.9 | Very low | 47.8 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 7.8 | -178.4 | -62.9 | -74.3 | 0 | 0 | 0 | 114.1 | N7 | N7-F9 VanDerWaalsContact C-N 3.3Š|
| 10 | R | 51.1 | Low | 47 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 57% | 0.574 | 77% | 0.771 | S | S | * | * | trans | -137.1 | 85.8 | 178.7 | -66.2 | -167.1 | 178.3 | -170 | -0.2 | 111.7 | N12 H13 | R10-N12 PolarHBondContact O-N 3.11Å; R10-N12 VanDerWaalsContact O-N 3.15Å; R10-H13 WeakPolarHBondContact CD-NE2 3.41Å; R10-H13 PolarHBondContact NH1-NE2 3.32Å | ||
| 11 | P | 49.1 | Very low | 46.4 | Very low | 110 Ų | 110 | 153.1 Ų | 153.1 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -14.1 | -179.5 | -20.6 | 33 | 0 | 0 | 0 | 114.9 | ||
| 12 | N | 45.6 | Very low | 45.8 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 21.2 | -168.6 | -70.5 | -16 | 0 | 0 | 0 | 115.4 | R10 H14 | R10-N12 PolarHBondContact O-N 3.11Å; R10-N12 VanDerWaalsContact O-N 3.15Å; N12-H14 PolarHBondContact O-N 3.19Å |
| 13 | H | 46 | Very low | 45.1 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 55% | 0.546 | 75% | 0.754 | S | S | . | * | trans | -98.4 | 71.8 | 171.8 | -73.7 | -46.1 | 0 | 0 | 0 | 111.1 | R10 G15 | R10-H13 WeakPolarHBondContact CD-NE2 3.41Å; R10-H13 PolarHBondContact NH1-NE2 3.32Å; H13-G15 VanDerWaalsContact C-N 3.28Å; H13-G15 PolarHBondContact O-N 2.82Å | ||
| 14 | H | 48.7 | Very low | 44.9 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 91.1 | 158.2 | -66.6 | -67.9 | 0 | 0 | 0 | 108.2 | N12 N16 | N12-H14 PolarHBondContact O-N 3.19Å; H14-N16 PolarHBondContact O-N 3.21Å; H14-N16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | G | 42.9 | Very low | 44 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -64.4 | 104.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | H13 R17 | H13-G15 VanDerWaalsContact C-N 3.28Å; H13-G15 PolarHBondContact O-N 2.82Å; G15-R17 PolarHBondContact O-N 3.34Å | ||
| 16 | N | 46.2 | Very low | 43.4 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | -65.1 | 97.4 | 172.9 | -160.8 | 9.4 | 0 | 0 | 0 | 108.1 | H14 | H14-N16 PolarHBondContact O-N 3.21Å; H14-N16 VanDerWaalsContact O-N 3.1Å | ||
| 17 | R | 42.2 | Very low | 43.1 | Very low | 241 Ų | 241 | 135.6 Ų | 135.6 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -130.3 | 102.1 | 174.8 | -137.3 | -176.5 | -165.4 | -167.5 | 3.4 | 108.6 | G15 | G15-R17 PolarHBondContact O-N 3.34Š| ||
| 18 | G | 34.8 | Very low | 42.7 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 87.9 | 86.6 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 19 | R | 39 | Very low | 42.3 | Very low | 257 Ų | 257 | 142.2 Ų | 142.2 | 97% | 0.97 | 77% | 0.771 | S | S | * | * | 35.6 | 112.2 | 123 | -158.3 | -179.8 | -160.3 | -142.3 | 4.4 | 117.3 | |||||
| 20 | G | 32.4 | Very low | 42.1 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 161.9 | 89.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | D | 33.7 | Very low | 41.9 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | 72.2 | 140.2 | 143 | -153.6 | 25.4 | 0 | 0 | 0 | 121.4 | ||||
| 22 | G | 37.3 | Very low | 41.6 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 12.9 | 127.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 23 | G | 31.6 | Very low | 41.4 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 147.2 | 113.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H25 | G23-H25 PolarHBondContact O-N 3.03Š| ||
| 24 | L | 47 | Very low | 41.4 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 100% | 0.995 | 78% | 0.782 | S | S | * | * | trans | -48.4 | 104.1 | 162.5 | -75.6 | 128.2 | 0 | 0 | 0 | 110 | ||||
| 25 | H | 38.1 | Very low | 41.1 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -131.3 | 99 | 164.1 | -152.5 | -40.4 | 0 | 0 | 0 | 107.7 | G23 D27 | G23-H25 PolarHBondContact O-N 3.03Å; H25-D27 PolarHBondContact O-N 3.39Å | ||
| 26 | G | 43 | Very low | 41 | Very low | 62 Ų | 62 | 141.8 Ų | 141.8 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | trans | -55 | 132.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y28 | G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 3.32Å | ||
| 27 | D | 42.5 | Very low | 40.8 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -62 | 87 | 178.1 | -77.9 | -42.5 | 0 | 0 | 0 | 110.5 | H25 H29 S30 | H25-D27 PolarHBondContact O-N 3.39Å; D27-H29 PolarHBondContact O-N 3.42Å; D27-S30 PolarHBondContact O-OG 2.99Å | ||
| 28 | Y | 43.1 | Very low | 40.7 | Very low | 201 Ų | 201 | 139 Ų | 139 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 0.4 | 174.7 | -153.3 | -95.5 | 0 | 0 | 0 | 112.8 | G26 | G26-Y28 VanDerWaalsContact C-N 3.31Å; G26-Y28 PolarHBondContact O-N 3.32Å |
| 29 | H | 44.6 | Very low | 40.9 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -1.4 | -174.4 | -64 | -47.6 | 0 | 0 | 0 | 114.4 | D27 | D27-H29 PolarHBondContact O-N 3.42Š|
| 30 | S | 46.3 | Very low | 41.1 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -81.6 | -17.1 | 176.6 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | D27 | D27-S30 PolarHBondContact O-OG 2.99Š|
| 31 | A | 45.1 | Very low | 41.6 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -93.3 | 2.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 32 | C | 43.2 | Very low | 41.8 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -132 | 54.7 | -173.1 | -152.4 | 0 | 0 | 0 | 0 | 113.2 | V34 | C32-V34 PolarHBondContact O-N 3.45Š| ||
| 33 | T | 42.2 | Very low | 41.9 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -90.8 | 79.1 | 162.5 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | R35 | T33-R35 PolarHBondContact O-N 3.3Š| ||
| 34 | V | 45.6 | Very low | 42.3 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -72.1 | 109.9 | 172.4 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | C32 | C32-V34 PolarHBondContact O-N 3.45Š| ||
| 35 | R | 42.1 | Very low | 42.3 | Very low | 227 Ų | 227 | 140.3 Ų | 140.3 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -86.2 | 110.6 | 168.5 | -66.1 | 178.5 | 91.2 | 173.2 | 4.8 | 107.9 | T33 V37 | T33-R35 PolarHBondContact O-N 3.3Å; R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 3.15Å | ||
| 36 | L | 40.6 | Very low | 42.1 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -65.4 | 93.7 | 167.6 | -101.3 | 146 | 0 | 0 | 0 | 108.8 | R38 | L36-R38 PolarHBondContact O-N 2.97Š| ||
| 37 | V | 42 | Very low | 42.1 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | -72.8 | 118.8 | 164.4 | 179.6 | 0 | 0 | 0 | 0 | 106.6 | R35 S39 | R35-V37 VanDerWaalsContact C-N 3.33Å; R35-V37 PolarHBondContact O-N 3.15Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 2.92Å | ||
| 38 | R | 39.6 | Very low | 41.8 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 80.8 | -179.7 | -164.2 | -174.4 | -170.4 | 122.7 | -0.5 | 109.3 | L36 T40 | L36-R38 PolarHBondContact O-N 2.97Å; R38-T40 HydrophobicContact CG-CG2 4.45Å; R38-T40 PolarHBondContact O-N 3.11Å | ||
| 39 | S | 39.5 | Very low | 41.8 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 104.4 | 172.7 | 68.9 | 0 | 0 | 0 | 0 | 109.5 | V37 S41 | V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 2.92Å; S39-S41 PolarHBondContact O-N 2.71Å | ||
| 40 | T | 44.6 | Very low | 41.4 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -92.7 | 87.4 | 169.5 | 53.5 | 0 | 0 | 0 | 0 | 109 | R38 M42 | R38-T40 HydrophobicContact CG-CG2 4.45Å; R38-T40 PolarHBondContact O-N 3.11Å; T40-M42 PolarHBondContact O-N 2.69Å | ||
| 41 | S | 42.8 | Very low | 41.3 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 112.6 | 165.8 | 56.5 | 0 | 0 | 0 | 0 | 108.8 | S39 | S39-S41 PolarHBondContact O-N 2.71Š| ||
| 42 | M | 37.3 | Very low | 40.7 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -85.6 | 127.4 | 167.2 | -68 | -163.6 | -43.9 | 0 | 0 | 109.2 | T40 | T40-M42 PolarHBondContact O-N 2.69Š| ||
| 43 | L | 39.2 | Very low | 40.6 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -91 | 120.6 | 165.1 | -68.8 | 170.6 | 0 | 0 | 0 | 108.3 | V45 | L43-V45 PolarHBondContact O-N 3.37Š| ||
| 44 | V | 41 | Very low | 40.9 | Very low | 133 Ų | 133 | 149 Ų | 149 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -72.5 | 112.7 | 166.7 | 174.4 | 0 | 0 | 0 | 0 | 107.5 | G46 | V44-G46 PolarHBondContact O-N 2.94Å; V44-G46 VanDerWaalsContact O-N 3.08Å | ||
| 45 | V | 45.8 | Very low | 40.3 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | -77.6 | 89.9 | 170.9 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | L43 | L43-V45 PolarHBondContact O-N 3.37Š| ||
| 46 | G | 34.7 | Very low | 40.2 | Very low | 64 Ų | 64 | 144.1 Ų | 144.1 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | -95.4 | 105.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | V44 | V44-G46 PolarHBondContact O-N 2.94Å; V44-G46 VanDerWaalsContact O-N 3.08Å | ||
| 47 | E | 42.8 | Very low | 40.2 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -0.7 | 119.5 | 157.9 | -156.9 | 171.4 | -159.2 | 0 | 0 | 118.1 | ||||
| 48 | R | 35.3 | Very low | 40.4 | Very low | 245 Ų | 245 | 144.3 Ų | 144.3 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -133.7 | 97.5 | 160.5 | -148.8 | 171.8 | -169.1 | 171.2 | 2.6 | 110.4 | ||||
| 49 | S | 44 | Very low | 40.8 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | trans | -71.5 | 152.4 | 158.9 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | R | 36 | Very low | 40.9 | Very low | 229 Ų | 229 | 145.3 Ų | 145.3 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | 93 | 93.9 | 174.2 | -59.1 | -175.3 | 175.1 | -171.8 | -2 | 116.4 | ||||
| 51 | S | 42.9 | Very low | 41 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -21.3 | 128.3 | 139.3 | 41.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 52 | S | 33.6 | Very low | 41.2 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -145.6 | 114.5 | 143.6 | 75 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 53 | E | 41.5 | Very low | 41.6 | Very low | 200 Ų | 200 | 147 Ų | 147 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -63.1 | 143.1 | 168.4 | -69.8 | 167.6 | 142.8 | 0 | 0 | 110.6 | ||||
| 54 | G | 48.4 | Very low | 41.9 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 98.6 | 81.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 55 | S | 32.6 | Very low | 42.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -112 | 103.7 | 169.2 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 56 | T | 40.7 | Very low | 42.5 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -86.2 | 129.7 | 160.9 | 49.7 | 0 | 0 | 0 | 0 | 108.2 | T58 | T56-T58 PolarHBondContact O-N 3.37Š| ||
| 57 | L | 40 | Very low | 43.4 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -66.4 | 89.9 | -171.3 | -156.9 | 114 | 0 | 0 | 0 | 110.5 | ||||
| 58 | T | 46.2 | Very low | 43.8 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -97.4 | 122.9 | 168.7 | 51.3 | 0 | 0 | 0 | 0 | 109 | T56 S60 | T56-T58 PolarHBondContact O-N 3.37Å; T58-S60 PolarHBondContact O-N 3.36Å | ||
| 59 | R | 48.4 | Very low | 44.4 | Very low | 247 Ų | 247 | 134.4 Ų | 134.4 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 91 | -179 | -164.2 | 179.5 | -173.1 | -173.6 | 2.8 | 109 | K61 | R59-K61 PolarHBondContact O-N 3.27Š| ||
| 60 | S | 40 | Very low | 44.7 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 112.2 | 175.8 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | T58 S62 | T58-S60 PolarHBondContact O-N 3.36Å; S60-S62 PolarHBondContact O-N 3.25Å | ||
| 61 | K | 48.5 | Very low | 45.4 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -73.3 | 105.5 | 161.4 | -79.5 | -178 | 172 | 179 | 0 | 107.4 | R59 | R59-K61 PolarHBondContact O-N 3.27Š| ||
| 62 | S | 45.7 | Very low | 45.8 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -96.5 | 97.4 | 167.8 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | S60 V64 | S60-S62 PolarHBondContact O-N 3.25Å; S62-V64 PolarHBondContact O-N 3.07Å | ||
| 63 | S | 46.3 | Very low | 46.7 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -88.4 | 85.5 | 157 | 55.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 64 | V | 44.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | trans | -130.5 | 109.4 | 169.7 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | S62 I66 | S62-V64 PolarHBondContact O-N 3.07Å; V64-I66 PolarHBondContact O-N 3.04Å | ||
| 65 | S | 49.4 | Very low | 48 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 111.9 | 174.1 | 147.4 | 0 | 0 | 0 | 0 | 109.7 | E67 | S65-E67 VanDerWaalsContact C-N 3.3Š| ||
| 66 | I | 50.3 | Low | 49.3 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | trans | -97.1 | 22.2 | 175.2 | -67.4 | 162.8 | 0 | 0 | 0 | 110.2 | V64 S68 L70 | V64-I66 PolarHBondContact O-N 3.04Å; I66-S68 PolarHBondContact O-N 3.46Å; I66-L70 HydrophobicContact CG2-CD1 3.55Å; I66-L70 HydrophobicContact CG2-CG 4.35Å | ||
| 67 | E | 53.7 | Low | 50.2 | Low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 3 | -153.6 | -145.3 | 145.6 | -155.2 | 0 | 0 | 116.2 | S65 | S65-E67 VanDerWaalsContact C-N 3.3Š|
| 68 | S | 50.4 | Low | 51.2 | Low | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | -22.5 | -171.2 | 56.6 | 0 | 0 | 0 | 0 | 117.6 | I66 | I66-S68 PolarHBondContact O-N 3.46Š|
| 69 | T | 49.2 | Very low | 52 | Low | 93 Ų | 93 | 132.5 Ų | 132.5 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -34.7 | -176.2 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | Y72 Y73 | T69-Y72 PolarHBondContact O-N 3.45Å; T69-Y73 WeakPolarHBondContact O-CD2 3.48Å |
| 70 | L | 50.3 | Low | 52.6 | Low | 112 Ų | 112 | 125.5 Ų | 125.5 | 59% | 0.586 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.7 | -31.4 | 179.9 | -68 | 178.4 | 0 | 0 | 0 | 113 | I66 Y72 Q74 | I66-L70 HydrophobicContact CG2-CD1 3.55Å; I66-L70 HydrophobicContact CG2-CG 4.35Å; L70-Y72 VanDerWaalsContact C-N 3.27Å; L70-Y72 PolarHBondContact O-N 3.44Å; L70-Q74 WeakPolarHBondContact O-CB 3.42Å; L70-Q74 PolarHBondContact O-N 2.92Å; L70-Q74 VanDerWaalsContact O-N 3.14Å |
| 71 | Y | 51 | Low | 53.6 | Low | 140 Ų | 140 | 128.3 Ų | 128.3 | 55% | 0.549 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.6 | -31.6 | 179.2 | -156.6 | -92.4 | 0 | 0 | 0 | 112.4 | R75 | Y71-R75 HydrophobicContact CD1-CG 4.05Å; Y71-R75 HydrophobicContact CE1-CG 3.9Å; Y71-R75 WeakPolarHBondContact O-CB 3.41Å; Y71-R75 VanDerWaalsContact O-CG 3.28Å; Y71-R75 WeakPolarHBondContact O-CG 3.3Å; Y71-R75 PolarHBondContact O-N 3.11Å; Y71-R75 VanDerWaalsContact O-N 3.16Å; Y71-R75 PolarHBondContact OH-NH2 2.9Å; Y71-R75 VanDerWaalsContact OH-NH2 3.15Å |
| 72 | Y | 51.3 | Low | 54.2 | Low | 192 Ų | 192 | 123.2 Ų | 123.2 | 75% | 0.753 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.1 | -41.3 | -179.2 | -111.1 | -85.1 | 0 | 0 | 0 | 112.9 | T69 L70 Q76 | T69-Y72 PolarHBondContact O-N 3.45Å; L70-Y72 VanDerWaalsContact C-N 3.27Å; L70-Y72 PolarHBondContact O-N 3.44Å; Y72-Q76 PolarHBondContact O-N 3.24Å |
| 73 | Y | 52.5 | Low | 54.7 | Low | 171 Ų | 171 | 124.4 Ų | 124.4 | 67% | 0.671 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.5 | -41.6 | 177.7 | -75.3 | -76.5 | 0 | 0 | 0 | 111.9 | T69 R75 Q76 E77 | T69-Y73 WeakPolarHBondContact O-CD2 3.48Å; Y73-R75 VanDerWaalsContact C-N 3.35Å; Y73-R75 PolarHBondContact O-N 3.1Å; Y73-Q76 PolarHBondContact O-N 3.47Å; Y73-E77 PolarHBondContact O-N 3.03Å |
| 74 | Q | 56.7 | Low | 55.4 | Low | 121 Ų | 121 | 121.2 Ų | 121.2 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.8 | -42.5 | 176 | -170.7 | 171.5 | 9.7 | 0 | 0 | 111.9 | L70 Q76 D78 | L70-Q74 WeakPolarHBondContact O-CB 3.42Å; L70-Q74 PolarHBondContact O-N 2.92Å; L70-Q74 VanDerWaalsContact O-N 3.14Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-Q76 PolarHBondContact O-N 3.39Å; Q74-D78 VanDerWaalsContact O-CB 3.29Å; Q74-D78 WeakPolarHBondContact O-CB 3.3Å; Q74-D78 PolarHBondContact O-N 2.96Å |
| 75 | R | 59.7 | Low | 56.1 | Low | 140 Ų | 140 | 121.4 Ų | 121.4 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -33.5 | 175.9 | -81.6 | -73.1 | -170.7 | 174 | 1.8 | 113.6 | Y71 Y73 R79 | Y71-R75 HydrophobicContact CD1-CG 4.05Å; Y71-R75 HydrophobicContact CE1-CG 3.9Å; Y71-R75 WeakPolarHBondContact O-CB 3.41Å; Y71-R75 VanDerWaalsContact O-CG 3.28Å; Y71-R75 WeakPolarHBondContact O-CG 3.3Å; Y71-R75 PolarHBondContact O-N 3.11Å; Y71-R75 VanDerWaalsContact O-N 3.16Å; Y71-R75 PolarHBondContact OH-NH2 2.9Å; Y71-R75 VanDerWaalsContact OH-NH2 3.15Å; Y73-R75 VanDerWaalsContact C-N 3.35Å; Y73-R75 PolarHBondContact O-N 3.1Å; R75-R79 WeakPolarHBondContact O-CB 3.36Å; R75-R79 WeakPolarHBondContact O-CD 3.39Å; R75-R79 WeakPolarHBondContact O-CG 3.43Å; R75-R79 PolarHBondContact O-N 2.96Å |
| 76 | Q | 59.5 | Low | 56.6 | Low | 100 Ų | 100 | 120.2 Ų | 120.2 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -75.1 | -42.7 | -177.8 | -171.7 | 64.1 | 10.3 | 0 | 0 | 111.6 | Y72 Y73 Q74 R79 I80 | Y72-Q76 PolarHBondContact O-N 3.24Å; Y73-Q76 PolarHBondContact O-N 3.47Å; Q74-Q76 VanDerWaalsContact C-N 3.32Å; Q74-Q76 PolarHBondContact O-N 3.39Å; Q76-R79 PolarHBondContact O-N 2.92Å; Q76-I80 HydrophobicContact CG-CD1 4.23Å; Q76-I80 WeakPolarHBondContact O-CD1 3.26Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 2.95Å; Q76-I80 PolarHBondContact O-N 3.44Å |
| 77 | E | 59.4 | Low | 57.2 | Low | 136 Ų | 136 | 120.6 Ų | 120.6 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -41.7 | 175.5 | -67.3 | 179.7 | 173.1 | 0 | 0 | 111.5 | Y73 R79 I80 W81 | Y73-E77 PolarHBondContact O-N 3.03Å; E77-R79 VanDerWaalsContact C-N 3.28Å; E77-R79 PolarHBondContact O-N 3.1Å; E77-I80 PolarHBondContact O-N 3.07Å; E77-W81 WeakPolarHBondContact O-CB 3.09Å; E77-W81 PolarHBondContact O-N 2.98Å |
| 78 | D | 62.4 | Low | 58 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 174.3 | -74.2 | -18.3 | 0 | 0 | 0 | 111.9 | Q74 L82 | Q74-D78 VanDerWaalsContact O-CB 3.29Å; Q74-D78 WeakPolarHBondContact O-CB 3.3Å; Q74-D78 PolarHBondContact O-N 2.96Å; D78-L82 VanDerWaalsContact O-CB 3.25Å; D78-L82 WeakPolarHBondContact O-CB 3.42Å; D78-L82 PolarHBondContact O-N 3.23Å |
| 79 | R | 62.1 | Low | 59.1 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 50% | 0.498 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 173.9 | -77.9 | 173.5 | 78.8 | 179.8 | 5 | 111.2 | R75 Q76 E77 W81 L82 Y83 | R75-R79 WeakPolarHBondContact O-CB 3.36Å; R75-R79 WeakPolarHBondContact O-CD 3.39Å; R75-R79 WeakPolarHBondContact O-CG 3.43Å; R75-R79 PolarHBondContact O-N 2.96Å; Q76-R79 PolarHBondContact O-N 2.92Å; E77-R79 VanDerWaalsContact C-N 3.28Å; E77-R79 PolarHBondContact O-N 3.1Å; R79-W81 VanDerWaalsContact C-N 3.3Å; R79-W81 PolarHBondContact O-N 3.3Å; R79-L82 PolarHBondContact O-N 3.39Å; R79-Y83 HydrophobicContact CB-CD2 4.25Å; R79-Y83 HydrophobicContact CB-CE2 4.1Å; R79-Y83 WeakPolarHBondContact O-CB 3.46Å; R79-Y83 WeakPolarHBondContact O-CD2 3.46Å; R79-Y83 PolarHBondContact O-N 3.45Å |
| 80 | I | 61.7 | Low | 60.8 | Low | 101 Ų | 101 | 117.1 Ų | 117.1 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 179.1 | -65.4 | 161.3 | 0 | 0 | 0 | 110.3 | Q76 E77 Y83 S84 | Q76-I80 HydrophobicContact CG-CD1 4.23Å; Q76-I80 WeakPolarHBondContact O-CD1 3.26Å; Q76-I80 VanDerWaalsContact O-CG1 3.27Å; Q76-I80 WeakPolarHBondContact O-CG1 2.95Å; Q76-I80 PolarHBondContact O-N 3.44Å; E77-I80 PolarHBondContact O-N 3.07Å; I80-Y83 PolarHBondContact O-N 2.91Å; I80-S84 WeakPolarHBondContact O-CB 3.43Å; I80-S84 PolarHBondContact O-N 3.36Å; I80-S84 PolarHBondContact O-OG 3.05Å |
| 81 | W | 61.1 | Low | 62.5 | Low | 165 Ų | 165 | 117.6 Ų | 117.6 | 63% | 0.625 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -48.5 | 175.3 | -168.7 | 84.7 | 0 | 0 | 0 | 111.7 | E77 R79 Y83 S84 Q85 | E77-W81 WeakPolarHBondContact O-CB 3.09Å; E77-W81 PolarHBondContact O-N 2.98Å; R79-W81 VanDerWaalsContact C-N 3.3Å; R79-W81 PolarHBondContact O-N 3.3Å; W81-Y83 PolarHBondContact O-N 3.42Å; W81-S84 PolarHBondContact O-N 3.21Å; W81-S84 PolarHBondContact O-OG 3.15Å; W81-Q85 PolarHBondContact O-N 3.42Å; W81-Q85 VanDerWaalsContact O-N 3.15Å |
| 82 | L | 59.9 | Low | 64.1 | Low | 96 Ų | 96 | 118 Ų | 118 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 176.3 | -165.2 | 76.4 | 0 | 0 | 0 | 111.8 | D78 R79 N86 | D78-L82 VanDerWaalsContact O-CB 3.25Å; D78-L82 WeakPolarHBondContact O-CB 3.42Å; D78-L82 PolarHBondContact O-N 3.23Å; R79-L82 PolarHBondContact O-N 3.39Å; L82-N86 PolarHBondContact O-N 3.03Å; L82-N86 PolarHBondContact O-ND2 3.15Å |
| 83 | Y | 57.6 | Low | 66.1 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.1 | -35.3 | 179.3 | -71.4 | -61.6 | 0 | 0 | 0 | 112.8 | R79 I80 W81 Q85 N86 Q87 | R79-Y83 HydrophobicContact CB-CD2 4.25Å; R79-Y83 HydrophobicContact CB-CE2 4.1Å; R79-Y83 WeakPolarHBondContact O-CB 3.46Å; R79-Y83 WeakPolarHBondContact O-CD2 3.46Å; R79-Y83 PolarHBondContact O-N 3.45Å; I80-Y83 PolarHBondContact O-N 2.91Å; W81-Y83 PolarHBondContact O-N 3.42Å; Y83-Q85 VanDerWaalsContact C-N 3.33Å; Y83-Q85 PolarHBondContact O-N 3.09Å; Y83-N86 PolarHBondContact O-N 3.46Å; Y83-N86 VanDerWaalsContact O-N 3.13Å; Y83-Q87 PolarHBondContact O-N 3.33Å |
| 84 | S | 59.7 | Low | 68 | Low | 52 Ų | 52 | 112.1 Ų | 112.1 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 176.6 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | I80 W81 N86 Q87 N88 | I80-S84 WeakPolarHBondContact O-CB 3.43Å; I80-S84 PolarHBondContact O-N 3.36Å; I80-S84 PolarHBondContact O-OG 3.05Å; W81-S84 PolarHBondContact O-N 3.21Å; W81-S84 PolarHBondContact O-OG 3.15Å; S84-N86 VanDerWaalsContact C-N 3.28Å; S84-N86 PolarHBondContact O-N 3Å; S84-Q87 PolarHBondContact O-N 3.43Å; S84-N88 PolarHBondContact O-ND2 2.84Å |
| 85 | Q | 59.9 | Low | 69.7 | Low | 114 Ų | 114 | 109 Ų | 109 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -29.9 | 174.1 | -170.8 | 163.9 | -2.1 | 0 | 0 | 112 | W81 Y83 | W81-Q85 PolarHBondContact O-N 3.42Å; W81-Q85 VanDerWaalsContact O-N 3.15Å; Y83-Q85 VanDerWaalsContact C-N 3.33Å; Y83-Q85 PolarHBondContact O-N 3.09Å |
| 86 | N | 60.7 | Low | 71.4 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.5 | -23.8 | 176.8 | -73.5 | -55.1 | 0 | 0 | 0 | 113.9 | L82 Y83 S84 C89 L90 | L82-N86 PolarHBondContact O-N 3.03Å; L82-N86 PolarHBondContact O-ND2 3.15Å; Y83-N86 PolarHBondContact O-N 3.46Å; Y83-N86 VanDerWaalsContact O-N 3.13Å; S84-N86 VanDerWaalsContact C-N 3.28Å; S84-N86 PolarHBondContact O-N 3Å; N86-C89 VanDerWaalsContact CA-SG 3.51Å; N86-C89 PolarHBondContact O-N 3.25Å; N86-C89 PolarHBondContact O-SG 2.93Å; N86-L90 WeakPolarHBondContact O-CG 3.31Å; N86-L90 PolarHBondContact O-N 3.19Å; N86-L90 VanDerWaalsContact O-N 3.15Å |
| 87 | Q | 62.2 | Low | 73.2 | Confident | 123 Ų | 123 | 104.5 Ų | 104.5 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | 175.7 | -76.7 | 177.2 | -5.6 | 0 | 0 | 111.4 | Y83 S84 C89 L90 E91 | Y83-Q87 PolarHBondContact O-N 3.33Å; S84-Q87 PolarHBondContact O-N 3.43Å; Q87-C89 VanDerWaalsContact C-N 3.27Å; Q87-C89 PolarHBondContact O-N 3.24Å; Q87-L90 PolarHBondContact O-N 2.78Å; Q87-E91 WeakPolarHBondContact O-CG 3.28Å; Q87-E91 PolarHBondContact O-N 3.37Å; Q87-E91 VanDerWaalsContact O-N 3.11Å |
| 88 | N | 70 | Confident | 74.9 | Confident | 109 Ų | 109 | 100.1 Ų | 100.1 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -31.2 | 177.1 | -65.9 | -53.6 | 0 | 0 | 0 | 112.9 | S84 Y92 | S84-N88 PolarHBondContact O-ND2 2.84Å; N88-Y92 WeakPolarHBondContact O-CB 3.4Å; N88-Y92 PolarHBondContact O-N 2.72Å; N88-Y92 VanDerWaalsContact O-N 3.09Å |
| 89 | C | 74.1 | Confident | 76.6 | Confident | 51 Ų | 51 | 101.1 Ų | 101.1 | 35% | 0.345 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.2 | -35 | 179.5 | 81.1 | 0 | 0 | 0 | 0 | 112.1 | N86 Q87 Y92 L93 | N86-C89 VanDerWaalsContact CA-SG 3.51Å; N86-C89 PolarHBondContact O-N 3.25Å; N86-C89 PolarHBondContact O-SG 2.93Å; Q87-C89 VanDerWaalsContact C-N 3.27Å; Q87-C89 PolarHBondContact O-N 3.24Å; C89-Y92 PolarHBondContact O-N 3.42Å; C89-L93 WeakPolarHBondContact O-CB 3.39Å; C89-L93 VanDerWaalsContact O-CG 3.27Å; C89-L93 WeakPolarHBondContact O-CG 3.32Å; C89-L93 PolarHBondContact O-N 3.42Å |
| 90 | L | 86 | Confident | 78.1 | Confident | 113 Ų | 113 | 103.9 Ų | 103.9 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.1 | -42.6 | 175.1 | -69.2 | 175.2 | 0 | 0 | 0 | 111.8 | N86 Q87 Y92 L93 E94 | N86-L90 WeakPolarHBondContact O-CG 3.31Å; N86-L90 PolarHBondContact O-N 3.19Å; N86-L90 VanDerWaalsContact O-N 3.15Å; Q87-L90 PolarHBondContact O-N 2.78Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; L90-Y92 PolarHBondContact O-N 3.35Å; L90-L93 PolarHBondContact O-N 3.19Å; L90-E94 PolarHBondContact O-N 3.05Å |
| 91 | E | 84.6 | Confident | 79.7 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 174.2 | -71 | 178.4 | -171.6 | 0 | 0 | 111.8 | Q87 E94 A95 | Q87-E91 WeakPolarHBondContact O-CG 3.28Å; Q87-E91 PolarHBondContact O-N 3.37Å; Q87-E91 VanDerWaalsContact O-N 3.11Å; E91-E94 PolarHBondContact O-N 3.22Å; E91-A95 WeakPolarHBondContact O-CB 2.96Å; E91-A95 PolarHBondContact O-N 2.95Å |
| 92 | Y | 84.7 | Confident | 81.4 | Confident | 150 Ų | 150 | 105.1 Ų | 105.1 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -41.5 | 174.8 | 177.6 | -108.2 | 0 | 0 | 0 | 112.5 | N88 C89 L90 A95 L96 | N88-Y92 WeakPolarHBondContact O-CB 3.4Å; N88-Y92 PolarHBondContact O-N 2.72Å; N88-Y92 VanDerWaalsContact O-N 3.09Å; C89-Y92 PolarHBondContact O-N 3.42Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; L90-Y92 PolarHBondContact O-N 3.35Å; Y92-A95 PolarHBondContact O-N 3.45Å; Y92-L96 HydrophobicContact CD1-CD1 3.87Å; Y92-L96 HydrophobicContact CE1-CD1 3.29Å; Y92-L96 HydrophobicContact CE1-CG 4.17Å; Y92-L96 HydrophobicContact CE2-CD1 4.31Å; Y92-L96 HydrophobicContact CE2-CG 4.34Å; Y92-L96 WeakPolarHBondContact O-CB 3.26Å; Y92-L96 PolarHBondContact O-N 3.06Å |
| 93 | L | 92.8 | Very high | 83.1 | Confident | 94 Ų | 94 | 108.2 Ų | 108.2 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 175.2 | -75.4 | 171.8 | 0 | 0 | 0 | 111.8 | C89 L90 L96 V97 | C89-L93 WeakPolarHBondContact O-CB 3.39Å; C89-L93 VanDerWaalsContact O-CG 3.27Å; C89-L93 WeakPolarHBondContact O-CG 3.32Å; C89-L93 PolarHBondContact O-N 3.42Å; L90-L93 PolarHBondContact O-N 3.19Å; L93-L96 PolarHBondContact O-N 3.39Å; L93-V97 VanDerWaalsContact O-CG2 3.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.35Å; L93-V97 PolarHBondContact O-N 3.26Å |
| 94 | E | 93.6 | Very high | 84.8 | Confident | 144 Ų | 144 | 105.6 Ų | 105.6 | 67% | 0.673 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 174.3 | -176.7 | 175.3 | -167.8 | 0 | 0 | 111.3 | L90 E91 L96 V97 A98 | L90-E94 PolarHBondContact O-N 3.05Å; E91-E94 PolarHBondContact O-N 3.22Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 2.84Å; E94-V97 PolarHBondContact O-N 3.35Å; E94-A98 WeakPolarHBondContact O-CB 3.48Å; E94-A98 PolarHBondContact O-N 3.36Å |
| 95 | A | 92.5 | Very high | 86.4 | Confident | 57 Ų | 57 | 109.5 Ų | 109.5 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E91 Y92 A98 L99 | E91-A95 WeakPolarHBondContact O-CB 2.96Å; E91-A95 PolarHBondContact O-N 2.95Å; Y92-A95 PolarHBondContact O-N 3.45Å; A95-A98 PolarHBondContact O-N 2.84Å; A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 3.48Å |
| 96 | L | 95.8 | Very high | 88 | Confident | 73 Ų | 73 | 106.4 Ų | 106.4 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 174.5 | -85.7 | 173 | 0 | 0 | 0 | 112.6 | Y92 L93 E94 L99 R100 | Y92-L96 HydrophobicContact CD1-CD1 3.87Å; Y92-L96 HydrophobicContact CE1-CD1 3.29Å; Y92-L96 HydrophobicContact CE1-CG 4.17Å; Y92-L96 HydrophobicContact CE2-CD1 4.31Å; Y92-L96 HydrophobicContact CE2-CG 4.34Å; Y92-L96 WeakPolarHBondContact O-CB 3.26Å; Y92-L96 PolarHBondContact O-N 3.06Å; L93-L96 PolarHBondContact O-N 3.39Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 2.84Å; L96-L99 PolarHBondContact O-N 2.88Å; L96-R100 WeakPolarHBondContact O-CB 3.27Å; L96-R100 PolarHBondContact O-N 3.03Å |
| 97 | V | 96.6 | Very high | 89.5 | Confident | 71 Ų | 71 | 105.4 Ų | 105.4 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 176.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | L93 E94 R100 R101 | L93-V97 VanDerWaalsContact O-CG2 3.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.35Å; L93-V97 PolarHBondContact O-N 3.26Å; E94-V97 PolarHBondContact O-N 3.35Å; V97-R100 PolarHBondContact O-N 2.91Å; V97-R101 VanDerWaalsContact O-CG 3.3Å; V97-R101 WeakPolarHBondContact O-CG 3.46Å; V97-R101 PolarHBondContact O-N 3.11Å |
| 98 | A | 95.9 | Very high | 90.7 | Very high | 44 Ų | 44 | 102.6 Ų | 102.6 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E94 A95 R101 Q102 | E94-A98 WeakPolarHBondContact O-CB 3.48Å; E94-A98 PolarHBondContact O-N 3.36Å; A95-A98 PolarHBondContact O-N 2.84Å; A98-R101 WeakPolarHBondContact O-CB 3.47Å; A98-R101 PolarHBondContact O-N 3.17Å; A98-Q102 WeakPolarHBondContact O-CG 3.41Å; A98-Q102 PolarHBondContact O-N 3.23Å |
| 99 | L | 96.3 | Very high | 91.5 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 177.3 | -165.7 | 118.5 | 0 | 0 | 0 | 111.8 | A95 L96 R101 Q102 Y103 | A95-L99 WeakPolarHBondContact O-CB 3.45Å; A95-L99 PolarHBondContact O-N 3.48Å; L96-L99 PolarHBondContact O-N 2.88Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.27Å; L99-Q102 PolarHBondContact O-N 3.49Å; L99-Y103 PolarHBondContact O-N 2.91Å |
| 100 | R | 94.8 | Very high | 92.1 | Very high | 190 Ų | 190 | 104.6 Ų | 104.6 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | 173.4 | -176.3 | 179.3 | 180 | -176.2 | 0.9 | 111.3 | L96 V97 Y103 T104 | L96-R100 WeakPolarHBondContact O-CB 3.27Å; L96-R100 PolarHBondContact O-N 3.03Å; V97-R100 PolarHBondContact O-N 2.91Å; R100-Y103 PolarHBondContact O-N 2.93Å; R100-T104 WeakPolarHBondContact O-CG2 3.49Å; R100-T104 PolarHBondContact O-N 2.93Å; R100-T104 PolarHBondContact O-OG1 3.4Å; R100-T104 VanDerWaalsContact O-OG1 3.11Å |
| 101 | R | 95.4 | Very high | 92 | Very high | 160 Ų | 160 | 106.3 Ų | 106.3 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 177.7 | -72.3 | 173.1 | -178.4 | -168.3 | 2.1 | 111.7 | V97 A98 L99 T104 K105 | V97-R101 VanDerWaalsContact O-CG 3.3Å; V97-R101 WeakPolarHBondContact O-CG 3.46Å; V97-R101 PolarHBondContact O-N 3.11Å; A98-R101 WeakPolarHBondContact O-CB 3.47Å; A98-R101 PolarHBondContact O-N 3.17Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.27Å; R101-T104 WeakPolarHBondContact CA-OG1 3.32Å; R101-T104 PolarHBondContact O-N 2.84Å; R101-T104 PolarHBondContact O-OG1 2.9Å; R101-K105 WeakPolarHBondContact O-CB 3.39Å; R101-K105 VanDerWaalsContact O-CG 3.27Å; R101-K105 WeakPolarHBondContact O-CG 3.41Å; R101-K105 PolarHBondContact O-N 3.1Å |
| 102 | Q | 95.4 | Very high | 91.7 | Very high | 131 Ų | 131 | 102.7 Ų | 102.7 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 175.9 | -75 | 178.2 | -5.8 | 0 | 0 | 111.6 | A98 L99 K105 S106 | A98-Q102 WeakPolarHBondContact O-CG 3.41Å; A98-Q102 PolarHBondContact O-N 3.23Å; L99-Q102 PolarHBondContact O-N 3.49Å; Q102-K105 PolarHBondContact O-N 2.83Å; Q102-S106 PolarHBondContact O-N 3.16Å; Q102-S106 PolarHBondContact O-OG 2.94Å |
| 103 | Y | 95.6 | Very high | 91.3 | Very high | 161 Ų | 161 | 100 Ų | 100 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 176.7 | -176.7 | -99.8 | 0 | 0 | 0 | 111.4 | L99 R100 K105 S106 V107 | L99-Y103 PolarHBondContact O-N 2.91Å; R100-Y103 PolarHBondContact O-N 2.93Å; Y103-K105 VanDerWaalsContact C-N 3.3Å; Y103-K105 PolarHBondContact O-N 3.3Å; Y103-S106 PolarHBondContact O-N 3.43Å; Y103-S106 PolarHBondContact O-OG 3.44Å; Y103-V107 HydrophobicContact CD1-CG2 4.07Å; Y103-V107 HydrophobicContact CD2-CG2 4.48Å; Y103-V107 HydrophobicContact CE1-CG2 3.64Å; Y103-V107 HydrophobicContact CE2-CG2 4.09Å; Y103-V107 HydrophobicContact CG-CG2 4.48Å; Y103-V107 WeakPolarHBondContact O-CG2 3.3Å; Y103-V107 PolarHBondContact O-N 3.22Å |
| 104 | T | 94.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.454 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 113 | R100 R101 S108 | R100-T104 WeakPolarHBondContact O-CG2 3.49Å; R100-T104 PolarHBondContact O-N 2.93Å; R100-T104 PolarHBondContact O-OG1 3.4Å; R100-T104 VanDerWaalsContact O-OG1 3.11Å; R101-T104 WeakPolarHBondContact CA-OG1 3.32Å; R101-T104 PolarHBondContact O-N 2.84Å; R101-T104 PolarHBondContact O-OG1 2.9Å; T104-S108 PolarHBondContact O-N 3.19Å; T104-S108 PolarHBondContact O-OG 2.98Å |
| 105 | K | 93.6 | Very high | 89.3 | Confident | 135 Ų | 135 | 97 Ų | 97 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -47.5 | 175.2 | -74.4 | 174.5 | -178.8 | -174.4 | 0 | 111.1 | R101 Q102 Y103 V107 S108 D109 | R101-K105 WeakPolarHBondContact O-CB 3.39Å; R101-K105 VanDerWaalsContact O-CG 3.27Å; R101-K105 WeakPolarHBondContact O-CG 3.41Å; R101-K105 PolarHBondContact O-N 3.1Å; Q102-K105 PolarHBondContact O-N 2.83Å; Y103-K105 VanDerWaalsContact C-N 3.3Å; Y103-K105 PolarHBondContact O-N 3.3Å; K105-V107 VanDerWaalsContact C-N 3.35Å; K105-V107 PolarHBondContact O-N 3.11Å; K105-S108 WeakPolarHBondContact CA-OG 3.5Å; K105-S108 PolarHBondContact O-N 2.93Å; K105-S108 PolarHBondContact O-OG 3.38Å; K105-D109 WeakPolarHBondContact O-CB 3.47Å; K105-D109 PolarHBondContact O-N 2.78Å |
| 106 | S | 92.6 | Very high | 88 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 34% | 0.336 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 177 | 70.4 | 0 | 0 | 0 | 0 | 112 | Q102 Y103 S108 D109 L110 | Q102-S106 PolarHBondContact O-N 3.16Å; Q102-S106 PolarHBondContact O-OG 2.94Å; Y103-S106 PolarHBondContact O-N 3.43Å; Y103-S106 PolarHBondContact O-OG 3.44Å; S106-S108 PolarHBondContact O-N 3.32Å; S106-D109 PolarHBondContact O-N 3.15Å; S106-L110 WeakPolarHBondContact O-CD1 3.33Å; S106-L110 PolarHBondContact O-N 3.43Å |
| 107 | V | 91.8 | Very high | 86.3 | Confident | 52 Ų | 52 | 101.2 Ų | 101.2 | 32% | 0.315 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | Y103 K105 D109 K111 | Y103-V107 HydrophobicContact CD1-CG2 4.07Å; Y103-V107 HydrophobicContact CD2-CG2 4.48Å; Y103-V107 HydrophobicContact CE1-CG2 3.64Å; Y103-V107 HydrophobicContact CE2-CG2 4.09Å; Y103-V107 HydrophobicContact CG-CG2 4.48Å; Y103-V107 WeakPolarHBondContact O-CG2 3.3Å; Y103-V107 PolarHBondContact O-N 3.22Å; K105-V107 VanDerWaalsContact C-N 3.35Å; K105-V107 PolarHBondContact O-N 3.11Å; V107-D109 VanDerWaalsContact C-N 3.35Å; V107-K111 WeakPolarHBondContact O-CG 3.4Å; V107-K111 PolarHBondContact O-N 2.73Å |
| 108 | S | 88.5 | Confident | 84.5 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 174 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | T104 K105 S106 K111 S112 | T104-S108 PolarHBondContact O-N 3.19Å; T104-S108 PolarHBondContact O-OG 2.98Å; K105-S108 WeakPolarHBondContact CA-OG 3.5Å; K105-S108 PolarHBondContact O-N 2.93Å; K105-S108 PolarHBondContact O-OG 3.38Å; S106-S108 PolarHBondContact O-N 3.32Å; S108-K111 PolarHBondContact O-N 3.3Å; S108-S112 WeakPolarHBondContact O-CB 3.41Å; S108-S112 PolarHBondContact O-N 2.94Å |
| 109 | D | 86.9 | Confident | 82.6 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.1 | -66.8 | -22 | 0 | 0 | 0 | 110.5 | K105 S106 V107 S112 N113 | K105-D109 WeakPolarHBondContact O-CB 3.47Å; K105-D109 PolarHBondContact O-N 2.78Å; S106-D109 PolarHBondContact O-N 3.15Å; V107-D109 VanDerWaalsContact C-N 3.35Å; D109-S112 PolarHBondContact O-N 3.3Å; D109-S112 PolarHBondContact O-OG 2.93Å; D109-N113 WeakPolarHBondContact O-CB 3.47Å; D109-N113 VanDerWaalsContact O-CG 3.32Å; D109-N113 PolarHBondContact O-N 2.72Å; D109-N113 PolarHBondContact O-ND2 3.38Å |
| 110 | L | 86.4 | Confident | 80 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.7 | -49.5 | 173 | -89.1 | 84.4 | 0 | 0 | 0 | 111.5 | S106 S112 N113 D114 | S106-L110 WeakPolarHBondContact O-CD1 3.33Å; S106-L110 PolarHBondContact O-N 3.43Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 2.91Å; L110-N113 PolarHBondContact O-N 3.4Å; L110-D114 PolarHBondContact O-N 2.9Å |
| 111 | K | 84.4 | Confident | 77.8 | Confident | 149 Ų | 149 | 99.7 Ų | 99.7 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -36.6 | 177.6 | -73.4 | -165.1 | 177.2 | -168.2 | 0 | 113 | V107 S108 A115 | V107-K111 WeakPolarHBondContact O-CG 3.4Å; V107-K111 PolarHBondContact O-N 2.73Å; S108-K111 PolarHBondContact O-N 3.3Å; K111-A115 PolarHBondContact O-N 3.15Å; K111-A115 VanDerWaalsContact O-N 3.09Å |
| 112 | S | 78.6 | Confident | 75.9 | Confident | 46 Ų | 46 | 101.4 Ų | 101.4 | 32% | 0.322 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.3 | -33.4 | 177.6 | 80 | 0 | 0 | 0 | 0 | 112.5 | S108 D109 L110 K116 | S108-S112 WeakPolarHBondContact O-CB 3.41Å; S108-S112 PolarHBondContact O-N 2.94Å; D109-S112 PolarHBondContact O-N 3.3Å; D109-S112 PolarHBondContact O-OG 2.93Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 2.91Å; S112-K116 WeakPolarHBondContact O-CB 3.27Å; S112-K116 VanDerWaalsContact O-CG 3.32Å; S112-K116 WeakPolarHBondContact O-CG 3.41Å; S112-K116 PolarHBondContact O-N 2.96Å |
| 113 | N | 75.3 | Confident | 73.7 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73 | -37.9 | 175.5 | -73.8 | -40.6 | 0 | 0 | 0 | 111.5 | D109 L110 A115 K116 A117 | D109-N113 WeakPolarHBondContact O-CB 3.47Å; D109-N113 VanDerWaalsContact O-CG 3.32Å; D109-N113 PolarHBondContact O-N 2.72Å; D109-N113 PolarHBondContact O-ND2 3.38Å; L110-N113 PolarHBondContact O-N 3.4Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-K116 PolarHBondContact O-N 2.95Å; N113-A117 VanDerWaalsContact O-CB 3.31Å; N113-A117 WeakPolarHBondContact O-CB 3.43Å; N113-A117 PolarHBondContact O-N 3.45Å |
| 114 | D | 72.9 | Confident | 71.8 | Confident | 114 Ų | 114 | 109 Ų | 109 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.8 | -42.6 | 171.4 | -74.6 | -23.5 | 0 | 0 | 0 | 111.4 | L110 K116 A117 A118 | L110-D114 PolarHBondContact O-N 2.9Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 2.93Å; D114-A117 PolarHBondContact O-N 3.03Å; D114-A118 WeakPolarHBondContact O-CB 3.38Å; D114-A118 PolarHBondContact O-N 2.93Å |
| 115 | A | 71.7 | Confident | 69.7 | Low | 63 Ų | 63 | 111.6 Ų | 111.6 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.3 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K111 N113 A119 | K111-A115 PolarHBondContact O-N 3.15Å; K111-A115 VanDerWaalsContact O-N 3.09Å; N113-A115 VanDerWaalsContact C-N 3.34Å; A115-A119 WeakPolarHBondContact O-CB 3.34Å; A115-A119 PolarHBondContact O-N 3.07Å; A115-A119 VanDerWaalsContact O-N 3.15Å |
| 116 | K | 65.4 | Low | 67.9 | Low | 146 Ų | 146 | 109.6 Ų | 109.6 | 64% | 0.635 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.4 | -33.4 | 174.9 | -75.2 | 175.3 | -179.3 | 175.6 | 0 | 112.9 | S112 N113 D114 A119 | S112-K116 WeakPolarHBondContact O-CB 3.27Å; S112-K116 VanDerWaalsContact O-CG 3.32Å; S112-K116 WeakPolarHBondContact O-CG 3.41Å; S112-K116 PolarHBondContact O-N 2.96Å; N113-K116 PolarHBondContact O-N 2.95Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 2.93Å; K116-A119 PolarHBondContact O-N 3.18Å |
| 117 | A | 59.1 | Low | 66.4 | Low | 72 Ų | 72 | 113 Ų | 113 | 60% | 0.595 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.9 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N113 D114 A119 C120 | N113-A117 VanDerWaalsContact O-CB 3.31Å; N113-A117 WeakPolarHBondContact O-CB 3.43Å; N113-A117 PolarHBondContact O-N 3.45Å; D114-A117 PolarHBondContact O-N 3.03Å; A117-A119 VanDerWaalsContact C-N 3.25Å; A117-A119 PolarHBondContact O-N 3.38Å; A117-C120 PolarHBondContact O-N 2.97Å |
| 118 | A | 59.1 | Low | 64.8 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 74% | 0.744 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.8 | -23.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D114 | D114-A118 WeakPolarHBondContact O-CB 3.38Å; D114-A118 PolarHBondContact O-N 2.93Å |
| 119 | A | 55.4 | Low | 63 | Low | 74 Ų | 74 | 118.7 Ų | 118.7 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 11.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A115 K116 A117 P121 | A115-A119 WeakPolarHBondContact O-CB 3.34Å; A115-A119 PolarHBondContact O-N 3.07Å; A115-A119 VanDerWaalsContact O-N 3.15Å; K116-A119 PolarHBondContact O-N 3.18Å; A117-A119 VanDerWaalsContact C-N 3.25Å; A117-A119 PolarHBondContact O-N 3.38Å; A119-P121 WeakPolarHBondContact O-CD 3.48Å |
| 120 | C | 43.3 | Very low | 61.1 | Low | 103 Ų | 103 | 120.6 Ų | 120.6 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | trans | -105 | 87.7 | 176.2 | -150.5 | 0 | 0 | 0 | 0 | 111.2 | A117 K122 | A117-C120 PolarHBondContact O-N 2.97Å; C120-K122 PolarHBondContact O-N 3.22Å | ||
| 121 | P | 49 | Very low | 59.1 | Low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | trans | -90.7 | 103 | 177.4 | 34.8 | -31.5 | 0 | 0 | 0 | 109.9 | A119 | A119-P121 WeakPolarHBondContact O-CD 3.48Š| ||
| 122 | K | 54.5 | Low | 56.8 | Low | 195 Ų | 195 | 126.8 Ų | 126.8 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | -137.8 | 97.3 | 151 | -75.6 | -165.5 | -178.8 | 179.8 | 0 | 110.1 | C120 | C120-K122 PolarHBondContact O-N 3.22Š| ||
| 123 | R | 48.8 | Very low | 54.7 | Low | 251 Ų | 251 | 133.5 Ų | 133.5 | 95% | 0.947 | 75% | 0.751 | S | S | * | * | S | Bend | -179.4 | 148.9 | 120.5 | -95.2 | 170.4 | -174.7 | -157.6 | 2.8 | 111 | |||
| 124 | K | 55.6 | Low | 53 | Low | 200 Ų | 200 | 138 Ų | 138 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 149.9 | -166.7 | -61 | 171.6 | 179 | -179.9 | 0 | 113.1 | ||
| 125 | P | 51.5 | Low | 51.7 | Low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72 | 137.7 | 177.2 | 29.2 | -31.8 | 0 | 0 | 0 | 111.4 | ||
| 126 | A | 54.4 | Low | 50.4 | Low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 127 | P | 60.8 | Low | 49.4 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.7 | -178.3 | 27.5 | -33 | 0 | 0 | 0 | 112.6 | ||
| 128 | P | 59 | Low | 48.3 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 148.1 | -175.7 | 30 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 129 | P | 51.9 | Low | 47.9 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75 | 147.1 | 174.1 | 29.8 | -33 | 0 | 0 | 0 | 112.4 | ||
| 130 | P | 46.3 | Very low | 47 | Very low | 128 Ų | 128 | 157.3 Ų | 157.3 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.1 | 179.8 | 28.4 | -32.9 | 0 | 0 | 0 | 112.6 | ||
| 131 | K | 43.9 | Very low | 47.3 | Very low | 206 Ų | 206 | 158.7 Ų | 158.7 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 132.3 | 174.9 | -63.6 | 177.5 | 178.6 | -178.6 | 0 | 110 | ||
| 132 | M | 35.3 | Very low | 46.9 | Very low | 185 Ų | 185 | 162.7 Ų | 162.7 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | trans | -119.5 | 110.4 | 164.2 | -90.2 | -176 | 160.3 | 0 | 0 | 109.3 | ||||
| 133 | E | 36 | Very low | 46.5 | Very low | 188 Ų | 188 | 158.2 Ų | 158.2 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | 24.7 | 120.6 | 140.1 | -58.4 | -176.5 | 166.7 | 0 | 0 | 120.1 | ||||
| 134 | E | 38.3 | Very low | 46.6 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -63 | 167.2 | 144.3 | -82.7 | -173.3 | 139.8 | 0 | 0 | 110.6 | ||||
| 135 | P | 45.9 | Very low | 46.4 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | cis | -144.2 | -155.2 | 24.5 | 40.5 | -16.3 | 0 | 0 | 0 | 112 | ||||
| 136 | P | 44.7 | Very low | 46.9 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | cis | -132.6 | 174.4 | -5.7 | 38.6 | -17.8 | 0 | 0 | 0 | 116.8 | ||||
| 137 | Q | 45.2 | Very low | 47.4 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -47.4 | 137.3 | 178.6 | -58.7 | 163.7 | 13.4 | 0 | 0 | 115.8 | ||||
| 138 | I | 35.6 | Very low | 47.4 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -132.6 | 110.5 | 158.2 | -59.1 | 177.1 | 0 | 0 | 0 | 108.6 | ||||
| 139 | L | 49.9 | Very low | 47.9 | Very low | 167 Ų | 167 | 147 Ų | 147 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -69.7 | 122.7 | 171 | -68.6 | 165.4 | 0 | 0 | 0 | 110.1 | ||||
| 140 | R | 37.8 | Very low | 49.1 | Very low | 230 Ų | 230 | 144.8 Ų | 144.8 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -145.9 | 129.9 | 160.6 | -108.3 | -175.1 | 177.7 | -172.2 | -0.6 | 109.6 | ||||
| 141 | P | 49.4 | Very low | 50.8 | Low | 131 Ų | 131 | 145.6 Ų | 145.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -79.9 | 133.1 | -179.4 | 32.7 | -30.8 | 0 | 0 | 0 | 109.7 | ||||
| 142 | K | 40.9 | Very low | 52.6 | Low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -144.3 | 163.9 | 170.1 | -131.7 | 179.6 | -177.2 | 174 | 0 | 109.4 | ||||
| 143 | P | 45 | Very low | 55 | Low | 102 Ų | 102 | 137 Ų | 137 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | -79.9 | 153.9 | -116.5 | 32.1 | -15.5 | 0 | 0 | 0 | 114.1 | T145 | P143-T145 PolarHBondContact O-N 2.83Å; P143-T145 VanDerWaalsContact O-N 3.11Å; P143-T145 PolarHBondContact O-OG1 3.45Å | |||
| 144 | S | 51.7 | Low | 57.4 | Low | 130 Ų | 130 | 130.6 Ų | 130.6 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | trans | -55.2 | 114.7 | 172.4 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 145 | T | 51.5 | Low | 59.9 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | -109.4 | 135.2 | 170.1 | -46 | 0 | 0 | 0 | 0 | 105.4 | P143 | P143-T145 PolarHBondContact O-N 2.83Å; P143-T145 VanDerWaalsContact O-N 3.11Å; P143-T145 PolarHBondContact O-OG1 3.45Å | ||
| 146 | P | 61.8 | Low | 62 | Low | 106 Ų | 106 | 127.5 Ų | 127.5 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 140.3 | 179.4 | 23.4 | -32.3 | 0 | 0 | 0 | 109.6 | V148 | P146-V148 PolarHBondContact O-N 3.4Š|
| 147 | P | 64.8 | Low | 64.2 | Low | 124 Ų | 124 | 128 Ų | 128 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126.1 | -178.3 | 22.8 | -30.9 | 0 | 0 | 0 | 108.9 | P149 | P147-P149 WeakPolarHBondContact O-CD 3.25Š|
| 148 | V | 59.9 | Low | 66.4 | Low | 127 Ų | 127 | 125.1 Ų | 125.1 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.7 | 172.4 | 176.5 | 0 | 0 | 0 | 0 | 106 | P146 T150 | P146-V148 PolarHBondContact O-N 3.4Å; V148-T150 PolarHBondContact O-N 2.93Å |
| 149 | P | 69.1 | Low | 69.1 | Low | 81 Ų | 81 | 122.7 Ų | 122.7 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 134.3 | 179 | 21.8 | -30.2 | 0 | 0 | 0 | 108.9 | P147 D153 T154 | P147-P149 WeakPolarHBondContact O-CD 3.25Å; P149-D153 HydrophobicContact CB-CB 4.26Å; P149-T154 HydrophobicContact CB-CG2 4.26Å; P149-T154 HydrophobicContact CG-CG2 4.32Å |
| 150 | T | 78.6 | Confident | 71 | Confident | 74 Ų | 74 | 121.3 Ų | 121.3 | 45% | 0.454 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 152.8 | -179.8 | -18.1 | 0 | 0 | 0 | 0 | 108.7 | V148 E152 D153 T154 | V148-T150 PolarHBondContact O-N 2.93Å; T150-E152 PolarHBondContact O-N 2.89Å; T150-E152 VanDerWaalsContact O-N 3.11Å; T150-D153 PolarHBondContact N-OD2 2.65Å; T150-D153 WeakPolarHBondContact O-CB 2.93Å; T150-D153 PolarHBondContact O-N 2.89Å; T150-D153 PolarHBondContact OG1-OD2 3.34Å; T150-T154 PolarHBondContact O-N 3.49Å; T150-T154 VanDerWaalsContact O-N 3.15Å |
| 151 | E | 81.2 | Confident | 73.5 | Confident | 145 Ų | 145 | 113.3 Ų | 113.3 | 68% | 0.678 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.8 | -34.7 | 178.6 | 58.9 | -169 | 162 | 0 | 0 | 112 | T154 L155 | E151-T154 PolarHBondContact O-N 3.49Å; E151-T154 PolarHBondContact O-OG1 3.4Å; E151-L155 VanDerWaalsContact O-CG 3.3Å; E151-L155 WeakPolarHBondContact O-CG 3.29Å; E151-L155 PolarHBondContact O-N 2.96Å |
| 152 | E | 82.8 | Confident | 75.3 | Confident | 130 Ų | 130 | 111.7 Ų | 111.7 | 61% | 0.607 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.7 | -43.6 | 174.7 | -64.7 | 154.4 | -176.8 | 0 | 0 | 112.8 | T150 T154 L155 Q156 | T150-E152 PolarHBondContact O-N 2.89Å; T150-E152 VanDerWaalsContact O-N 3.11Å; E152-T154 VanDerWaalsContact C-N 3.31Å; E152-T154 PolarHBondContact O-N 2.89Å; E152-L155 PolarHBondContact O-N 3.01Å; E152-Q156 WeakPolarHBondContact O-CB 3.38Å; E152-Q156 PolarHBondContact O-N 3.41Å |
| 153 | D | 84 | Confident | 77.5 | Confident | 79 Ų | 79 | 105.2 Ų | 105.2 | 42% | 0.422 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -36.6 | 178 | -61.9 | -42.7 | 0 | 0 | 0 | 110.9 | P149 T150 F157 | P149-D153 HydrophobicContact CB-CB 4.26Å; T150-D153 PolarHBondContact N-OD2 2.65Å; T150-D153 WeakPolarHBondContact O-CB 2.93Å; T150-D153 PolarHBondContact O-N 2.89Å; T150-D153 PolarHBondContact OG1-OD2 3.34Å; D153-F157 WeakPolarHBondContact O-CB 3.32Å; D153-F157 PolarHBondContact O-N 3.02Å |
| 154 | T | 87.1 | Confident | 79.3 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 34% | 0.337 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.8 | -40.4 | 177.1 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | P149 T150 E151 E152 F157 F158 | P149-T154 HydrophobicContact CB-CG2 4.26Å; P149-T154 HydrophobicContact CG-CG2 4.32Å; T150-T154 PolarHBondContact O-N 3.49Å; T150-T154 VanDerWaalsContact O-N 3.15Å; E151-T154 PolarHBondContact O-N 3.49Å; E151-T154 PolarHBondContact O-OG1 3.4Å; E152-T154 VanDerWaalsContact C-N 3.31Å; E152-T154 PolarHBondContact O-N 2.89Å; T154-F157 PolarHBondContact O-N 3.16Å; T154-F158 WeakPolarHBondContact O-CD2 3.48Å; T154-F158 PolarHBondContact O-N 3.37Å; T154-F158 VanDerWaalsContact O-N 3.11Å |
| 155 | L | 90.2 | Very high | 80.4 | Confident | 106 Ų | 106 | 101.8 Ų | 101.8 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.9 | -43.6 | 176.6 | -70.4 | 171.9 | 0 | 0 | 0 | 111.1 | E151 E152 F157 F158 D159 | E151-L155 VanDerWaalsContact O-CG 3.3Å; E151-L155 WeakPolarHBondContact O-CG 3.29Å; E151-L155 PolarHBondContact O-N 2.96Å; E152-L155 PolarHBondContact O-N 3.01Å; L155-F157 VanDerWaalsContact C-N 3.31Å; L155-F157 PolarHBondContact O-N 3.42Å; L155-F158 PolarHBondContact O-N 3.38Å; L155-F158 VanDerWaalsContact O-N 3.1Å; L155-D159 PolarHBondContact O-N 3.26Å |
| 156 | Q | 91.3 | Very high | 81.1 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -38.9 | 177.2 | -171.8 | 171.1 | 5.3 | 0 | 0 | 112.2 | E152 D159 E160 | E152-Q156 WeakPolarHBondContact O-CB 3.38Å; E152-Q156 PolarHBondContact O-N 3.41Å; Q156-D159 PolarHBondContact O-N 2.94Å; Q156-E160 PolarHBondContact O-N 3.31Å |
| 157 | F | 90 | Very high | 81.2 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 55% | 0.548 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 173.1 | 175.1 | -97.5 | 0 | 0 | 0 | 112.3 | D153 T154 L155 E160 V161 | D153-F157 WeakPolarHBondContact O-CB 3.32Å; D153-F157 PolarHBondContact O-N 3.02Å; T154-F157 PolarHBondContact O-N 3.16Å; L155-F157 VanDerWaalsContact C-N 3.31Å; L155-F157 PolarHBondContact O-N 3.42Å; F157-E160 PolarHBondContact O-N 3.38Å; F157-V161 HydrophobicContact CD1-CG2 4.42Å; F157-V161 HydrophobicContact CE1-CG2 4Å; F157-V161 HydrophobicContact CE2-CG2 4.31Å; F157-V161 HydrophobicContact CZ-CG2 3.94Å; F157-V161 VanDerWaalsContact O-CG2 3.3Å; F157-V161 WeakPolarHBondContact O-CG2 3.28Å; F157-V161 PolarHBondContact O-N 2.97Å; F157-V161 VanDerWaalsContact O-N 3.07Å |
| 158 | F | 91.8 | Very high | 81.2 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 53% | 0.526 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -41 | 176.7 | -74.1 | -61.8 | 0 | 0 | 0 | 112.3 | T154 L155 E160 V161 I162 | T154-F158 WeakPolarHBondContact O-CD2 3.48Å; T154-F158 PolarHBondContact O-N 3.37Å; T154-F158 VanDerWaalsContact O-N 3.11Å; L155-F158 PolarHBondContact O-N 3.38Å; L155-F158 VanDerWaalsContact O-N 3.1Å; F158-E160 VanDerWaalsContact C-N 3.31Å; F158-E160 PolarHBondContact O-N 2.86Å; F158-V161 PolarHBondContact O-N 3.47Å; F158-I162 VanDerWaalsContact O-CG1 3.26Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.49Å |
| 159 | D | 91.8 | Very high | 81.3 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.5 | -39.6 | 176.8 | -72 | -19.7 | 0 | 0 | 0 | 111.6 | L155 Q156 I162 A163 | L155-D159 PolarHBondContact O-N 3.26Å; Q156-D159 PolarHBondContact O-N 2.94Å; D159-I162 PolarHBondContact O-N 3.35Å; D159-A163 WeakPolarHBondContact O-CB 3.36Å; D159-A163 PolarHBondContact O-N 2.89Å |
| 160 | E | 90.9 | Very high | 81 | Confident | 138 Ų | 138 | 107.1 Ų | 107.1 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.5 | -40.4 | 175.9 | -168.3 | 175.3 | -173.2 | 0 | 0 | 112.2 | Q156 F157 F158 A163 S164 | Q156-E160 PolarHBondContact O-N 3.31Å; F157-E160 PolarHBondContact O-N 3.38Å; F158-E160 VanDerWaalsContact C-N 3.31Å; F158-E160 PolarHBondContact O-N 2.86Å; E160-A163 PolarHBondContact O-N 3.01Å; E160-S164 PolarHBondContact O-N 3.24Å |
| 161 | V | 90.3 | Very high | 80.2 | Confident | 63 Ų | 63 | 113.6 Ų | 113.6 | 38% | 0.382 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -42.4 | 175.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | F157 F158 S164 C165 | F157-V161 HydrophobicContact CD1-CG2 4.42Å; F157-V161 HydrophobicContact CE1-CG2 4Å; F157-V161 HydrophobicContact CE2-CG2 4.31Å; F157-V161 HydrophobicContact CZ-CG2 3.94Å; F157-V161 VanDerWaalsContact O-CG2 3.3Å; F157-V161 WeakPolarHBondContact O-CG2 3.28Å; F157-V161 PolarHBondContact O-N 2.97Å; F157-V161 VanDerWaalsContact O-N 3.07Å; F158-V161 PolarHBondContact O-N 3.47Å; V161-S164 PolarHBondContact O-N 2.87Å; V161-S164 PolarHBondContact O-OG 2.88Å; V161-C165 PolarHBondContact O-N 3.3Å; V161-C165 PolarHBondContact O-SG 3.15Å |
| 162 | I | 87.3 | Confident | 79.6 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.7 | -48.2 | 177.3 | -67.7 | 164 | 0 | 0 | 0 | 110.1 | F158 D159 S164 C165 D166 | F158-I162 VanDerWaalsContact O-CG1 3.26Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.49Å; D159-I162 PolarHBondContact O-N 3.35Å; I162-S164 PolarHBondContact O-N 2.89Å; I162-C165 WeakPolarHBondContact O-CB 3.41Å; I162-C165 PolarHBondContact O-N 3.33Å; I162-D166 PolarHBondContact O-N 3.31Å |
| 163 | A | 87 | Confident | 78.7 | Confident | 65 Ų | 65 | 115.6 Ų | 115.6 | 54% | 0.537 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.1 | -33.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D159 E160 C165 | D159-A163 WeakPolarHBondContact O-CB 3.36Å; D159-A163 PolarHBondContact O-N 2.89Å; E160-A163 PolarHBondContact O-N 3.01Å; A163-C165 VanDerWaalsContact C-N 3.32Å; A163-C165 PolarHBondContact O-N 3.34Å |
| 164 | S | 81.5 | Confident | 77.6 | Confident | 74 Ų | 74 | 121.2 Ų | 121.2 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.6 | -30.1 | 175.7 | 79.2 | 0 | 0 | 0 | 0 | 113.4 | E160 V161 I162 S167 | E160-S164 PolarHBondContact O-N 3.24Å; V161-S164 PolarHBondContact O-N 2.87Å; V161-S164 PolarHBondContact O-OG 2.88Å; I162-S164 PolarHBondContact O-N 2.89Å; S164-S167 PolarHBondContact O-OG 3.28Å |
| 165 | C | 75.4 | Confident | 76 | Confident | 86 Ų | 86 | 127.3 Ų | 127.3 | 58% | 0.581 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.3 | -26.1 | -177.8 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | V161 I162 A163 S167 | V161-C165 PolarHBondContact O-N 3.3Å; V161-C165 PolarHBondContact O-SG 3.15Å; I162-C165 WeakPolarHBondContact O-CB 3.41Å; I162-C165 PolarHBondContact O-N 3.33Å; A163-C165 VanDerWaalsContact C-N 3.32Å; A163-C165 PolarHBondContact O-N 3.34Å; C165-S167 PolarHBondContact O-N 2.9Å |
| 166 | D | 67 | Low | 74.4 | Confident | 133 Ų | 133 | 127.3 Ų | 127.3 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -3.7 | -177.8 | -72.5 | -21.2 | 0 | 0 | 0 | 113.7 | I162 E168 | I162-D166 PolarHBondContact O-N 3.31Å; D166-E168 PolarHBondContact O-N 3.09Å |
| 167 | S | 63.6 | Low | 72.7 | Confident | 97 Ų | 97 | 128.2 Ų | 128.2 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 9.5 | 179 | 66.4 | 0 | 0 | 0 | 0 | 114.8 | S164 C165 P169 | S164-S167 PolarHBondContact O-OG 3.28Å; C165-S167 PolarHBondContact O-N 2.9Å; S167-P169 WeakPolarHBondContact O-CD 3.1Å |
| 168 | E | 64.6 | Low | 71.1 | Confident | 143 Ų | 143 | 125.4 Ų | 125.4 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | trans | -66.4 | 121 | 178.5 | -161.3 | 177.6 | -180 | 0 | 0 | 110.7 | D166 L170 | D166-E168 PolarHBondContact O-N 3.09Å; E168-L170 PolarHBondContact O-N 3.23Å | ||
| 169 | P | 62.4 | Low | 69.2 | Low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | trans | -63.8 | 124 | -175.2 | 22.1 | -31 | 0 | 0 | 0 | 111 | S167 R171 | S167-P169 WeakPolarHBondContact O-CD 3.1Å; P169-R171 PolarHBondContact O-N 3.07Å | ||
| 170 | L | 63.3 | Low | 67.4 | Low | 174 Ų | 174 | 126.5 Ų | 126.5 | 91% | 0.911 | 68% | 0.682 | S | S | * | * | trans | -42.8 | 113.9 | 173.7 | -79.6 | 137.8 | 0 | 0 | 0 | 110.5 | E168 K172 | E168-L170 PolarHBondContact O-N 3.23Å; L170-K172 PolarHBondContact O-N 2.91Å | ||
| 171 | R | 61.1 | Low | 65.6 | Low | 210 Ų | 210 | 126.2 Ų | 126.2 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.4 | 176.8 | -68.3 | -162.2 | 179.5 | 173.8 | 3.7 | 109.5 | P169 | P169-R171 PolarHBondContact O-N 3.07Š|
| 172 | K | 68.1 | Low | 63.8 | Low | 197 Ų | 197 | 125.6 Ų | 125.6 | 86% | 0.857 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.7 | 177.7 | -71.8 | 178 | 178.6 | 178.5 | 0 | 110.3 | L170 Y174 | L170-K172 PolarHBondContact O-N 2.91Å; K172-Y174 PolarHBondContact O-N 2.83Å |
| 173 | P | 64.8 | Low | 61.9 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 78% | 0.779 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.9 | 177.8 | 23.8 | -31.5 | 0 | 0 | 0 | 110.7 | K175 | P173-K175 PolarHBondContact O-N 2.73Š|
| 174 | Y | 59.7 | Low | 60.1 | Low | 196 Ų | 196 | 127.4 Ų | 127.4 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 124.7 | 176 | 177.6 | -95.2 | 0 | 0 | 0 | 109.7 | K172 D176 | K172-Y174 PolarHBondContact O-N 2.83Å; Y174-D176 HydrophobicContact CE1-CB 4.05Å |
| 175 | K | 53.9 | Low | 58.3 | Low | 184 Ų | 184 | 128.2 Ų | 128.2 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 127.2 | 168.9 | -73.7 | -168.3 | 173.3 | -171.5 | 0 | 108.5 | P173 | P173-K175 PolarHBondContact O-N 2.73Š|
| 176 | D | 57.6 | Low | 57.2 | Low | 105 Ų | 105 | 129.6 Ų | 129.6 | 56% | 0.561 | 68% | 0.68 | S | S | * | * | trans | -87 | 108 | 174.7 | -163.3 | 31.6 | 0 | 0 | 0 | 107.6 | Y174 G178 | Y174-D176 HydrophobicContact CE1-CB 4.05Å; D176-G178 PolarHBondContact O-N 2.82Å | ||
| 177 | D | 54.9 | Low | 56.2 | Low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | trans | -75.5 | 116.3 | 172.3 | -84.3 | -17.3 | 0 | 0 | 0 | 107.5 | ||||
| 178 | G | 57.3 | Low | 55.3 | Low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | trans | -46.5 | 145.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D176 A180 | D176-G178 PolarHBondContact O-N 2.82Å; G178-A180 PolarHBondContact O-N 3.49Å | ||
| 179 | H | 50.9 | Low | 54.3 | Low | 167 Ų | 167 | 124.8 Ų | 124.8 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | trans | -46.4 | 108.7 | -179 | -54.9 | -52.2 | 0 | 0 | 0 | 112.3 | D181 | H179-D181 PolarHBondContact O-N 3.33Š| ||
| 180 | A | 54.5 | Low | 53.9 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -73.2 | 118.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G178 V182 | G178-A180 PolarHBondContact O-N 3.49Å; A180-V182 PolarHBondContact O-N 2.74Å | ||
| 181 | D | 52.3 | Low | 53 | Low | 132 Ų | 132 | 120.2 Ų | 120.2 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -68.1 | 115.2 | 178 | -66.9 | -36.3 | 0 | 0 | 0 | 110.4 | H179 | H179-D181 PolarHBondContact O-N 3.33Š| ||
| 182 | V | 52.5 | Low | 52.6 | Low | 51 Ų | 51 | 118.9 Ų | 118.9 | 31% | 0.309 | 67% | 0.669 | S | S | . | * | trans | -111.5 | 122.9 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | A180 F184 | A180-V182 PolarHBondContact O-N 2.74Å; V182-F184 HydrophobicContact CB-CE2 4.38Å; V182-F184 HydrophobicContact CB-CZ 4.46Å; V182-F184 HydrophobicContact CG1-CE2 4.34Å; V182-F184 HydrophobicContact CG1-CZ 4.15Å; V182-F184 WeakPolarHBondContact O-CE2 3.34Å | ||
| 183 | D | 48.6 | Very low | 51.7 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 38% | 0.38 | 67% | 0.668 | S | S | . | * | trans | -89.6 | 140.3 | 173.9 | -29.4 | -99.9 | 0 | 0 | 0 | 112.2 | R205 | D183-R205 IonicContact OD1-CZ 3.17Å; D183-R205 IonicContact OD1-NH1 2.83Å; D183-R205 PolarHBondContact OD1-NH1 3.15Å; D183-R205 IonicContact OD1-NH2 2.82Å; D183-R205 PolarHBondContact OD1-NH2 2.86Å; D183-R205 IonicContact OD2-CZ 2.68Å; D183-R205 IonicContact OD2-NE 3.23Å; D183-R205 PolarHBondContact OD2-NE 2.78Å; D183-R205 IonicContact OD2-NH1 2.91Å; D183-R205 PolarHBondContact OD2-NH1 2.91Å; D183-R205 IonicContact OD2-NH2 2.73Å; D183-R205 PolarHBondContact OD2-NH2 3.42Å | ||
| 184 | F | 47.3 | Very low | 50.7 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 57% | 0.566 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111 | 135.5 | 175.1 | -57.5 | -93.2 | 0 | 0 | 0 | 109.9 | V182 L201 | V182-F184 HydrophobicContact CB-CE2 4.38Å; V182-F184 HydrophobicContact CB-CZ 4.46Å; V182-F184 HydrophobicContact CG1-CE2 4.34Å; V182-F184 HydrophobicContact CG1-CZ 4.15Å; V182-F184 WeakPolarHBondContact O-CE2 3.34Å; F184-L201 HydrophobicContact CD1-CD1 4.47Å; F184-L201 HydrophobicContact CE1-CD1 3.6Å; F184-L201 HydrophobicContact CE1-CG 4.48Å; F184-L201 HydrophobicContact CZ-CD1 4.3Å |
| 185 | I | 44.3 | Very low | 50.1 | Low | 91 Ų | 91 | 114.9 Ų | 114.9 | 47% | 0.467 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.6 | 168.4 | -58.9 | -171.8 | 0 | 0 | 0 | 108.2 | A187 R202 | I185-A187 PolarHBondContact O-N 3.38Å; I185-R202 VanDerWaalsContact CD1-NH2 3.31Å |
| 186 | V | 51.7 | Low | 49.7 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | trans | -88.7 | 105.3 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 187 | A | 46.8 | Very low | 49.1 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -96.3 | 102.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | I185 | I185-A187 PolarHBondContact O-N 3.38Š| ||
| 188 | S | 45.5 | Very low | 48.7 | Very low | 109 Ų | 109 | 109.7 Ų | 109.7 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | -86.9 | 120.1 | 173 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 189 | S | 44 | Very low | 48.1 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | trans | -80.5 | 128.7 | 165.6 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | A191 | S189-A191 VanDerWaalsContact C-N 3.31Å; S189-A191 PolarHBondContact O-N 3.13Å | ||
| 190 | S | 52.6 | Low | 48 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 87% | 0.874 | 64% | 0.637 | S | S | * | * | trans | -91.6 | 22.1 | -178.4 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 191 | A | 45 | Very low | 47.6 | Very low | 63 Ų | 63 | 115.3 Ų | 115.3 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -89.3 | 128.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S189 H193 D194 | S189-A191 VanDerWaalsContact C-N 3.31Å; S189-A191 PolarHBondContact O-N 3.13Å; A191-H193 PolarHBondContact O-N 3.47Å; A191-D194 PolarHBondContact O-N 3.47Å |
| 192 | E | 53.2 | Low | 47.4 | Very low | 182 Ų | 182 | 116.3 Ų | 116.3 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -7 | -163.2 | -73.7 | 179.5 | 149.2 | 0 | 0 | 117.1 | ||
| 193 | H | 49 | Very low | 47.2 | Very low | 180 Ų | 180 | 120 Ų | 120 | 83% | 0.833 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 28.7 | -174.5 | -63.5 | -49.2 | 0 | 0 | 0 | 116.2 | A191 | A191-H193 PolarHBondContact O-N 3.47Š|
| 194 | D | 43.7 | Very low | 47 | Very low | 79 Ų | 79 | 119.8 Ų | 119.8 | 42% | 0.422 | 65% | 0.654 | S | S | . | * | trans | -121.9 | 76.6 | 171.4 | -154.6 | 20.1 | 0 | 0 | 0 | 112.3 | A191 H196 | A191-D194 PolarHBondContact O-N 3.47Å; D194-H196 PolarHBondContact O-N 3.45Å; D194-H196 IonicContact OD1-CE1 3.66Å; D194-H196 IonicContact OD1-CG 3.48Å; D194-H196 IonicContact OD1-ND1 2.65Å; D194-H196 PolarHBondContact OD1-ND1 3.15Å | ||
| 195 | L | 47.3 | Very low | 47.1 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 89% | 0.89 | 66% | 0.657 | S | S | * | * | trans | -74 | 23.3 | 171.2 | -106.1 | 140.9 | 0 | 0 | 0 | 112.5 | S197 | L195-S197 PolarHBondContact O-N 3.46Š| ||
| 196 | H | 44.3 | Very low | 47.2 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 65% | 0.648 | 67% | 0.668 | S | S | * | * | trans | -86.6 | 94.5 | 167.8 | -60.1 | 113.2 | 0 | 0 | 0 | 107.9 | D194 N198 | D194-H196 PolarHBondContact O-N 3.45Å; D194-H196 IonicContact OD1-CE1 3.66Å; D194-H196 IonicContact OD1-CG 3.48Å; D194-H196 IonicContact OD1-ND1 2.65Å; D194-H196 PolarHBondContact OD1-ND1 3.15Å; H196-N198 PolarHBondContact O-N 3.43Å | ||
| 197 | S | 46.4 | Very low | 47 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | trans | -61.6 | 100.7 | 171.4 | -36.7 | 0 | 0 | 0 | 0 | 108.5 | L195 W199 | L195-S197 PolarHBondContact O-N 3.46Å; S197-W199 PolarHBondContact O-N 3Å | ||
| 198 | N | 45.3 | Very low | 46.7 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | trans | -75.3 | 80.5 | 174.9 | -71.2 | -47.5 | 0 | 0 | 0 | 108.3 | H196 V200 | H196-N198 PolarHBondContact O-N 3.43Å; N198-V200 PolarHBondContact O-N 3.34Å | ||
| 199 | W | 45.8 | Very low | 46.5 | Very low | 209 Ų | 209 | 127.2 Ų | 127.2 | 79% | 0.792 | 67% | 0.674 | S | S | * | * | trans | -80.7 | 107.2 | 171.8 | -59.3 | -16.3 | 0 | 0 | 0 | 108.4 | S197 | S197-W199 PolarHBondContact O-N 3Š| ||
| 200 | V | 48.5 | Very low | 46.5 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 109.5 | 170.7 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | N198 R202 | N198-V200 PolarHBondContact O-N 3.34Å; V200-R202 PolarHBondContact O-N 3.11Å |
| 201 | L | 45.8 | Very low | 45.9 | Very low | 122 Ų | 122 | 129 Ų | 129 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.6 | 120.2 | 170.1 | -150.9 | 101.3 | 0 | 0 | 0 | 107.8 | F184 | F184-L201 HydrophobicContact CD1-CD1 4.47Å; F184-L201 HydrophobicContact CE1-CD1 3.6Å; F184-L201 HydrophobicContact CE1-CG 4.48Å; F184-L201 HydrophobicContact CZ-CD1 4.3Å |
| 202 | R | 48.2 | Very low | 45.4 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 58% | 0.581 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 149.2 | 165.9 | -73.2 | -169.8 | 169.9 | -166.3 | -2.2 | 109 | I185 V200 | I185-R202 VanDerWaalsContact CD1-NH2 3.31Å; V200-R202 PolarHBondContact O-N 3.11Å |
| 203 | V | 47.3 | Very low | 44.6 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 136.8 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | R205 | V203-R205 PolarHBondContact O-N 3.41Š|
| 204 | P | 45.8 | Very low | 44 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 44% | 0.442 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 134.7 | 175.4 | -25.4 | 33.3 | 0 | 0 | 0 | 110.2 | V206 | P204-V206 VanDerWaalsContact C-N 3.33Å; P204-V206 PolarHBondContact O-N 3.46Å |
| 205 | R | 49.6 | Very low | 43.5 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 62% | 0.619 | 70% | 0.697 | S | S | * | * | trans | -65.7 | 101.5 | 168.1 | -66.3 | -166.4 | -168.9 | 113 | -3.2 | 106.7 | D183 V203 T207 | D183-R205 IonicContact OD1-CZ 3.17Å; D183-R205 IonicContact OD1-NH1 2.83Å; D183-R205 PolarHBondContact OD1-NH1 3.15Å; D183-R205 IonicContact OD1-NH2 2.82Å; D183-R205 PolarHBondContact OD1-NH2 2.86Å; D183-R205 IonicContact OD2-CZ 2.68Å; D183-R205 IonicContact OD2-NE 3.23Å; D183-R205 PolarHBondContact OD2-NE 2.78Å; D183-R205 IonicContact OD2-NH1 2.91Å; D183-R205 PolarHBondContact OD2-NH1 2.91Å; D183-R205 IonicContact OD2-NH2 2.73Å; D183-R205 PolarHBondContact OD2-NH2 3.42Å; V203-R205 PolarHBondContact O-N 3.41Å; R205-T207 PolarHBondContact O-N 3.41Å; R205-T207 VanDerWaalsContact O-N 3.16Å | ||
| 206 | V | 46.4 | Very low | 43 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | trans | -67.7 | 109.4 | 163.3 | -179.2 | 0 | 0 | 0 | 0 | 105.1 | P204 D208 | P204-V206 VanDerWaalsContact C-N 3.33Å; P204-V206 PolarHBondContact O-N 3.46Å; V206-D208 PolarHBondContact O-N 3.3Å | ||
| 207 | T | 46.2 | Very low | 42.6 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | trans | -69.8 | 93.6 | 159.8 | 43.4 | 0 | 0 | 0 | 0 | 105.8 | R205 D209 | R205-T207 PolarHBondContact O-N 3.41Å; R205-T207 VanDerWaalsContact O-N 3.16Å; T207-D209 PolarHBondContact O-N 3.44Å | ||
| 208 | D | 39.9 | Very low | 42 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | trans | -70.6 | 89.7 | 168.9 | -140 | -21.7 | 0 | 0 | 0 | 105.9 | V206 S210 | V206-D208 PolarHBondContact O-N 3.3Å; D208-S210 PolarHBondContact O-N 2.85Å; D208-S210 WeakPolarHBondContact OD1-CB 3.48Å; D208-S210 PolarHBondContact OD1-OG 2.83Å | ||
| 209 | D | 43.3 | Very low | 41.5 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | trans | -75.4 | 47.7 | 163.7 | -73.3 | -24.5 | 0 | 0 | 0 | 109 | T207 | T207-D209 PolarHBondContact O-N 3.44Š| ||
| 210 | S | 43.7 | Very low | 41.1 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 51% | 0.51 | 73% | 0.73 | S | S | . | * | trans | -96.2 | 110.8 | 165.1 | 50.1 | 0 | 0 | 0 | 0 | 108.3 | D208 | D208-S210 PolarHBondContact O-N 2.85Å; D208-S210 WeakPolarHBondContact OD1-CB 3.48Å; D208-S210 PolarHBondContact OD1-OG 2.83Å | ||
| 211 | E | 39.5 | Very low | 40.4 | Very low | 176 Ų | 176 | 134 Ų | 134 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -37.4 | 137.7 | 165.8 | -67.4 | -76.9 | 135.7 | 0 | 0 | 111.6 | S213 | E211-S213 PolarHBondContact O-N 3.36Š| ||
| 212 | P | 34.6 | Very low | 40.4 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -70.1 | 97 | -179.5 | 29.2 | -32.9 | 0 | 0 | 0 | 110.1 | E214 | P212-E214 PolarHBondContact O-N 3.32Š| ||
| 213 | S | 35.1 | Very low | 39.9 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -74.2 | 111.4 | 163.1 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | E211 A215 | E211-S213 PolarHBondContact O-N 3.36Å; S213-A215 PolarHBondContact O-N 2.85Å | ||
| 214 | E | 36.9 | Very low | 39.8 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -46.2 | 131.9 | 172.9 | -70.2 | 176 | 141.7 | 0 | 0 | 112.9 | P212 | P212-E214 PolarHBondContact O-N 3.32Š| ||
| 215 | A | 34.4 | Very low | 39.3 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -148.2 | 147.3 | 156 | 0 | 0 | 0 | 0 | 0 | 109 | S213 | S213-A215 PolarHBondContact O-N 2.85Š| ||
| 216 | P | 35.9 | Very low | 39 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -84.3 | 157 | -146.8 | 32.7 | -35.4 | 0 | 0 | 0 | 114.8 | S218 | P216-S218 PolarHBondContact O-N 3.33Š| ||
| 217 | D | 36.4 | Very low | 38.9 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -40.4 | 124.9 | 171.2 | -83.1 | -41.1 | 0 | 0 | 0 | 114.5 | ||||
| 218 | S | 32.8 | Very low | 38.8 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -147.8 | 134.3 | 141 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | P216 | P216-S218 PolarHBondContact O-N 3.33Š| ||
| 219 | A | 35 | Very low | 38.9 | Very low | 88 Ų | 88 | 125 Ų | 125 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -80 | 149.9 | -160.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 220 | K | 38.1 | Very low | 39.2 | Very low | 198 Ų | 198 | 128 Ų | 128 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | 45.2 | 118.6 | 141.6 | -65.2 | 175.3 | -179.3 | 177.2 | 0 | 117.9 | ||||
| 221 | E | 33.8 | Very low | 39.5 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | -170.2 | 141.9 | 110.4 | -109.1 | 175.8 | 172.7 | 0 | 0 | 113 | A223 | E221-A223 PolarHBondContact O-N 3.16Š| |||
| 222 | S | 45.2 | Very low | 40.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -59.5 | 119 | 172.8 | 48 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 223 | A | 38 | Very low | 41 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -142.7 | 112.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E221 G225 | E221-A223 PolarHBondContact O-N 3.16Å; A223-G225 PolarHBondContact O-N 3.42Å | ||
| 224 | S | 44.9 | Very low | 42.1 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -43.7 | 96.3 | 163.1 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | S226 | S224-S226 PolarHBondContact O-N 3Š| ||
| 225 | G | 35.5 | Very low | 43.2 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 73.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | A223 T227 | A223-G225 PolarHBondContact O-N 3.42Å; G225-T227 VanDerWaalsContact C-N 3.35Å; G225-T227 PolarHBondContact O-N 3.37Å | ||
| 226 | S | 43.7 | Very low | 44.3 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 93.1 | 165.9 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | S224 S228 | S224-S226 PolarHBondContact O-N 3Å; S226-S228 PolarHBondContact O-N 3.33Å | ||
| 227 | T | 44.5 | Very low | 45.5 | Very low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 55.7 | 166.1 | 61.6 | 0 | 0 | 0 | 0 | 109.7 | G225 S229 | G225-T227 VanDerWaalsContact C-N 3.35Å; G225-T227 PolarHBondContact O-N 3.37Å; T227-S229 PolarHBondContact O-N 3.14Å | ||
| 228 | S | 42.7 | Very low | 46.8 | Very low | 71 Ų | 71 | 140 Ų | 140 | 50% | 0.497 | 77% | 0.773 | S | S | . | * | trans | -75.6 | 70.6 | 166.2 | 159 | 0 | 0 | 0 | 0 | 108.6 | S226 R230 | S226-S228 PolarHBondContact O-N 3.33Å; S228-R230 PolarHBondContact O-N 3.37Å | ||
| 229 | S | 43.6 | Very low | 48.1 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -69.8 | 86.7 | 162.2 | 158.1 | 0 | 0 | 0 | 0 | 107.6 | T227 L231 | T227-S229 PolarHBondContact O-N 3.14Å; S229-L231 PolarHBondContact O-N 3.05Å | ||
| 230 | R | 48.9 | Very low | 49.2 | Very low | 220 Ų | 220 | 145.3 Ų | 145.3 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -69.5 | 64.8 | 173.6 | -77.4 | 176.1 | 169.9 | 178.1 | -3.3 | 110.5 | S228 R232 | S228-R230 PolarHBondContact O-N 3.37Å; R230-R232 VanDerWaalsContact C-N 3.28Å; R230-R232 PolarHBondContact O-N 2.99Å; R230-R232 VanDerWaalsContact O-N 3.15Å | ||
| 231 | L | 50.3 | Low | 49.9 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -81 | 87.2 | 158.1 | -74.1 | 170.3 | 0 | 0 | 0 | 106.7 | S229 L233 | S229-L231 PolarHBondContact O-N 3.05Å; L231-L233 PolarHBondContact O-N 3.28Å | ||
| 232 | R | 53.6 | Low | 51.1 | Low | 242 Ų | 242 | 141.8 Ų | 141.8 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | trans | -58.6 | 104.8 | 167.3 | -91.2 | -178.6 | 159.2 | 177.9 | -5.6 | 107.2 | R230 Q234 | R230-R232 VanDerWaalsContact C-N 3.28Å; R230-R232 PolarHBondContact O-N 2.99Å; R230-R232 VanDerWaalsContact O-N 3.15Å; R232-Q234 PolarHBondContact O-N 3.17Å | ||
| 233 | L | 52.6 | Low | 51.7 | Low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -62 | 99.8 | 168.6 | -84.1 | 161.7 | 0 | 0 | 0 | 108.2 | L231 R235 | L231-L233 PolarHBondContact O-N 3.28Å; L233-R235 PolarHBondContact O-N 3.2Å; L233-R235 VanDerWaalsContact O-N 3.11Å | ||
| 234 | Q | 57.8 | Low | 52.4 | Low | 166 Ų | 166 | 144.5 Ų | 144.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -72.6 | 100.3 | 171.5 | -168.6 | 174.9 | -3.6 | 0 | 0 | 107.7 | R232 N236 | R232-Q234 PolarHBondContact O-N 3.17Å; Q234-N236 PolarHBondContact O-N 3.18Å; Q234-N236 VanDerWaalsContact O-N 3.17Å | ||
| 235 | R | 59.4 | Low | 52.9 | Low | 234 Ų | 234 | 147.5 Ų | 147.5 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -78 | 98.7 | 177.9 | -62.4 | 177.4 | 88.7 | 152.9 | 2.8 | 108.3 | L233 | L233-R235 PolarHBondContact O-N 3.2Å; L233-R235 VanDerWaalsContact O-N 3.11Å | ||
| 236 | N | 56.8 | Low | 53.6 | Low | 116 Ų | 116 | 148.6 Ų | 148.6 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | trans | -76.6 | 130.7 | 167.9 | -66.9 | -32.9 | 0 | 0 | 0 | 108.8 | Q234 I238 | Q234-N236 PolarHBondContact O-N 3.18Å; Q234-N236 VanDerWaalsContact O-N 3.17Å; N236-I238 PolarHBondContact O-N 3.08Å | ||
| 237 | P | 62.7 | Low | 54 | Low | 105 Ų | 105 | 148.5 Ų | 148.5 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | trans | -64.6 | 124.4 | 176.5 | 25.2 | -31.4 | 0 | 0 | 0 | 109.8 | H239 | P237-H239 PolarHBondContact O-N 3.36Š| ||
| 238 | I | 63.2 | Low | 54.2 | Low | 149 Ų | 149 | 152.3 Ų | 152.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -81.5 | 108.8 | 174.6 | -57.7 | 173.2 | 0 | 0 | 0 | 107 | N236 L240 | N236-I238 PolarHBondContact O-N 3.08Å; I238-L240 HydrophobicContact CG2-CG 4.49Å; I238-L240 PolarHBondContact O-N 3.31Å | ||
| 239 | H | 59.6 | Low | 54.7 | Low | 175 Ų | 175 | 155.1 Ų | 155.1 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -73.6 | 95.4 | 169.3 | -71.9 | -59.7 | 0 | 0 | 0 | 109.3 | P237 | P237-H239 PolarHBondContact O-N 3.36Š| ||
| 240 | L | 58.3 | Low | 55.3 | Low | 144 Ų | 144 | 156.1 Ų | 156.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 133.9 | 166.1 | -72.1 | 162 | 0 | 0 | 0 | 108.7 | I238 K242 | I238-L240 HydrophobicContact CG2-CG 4.49Å; I238-L240 PolarHBondContact O-N 3.31Å; L240-K242 PolarHBondContact O-N 3.49Å | ||
| 241 | P | 52.1 | Low | 55.3 | Low | 105 Ų | 105 | 153.1 Ų | 153.1 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 133.7 | 172.8 | 23 | -30 | 0 | 0 | 0 | 109.2 | V243 | P241-V243 PolarHBondContact O-N 3.35Š| ||
| 242 | K | 59.3 | Low | 55.6 | Low | 212 Ų | 212 | 156.4 Ų | 156.4 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -63.2 | 36.8 | -174.4 | -73.7 | 179.8 | 171.5 | 173.1 | 0 | 115.4 | L240 | L240-K242 PolarHBondContact O-N 3.49Š|
| 243 | V | 57.8 | Low | 55.7 | Low | 127 Ų | 127 | 153.5 Ų | 153.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -129.3 | 33.3 | -175.1 | -158.2 | 0 | 0 | 0 | 0 | 111.7 | P241 | P241-V243 PolarHBondContact O-N 3.35Š| ||
| 244 | V | 52.1 | Low | 56.2 | Low | 141 Ų | 141 | 154.6 Ų | 154.6 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -131.4 | 40.3 | 166.3 | -162.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 245 | E | 55.9 | Low | 56.3 | Low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -121.4 | 136.7 | 155 | -71.6 | -176 | 167 | 0 | 0 | 106 | ||
| 246 | S | 50.5 | Low | 56.4 | Low | 90 Ų | 90 | 150.7 Ų | 150.7 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 94.3 | 61.6 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 117.7 | Q249 | S246-Q249 VanDerWaalsContact OG-CB 3.28Å; S246-Q249 WeakPolarHBondContact OG-CB 3.27Å | ||
| 247 | A | 51.5 | Low | 56.5 | Low | 94 Ų | 94 | 153.3 Ų | 153.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -100.5 | 6.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 248 | F | 49.4 | Very low | 56.2 | Low | 218 Ų | 218 | 158.1 Ų | 158.1 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -102 | 11.3 | 172.8 | -72.1 | -73.5 | 0 | 0 | 0 | 113.7 | ||
| 249 | Q | 54.3 | Low | 55.9 | Low | 129 Ų | 129 | 161 Ų | 161 | 60% | 0.603 | 81% | 0.805 | S | S | * | * | trans | -115.3 | 39.8 | 179.3 | -160.5 | 124.8 | -6.1 | 0 | 0 | 113.6 | S246 | S246-Q249 VanDerWaalsContact OG-CB 3.28Å; S246-Q249 WeakPolarHBondContact OG-CB 3.27Å | ||
| 250 | T | 54.5 | Low | 55.4 | Low | 118 Ų | 118 | 165.4 Ų | 165.4 | 72% | 0.724 | 83% | 0.826 | S | S | * | * | trans | -134.7 | 87.5 | 164 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 251 | L | 50.3 | Low | 55.2 | Low | 156 Ų | 156 | 166.5 Ų | 166.5 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | trans | 174.7 | 64.5 | 142.9 | -91.2 | 158.1 | 0 | 0 | 0 | 109 | F253 | L251-F253 VanDerWaalsContact C-N 3.29Å; L251-F253 HydrophobicContact CD2-CD2 4.31Å; L251-F253 PolarHBondContact O-N 3.48Å; L251-F253 VanDerWaalsContact O-N 3.1Å | ||
| 252 | R | 55.8 | Low | 55.4 | Low | 216 Ų | 216 | 169.7 Ų | 169.7 | 82% | 0.815 | 84% | 0.837 | S | S | * | * | trans | -76.4 | 89.6 | 158.6 | -74.4 | -172.7 | 176.8 | 179.9 | -0.9 | 107.4 | K254 | R252-K254 PolarHBondContact O-N 3.34Å; R252-K254 VanDerWaalsContact O-N 3.16Å | ||
| 253 | F | 55.6 | Low | 55.1 | Low | 181 Ų | 181 | 167.3 Ų | 167.3 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -63.5 | 112 | 168.5 | -132.2 | -94 | 0 | 0 | 0 | 107.8 | L251 P255 | L251-F253 VanDerWaalsContact C-N 3.29Å; L251-F253 HydrophobicContact CD2-CD2 4.31Å; L251-F253 PolarHBondContact O-N 3.48Å; L251-F253 VanDerWaalsContact O-N 3.1Å; F253-P255 VanDerWaalsContact O-CD 3.26Å; F253-P255 WeakPolarHBondContact O-CD 3.37Å | ||
| 254 | K | 63 | Low | 55 | Low | 185 Ų | 185 | 169.7 Ų | 169.7 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -88.1 | 109 | 169.2 | -74.9 | -169 | 176.8 | -176.8 | 0 | 108.1 | R252 K256 | R252-K254 PolarHBondContact O-N 3.34Å; R252-K254 VanDerWaalsContact O-N 3.16Å; K254-K256 PolarHBondContact O-N 3.3Å | ||
| 255 | P | 60.5 | Low | 55.2 | Low | 115 Ų | 115 | 171.5 Ų | 171.5 | 75% | 0.747 | 84% | 0.835 | S | S | * | * | trans | -67.2 | 122.6 | 170 | 26.1 | -30.9 | 0 | 0 | 0 | 109.2 | F253 L257 | F253-P255 VanDerWaalsContact O-CD 3.26Å; F253-P255 WeakPolarHBondContact O-CD 3.37Å; P255-L257 PolarHBondContact O-N 2.9Å | ||
| 256 | K | 61.3 | Low | 55.1 | Low | 204 Ų | 204 | 170.6 Ų | 170.6 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -80.2 | 110.6 | 170.2 | -69.1 | -171.8 | 178.5 | -178.4 | 0 | 108.4 | K254 K258 | K254-K256 PolarHBondContact O-N 3.3Å; K256-K258 PolarHBondContact O-N 2.87Å | ||
| 257 | L | 59.6 | Low | 55.5 | Low | 170 Ų | 170 | 176.4 Ų | 176.4 | 89% | 0.89 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 122.5 | 165.3 | -73.1 | 159.7 | 0 | 0 | 0 | 108.7 | P255 | P255-L257 PolarHBondContact O-N 2.9Š|
| 258 | K | 54.8 | Low | 55.8 | Low | 206 Ų | 206 | 182.7 Ų | 182.7 | 90% | 0.896 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 129.6 | 165.4 | -74.3 | -174.8 | 176.8 | -177.4 | 0 | 108 | K256 | K256-K258 PolarHBondContact O-N 2.87Š|
| 259 | K | 56.8 | Low | 56.3 | Low | 209 Ų | 209 | 179.8 Ų | 179.8 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.8 | 170.9 | -69.8 | -178 | 175.5 | -175.7 | 0 | 109.3 | ||
| 260 | Q | 48.9 | Very low | 56.5 | Low | 268 Ų | 268 | 184.4 Ų | 184.4 | 100% | 1.252 | 87% | 0.867 | S | S | * | * | trans | -78.2 | 0 | 156.3 | -88.3 | 178.3 | -25.9 | 0 | 0 | 109.3 |
Retrieved 260 of 260 residues in 30.1 ms
(Link to these results)