| 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 | 25 | Very low | 24.1 | Very low | 230 Ų | 230 | 150.2 Ų | 150.2 | 100% | 1.133 | 78% | 0.776 | S | S | * | * | 0 | 126.1 | 0 | -68.6 | 174.3 | -174.9 | 0 | 0 | 106.4 | |||||
| 2 | I | 23.2 | Very low | 23.8 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | 65.5 | 115.5 | 67 | -63.4 | -176 | 0 | 0 | 0 | 108.6 | |||||
| 3 | F | 22.6 | Very low | 23.6 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | cis | -164.6 | -175.5 | 3.3 | -135.7 | -101.6 | 0 | 0 | 0 | 110.1 | ||||
| 4 | H | 20.1 | Very low | 23.4 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 68% | 0.676 | 76% | 0.761 | S | S | * | * | trans | 63.6 | 120 | 157.8 | -75.4 | -56.5 | 0 | 0 | 0 | 118.2 | ||||
| 5 | I | 27.1 | Very low | 23.2 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | cis | 54.7 | 129 | 43.7 | -28.4 | 158.2 | 0 | 0 | 0 | 110.1 | ||||
| 6 | P | 36.2 | Very low | 23.1 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | -168 | 167.9 | 57.5 | 49.1 | -26.3 | 0 | 0 | 0 | 123.5 | |||||
| 7 | V | 22.6 | Very low | 23.2 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 59.4 | 168.8 | 154.5 | -127 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 8 | I | 22.8 | Very low | 23.1 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | trans | 94.1 | 122.5 | 157.5 | -53.2 | -154.7 | 0 | 0 | 0 | 114.1 | ||||
| 9 | K | 22.3 | Very low | 23.2 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | cis | -159 | 176.6 | 1.6 | -108.9 | 164.5 | -171 | 169.4 | 0 | 107.4 | ||||
| 10 | C | 22.3 | Very low | 23.5 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | cis | 179.6 | -162.5 | -36.1 | -92.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 11 | I | 20.8 | Very low | 23.6 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | 79 | 124.1 | 164.6 | -55.2 | 156.7 | 0 | 0 | 0 | 114.5 | ||||
| 12 | A | 20.2 | Very low | 23.7 | Very low | 74 Ų | 74 | 138 Ų | 138 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | cis | -153.9 | 141.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | I | 20.9 | Very low | 23.9 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | 26.3 | 136.6 | 89.1 | 32.2 | 174.4 | 0 | 0 | 0 | 115.8 | |||||
| 14 | V | 21.4 | Very low | 24.2 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | -133.2 | -169.6 | 11.4 | -123.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 15 | F | 20.5 | Very low | 24.5 | Very low | 185 Ų | 185 | 146 Ų | 146 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -154.1 | -170 | 11.6 | -127.8 | -49.1 | 0 | 0 | 0 | 110.1 | ||||
| 16 | S | 21 | Very low | 24.5 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -154.5 | 147.7 | 161.3 | -62 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 17 | P | 25.9 | Very low | 24.1 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | -139.9 | 167.6 | 109.2 | 34.8 | -20.5 | 0 | 0 | 0 | 111.9 | |||||
| 18 | S | 21.3 | Very low | 24.1 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | cis | -163.9 | 124.8 | -7.1 | 36.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 19 | H | 24.7 | Very low | 24.3 | Very low | 186 Ų | 186 | 151 Ų | 151 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | -173.8 | 125.4 | 129.4 | -116.7 | -106.6 | 0 | 0 | 0 | 110 | A21 | H19-A21 PolarHBondContact O-N 2.82Š| |||
| 20 | Q | 29.2 | Very low | 24.3 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 97% | 0.972 | 83% | 0.827 | S | S | * | * | trans | -85.4 | 100.1 | 179.7 | -72.3 | 167 | -95 | 0 | 0 | 110.6 | ||||
| 21 | A | 25.7 | Very low | 24.5 | Very low | 91 Ų | 91 | 151.6 Ų | 151.6 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -145 | -12.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | H19 | H19-A21 PolarHBondContact O-N 2.82Š|
| 22 | C | 26.5 | Very low | 24.7 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -135.5 | 77.7 | -178.2 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 23 | R | 26.8 | Very low | 24.9 | Very low | 250 Ų | 250 | 152.7 Ų | 152.7 | 94% | 0.943 | 83% | 0.834 | S | S | * | * | trans | -150.2 | 41.2 | 178.7 | -123.5 | -173.4 | -162.4 | -146.6 | 5.8 | 115.4 | ||||
| 24 | Q | 28.9 | Very low | 25.6 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -133.9 | 6.9 | 175.5 | -80.6 | -170.8 | -29.5 | 0 | 0 | 115.2 | ||
| 25 | L | 27.9 | Very low | 25.9 | Very low | 177 Ų | 177 | 157.1 Ų | 157.1 | 93% | 0.927 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -138.5 | 52.3 | -176 | -89.1 | 168.7 | 0 | 0 | 0 | 112.5 | ||
| 26 | Q | 26.8 | Very low | 26.3 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | trans | -151.1 | 16.8 | 175.5 | -137.9 | 171.5 | 5 | 0 | 0 | 116.8 | ||||
| 27 | E | 27.6 | Very low | 26.8 | Very low | 202 Ų | 202 | 160.2 Ų | 160.2 | 94% | 0.944 | 86% | 0.855 | S | S | * | * | trans | -125.2 | 76.3 | 173.8 | -71.7 | -174.1 | 178.6 | 0 | 0 | 111.1 | ||||
| 28 | A | 23.4 | Very low | 26.8 | Very low | 89 Ų | 89 | 161.3 Ų | 161.3 | 74% | 0.736 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -145.6 | 104.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 29 | T | 25.6 | Very low | 27 | Very low | 137 Ų | 137 | 162.2 Ų | 162.2 | 84% | 0.84 | 85% | 0.85 | S | S | * | * | trans | 44.3 | 90.9 | 159.6 | 54.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 30 | M | 23.7 | Very low | 27.1 | Very low | 195 Ų | 195 | 159 Ų | 159 | 96% | 0.961 | 84% | 0.838 | S | S | * | * | trans | -85.5 | 131.8 | 137.3 | -69.3 | -138.3 | 77.1 | 0 | 0 | 108.7 | ||||
| 31 | S | 25.1 | Very low | 26.7 | Very low | 102 Ų | 102 | 154.6 Ų | 154.6 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -143.2 | 109 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 32 | M | 26.2 | Very low | 26.7 | Very low | 170 Ų | 170 | 159 Ų | 159 | 84% | 0.837 | 83% | 0.825 | S | S | * | * | trans | 28.4 | 91.1 | 149.7 | -64.8 | -67.5 | -73.9 | 0 | 0 | 118.3 | ||||
| 33 | A | 24.4 | Very low | 26.5 | Very low | 97 Ų | 97 | 159.6 Ų | 159.6 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -140 | 104.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q35 | A33-Q35 PolarHBondContact O-N 3.46Š| ||
| 34 | Q | 34.1 | Very low | 26.3 | Very low | 184 Ų | 184 | 159.7 Ų | 159.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -90.2 | 82.9 | 173.7 | -73.1 | -176.4 | -69.6 | 0 | 0 | 110.7 | ||||
| 35 | Q | 28.1 | Very low | 26.1 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -164.7 | 133.8 | 155.4 | -112 | 160.8 | 28.9 | 0 | 0 | 111.8 | A33 | A33-Q35 PolarHBondContact O-N 3.46Š|
| 36 | Q | 28.4 | Very low | 26 | Very low | 191 Ų | 191 | 153.8 Ų | 153.8 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 61.7 | 145.9 | -178.9 | -58.2 | -172.7 | -4.2 | 0 | 0 | 116 | Q38 | Q36-Q38 PolarHBondContact O-N 3.01Š|
| 37 | N | 31.7 | Very low | 26.3 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -98.3 | 60.5 | -158.9 | -159.6 | 15.8 | 0 | 0 | 0 | 112.7 | ||||
| 38 | Q | 26.6 | Very low | 26.4 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | trans | -113.9 | 109.9 | 175.1 | -70.2 | -167.4 | 6 | 0 | 0 | 111.8 | Q36 I40 | Q36-Q38 PolarHBondContact O-N 3.01Å; Q38-I40 PolarHBondContact O-N 3.38Å | ||
| 39 | V | 25.2 | Very low | 26.8 | Very low | 118 Ų | 118 | 149 Ų | 149 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 97.7 | 166.2 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | L41 | V39-L41 HydrophobicContact CG1-CD2 4.34Å; V39-L41 HydrophobicContact CG1-CG 4.24Å; V39-L41 PolarHBondContact O-N 3.22Å | ||
| 40 | I | 26.5 | Very low | 27 | Very low | 120 Ų | 120 | 148 Ų | 148 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 106.9 | 177.1 | -58.4 | 175.8 | 0 | 0 | 0 | 108.8 | Q38 | Q38-I40 PolarHBondContact O-N 3.38Š| ||
| 41 | L | 21.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 60% | 0.602 | 75% | 0.747 | S | S | * | * | trans | -97.6 | 100.1 | 172.6 | -70 | 175.4 | 0 | 0 | 0 | 110.1 | V39 F43 | V39-L41 HydrophobicContact CG1-CD2 4.34Å; V39-L41 HydrophobicContact CG1-CG 4.24Å; V39-L41 PolarHBondContact O-N 3.22Å; L41-F43 HydrophobicContact CB-CD2 4.11Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 4.12Å; L41-F43 HydrophobicContact CD1-CE2 4.15Å; L41-F43 HydrophobicContact CD1-CZ 4.21Å; L41-F43 HydrophobicContact CG-CE2 4.46Å; L41-F43 WeakPolarHBondContact O-CD2 3.3Å; L41-F43 PolarHBondContact O-N 3.29Å | ||
| 42 | Q | 25.3 | Very low | 28 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -79.9 | 99 | -179.4 | -163 | 177.7 | 27.1 | 0 | 0 | 110.7 | ||||
| 43 | F | 23.3 | Very low | 28.5 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 62% | 0.618 | 73% | 0.727 | S | S | * | * | trans | -94.7 | 111.2 | 179.1 | -71 | -77.5 | 0 | 0 | 0 | 112.1 | L41 F45 | L41-F43 HydrophobicContact CB-CD2 4.11Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 4.12Å; L41-F43 HydrophobicContact CD1-CE2 4.15Å; L41-F43 HydrophobicContact CD1-CZ 4.21Å; L41-F43 HydrophobicContact CG-CE2 4.46Å; L41-F43 WeakPolarHBondContact O-CD2 3.3Å; L41-F43 PolarHBondContact O-N 3.29Å; F43-F45 HydrophobicContact CB-CD2 4.12Å; F43-F45 HydrophobicContact CB-CE1 4.45Å; F43-F45 HydrophobicContact CB-CE2 3.47Å; F43-F45 VanDerWaalsContact CB-CE2 3.47Å; F43-F45 HydrophobicContact CB-CZ 3.66Å; F43-F45 HydrophobicContact CG-CE2 4.41Å; F43-F45 HydrophobicContact CG-CZ 4.18Å; F43-F45 WeakPolarHBondContact O-CD2 3.5Å; F43-F45 PolarHBondContact O-N 3.23Å | ||
| 44 | R | 22 | Very low | 29 | Very low | 253 Ų | 253 | 141.6 Ų | 141.6 | 96% | 0.955 | 72% | 0.721 | S | S | * | * | trans | -86.4 | 98.3 | 172.5 | -159.5 | 173.8 | -164.5 | 160.1 | 5.5 | 109.8 | G46 | R44-G46 PolarHBondContact O-N 3.41Š| ||
| 45 | F | 25.6 | Very low | 29.1 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 79% | 0.789 | 70% | 0.703 | S | S | * | * | trans | -79.1 | 118.5 | -175 | -72.4 | -77.1 | 0 | 0 | 0 | 112.8 | F43 | F43-F45 HydrophobicContact CB-CD2 4.12Å; F43-F45 HydrophobicContact CB-CE1 4.45Å; F43-F45 HydrophobicContact CB-CE2 3.47Å; F43-F45 VanDerWaalsContact CB-CE2 3.47Å; F43-F45 HydrophobicContact CB-CZ 3.66Å; F43-F45 HydrophobicContact CG-CE2 4.41Å; F43-F45 HydrophobicContact CG-CZ 4.18Å; F43-F45 WeakPolarHBondContact O-CD2 3.5Å; F43-F45 PolarHBondContact O-N 3.23Å | ||
| 46 | G | 24.3 | Very low | 29.5 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | trans | -68.2 | 158.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112 | R44 F48 | R44-G46 PolarHBondContact O-N 3.41Å; G46-F48 PolarHBondContact O-N 3.48Å | ||
| 47 | T | 34.4 | Very low | 29.7 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -67.5 | 88.9 | -166.4 | 43.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 48 | F | 29.1 | Very low | 29.9 | Very low | 183 Ų | 183 | 125.2 Ų | 125.2 | 80% | 0.803 | 64% | 0.643 | S | S | * | * | trans | -146.1 | 96.2 | 162.6 | -81.5 | -71.6 | 0 | 0 | 0 | 112.8 | G46 D50 | G46-F48 PolarHBondContact O-N 3.48Å; F48-D50 PolarHBondContact O-N 3.25Å | ||
| 49 | G | 31 | Very low | 30.5 | Very low | 58 Ų | 58 | 123.1 Ų | 123.1 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -23.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | S51 M52 L53 | G49-S51 PolarHBondContact O-N 3.09Å; G49-M52 PolarHBondContact O-N 2.79Å; G49-L53 PolarHBondContact O-N 3.37Å |
| 50 | D | 30.2 | Very low | 31 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.9 | -30.6 | -170.5 | -62.7 | -61 | 0 | 0 | 0 | 113.8 | F48 M52 L53 Q54 | F48-D50 PolarHBondContact O-N 3.25Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3.33Å; D50-L53 PolarHBondContact O-N 3.18Å; D50-Q54 WeakPolarHBondContact O-CB 3.14Å; D50-Q54 PolarHBondContact O-N 3.25Å |
| 51 | S | 35.1 | Very low | 31.4 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.2 | -37.2 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | G49 K55 | G49-S51 PolarHBondContact O-N 3.09Å; S51-K55 WeakPolarHBondContact O-CG 3.18Å; S51-K55 PolarHBondContact O-N 3.23Å |
| 52 | M | 35.1 | Very low | 31.9 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.1 | -47.2 | 176.7 | -173.4 | 178.4 | -176.6 | 0 | 0 | 110.8 | G49 D50 Q54 K55 M56 | G49-M52 PolarHBondContact O-N 2.79Å; D50-M52 VanDerWaalsContact C-N 3.34Å; D50-M52 PolarHBondContact O-N 3.33Å; M52-Q54 VanDerWaalsContact C-N 3.29Å; M52-Q54 PolarHBondContact O-N 3.16Å; M52-K55 PolarHBondContact O-N 2.68Å; M52-M56 HydrophobicContact CE-SD 4.25Å; M52-M56 HydrophobicContact CG-SD 4.21Å; M52-M56 WeakPolarHBondContact O-CG 3.34Å; M52-M56 PolarHBondContact O-N 2.94Å |
| 53 | L | 36.4 | Very low | 32.1 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 48% | 0.482 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.5 | -35 | -178.7 | -163.6 | 69.8 | 0 | 0 | 0 | 112.2 | G49 D50 N57 | G49-L53 PolarHBondContact O-N 3.37Å; D50-L53 PolarHBondContact O-N 3.18Å; L53-N57 PolarHBondContact O-N 3.06Å; L53-N57 VanDerWaalsContact O-N 3.13Å; L53-N57 PolarHBondContact O-ND2 2.99Å |
| 54 | Q | 34.9 | Very low | 32.6 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.8 | -40 | 176.2 | -159.3 | 175.5 | 40.6 | 0 | 0 | 112 | D50 M52 N57 L58 | D50-Q54 WeakPolarHBondContact O-CB 3.14Å; D50-Q54 PolarHBondContact O-N 3.25Å; M52-Q54 VanDerWaalsContact C-N 3.29Å; M52-Q54 PolarHBondContact O-N 3.16Å; Q54-N57 PolarHBondContact O-N 3Å; Q54-L58 PolarHBondContact O-N 3.05Å |
| 55 | K | 36.8 | Very low | 33 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 48% | 0.478 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.5 | -40 | 175.9 | -70.2 | 174.3 | -177.1 | 177.2 | 0 | 112.8 | S51 M52 N57 L58 L59 | S51-K55 WeakPolarHBondContact O-CG 3.18Å; S51-K55 PolarHBondContact O-N 3.23Å; M52-K55 PolarHBondContact O-N 2.68Å; K55-N57 VanDerWaalsContact C-N 3.3Å; K55-N57 PolarHBondContact O-N 3.12Å; K55-L58 WeakPolarHBondContact O-CB 3.46Å; K55-L58 PolarHBondContact O-N 3.02Å; K55-L58 VanDerWaalsContact O-N 3.08Å; K55-L59 PolarHBondContact O-N 3.35Å |
| 56 | M | 35.4 | Very low | 33.4 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.8 | -37 | 173.4 | -68.4 | 178.7 | 76.9 | 0 | 0 | 112.2 | M52 L58 L59 R60 | M52-M56 HydrophobicContact CE-SD 4.25Å; M52-M56 HydrophobicContact CG-SD 4.21Å; M52-M56 WeakPolarHBondContact O-CG 3.34Å; M52-M56 PolarHBondContact O-N 2.94Å; M56-L58 VanDerWaalsContact C-N 3.29Å; M56-L58 PolarHBondContact O-N 2.93Å; M56-L59 PolarHBondContact O-N 3.11Å; M56-R60 PolarHBondContact O-N 3.35Å; M56-R60 VanDerWaalsContact O-N 3.11Å |
| 57 | N | 33.8 | Very low | 33.7 | Very low | 68 Ų | 68 | 117.9 Ų | 117.9 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.4 | -16.8 | 174.6 | -82.1 | -78 | 0 | 0 | 0 | 114.2 | L53 Q54 K55 R60 | L53-N57 PolarHBondContact O-N 3.06Å; L53-N57 VanDerWaalsContact O-N 3.13Å; L53-N57 PolarHBondContact O-ND2 2.99Å; Q54-N57 PolarHBondContact O-N 3Å; K55-N57 VanDerWaalsContact C-N 3.3Å; K55-N57 PolarHBondContact O-N 3.12Å; N57-R60 PolarHBondContact OD1-NH1 3.42Å |
| 58 | L | 35.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.7 | -45.8 | 167.9 | -81.2 | 162.4 | 0 | 0 | 0 | 111.3 | Q54 K55 M56 R60 R61 | Q54-L58 PolarHBondContact O-N 3.05Å; K55-L58 WeakPolarHBondContact O-CB 3.46Å; K55-L58 PolarHBondContact O-N 3.02Å; K55-L58 VanDerWaalsContact O-N 3.08Å; M56-L58 VanDerWaalsContact C-N 3.29Å; M56-L58 PolarHBondContact O-N 2.93Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.22Å; L58-R61 WeakPolarHBondContact O-CB 3.4Å; L58-R61 PolarHBondContact O-N 3.08Å |
| 59 | L | 38.1 | Very low | 33.6 | Very low | 106 Ų | 106 | 105.4 Ų | 105.4 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.3 | -40.9 | 175.9 | -65.8 | 172.6 | 0 | 0 | 0 | 111.7 | K55 M56 R61 Q62 | K55-L59 PolarHBondContact O-N 3.35Å; M56-L59 PolarHBondContact O-N 3.11Å; L59-R61 PolarHBondContact O-N 3.26Å; L59-Q62 PolarHBondContact O-N 3.39Å; L59-Q62 VanDerWaalsContact O-N 3.09Å |
| 60 | R | 36.8 | Very low | 33.6 | Very low | 196 Ų | 196 | 104.6 Ų | 104.6 | 74% | 0.74 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -27.2 | 173.1 | 179.2 | -179.9 | 170.6 | -163.3 | -0.7 | 114.3 | M56 N57 L58 | M56-R60 PolarHBondContact O-N 3.35Å; M56-R60 VanDerWaalsContact O-N 3.11Å; N57-R60 PolarHBondContact OD1-NH1 3.42Å; L58-R60 VanDerWaalsContact C-N 3.28Å; L58-R60 PolarHBondContact O-N 3.22Å |
| 61 | R | 33.3 | Very low | 33.7 | Very low | 212 Ų | 212 | 103.6 Ų | 103.6 | 80% | 0.8 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.4 | -178.9 | -72.5 | -174.1 | 173.4 | -166.3 | -1.3 | 114.7 | L58 L59 | L58-R61 WeakPolarHBondContact O-CB 3.4Å; L58-R61 PolarHBondContact O-N 3.08Å; L59-R61 PolarHBondContact O-N 3.26Å |
| 62 | Q | 34.3 | Very low | 33.6 | Very low | 122 Ų | 122 | 103.5 Ų | 103.5 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -106.2 | -5 | -170.6 | -66.1 | -165.4 | -8.9 | 0 | 0 | 115.4 | L59 R64 | L59-Q62 PolarHBondContact O-N 3.39Å; L59-Q62 VanDerWaalsContact O-N 3.09Å; Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 3.45Å |
| 63 | T | 29.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 102.5 Ų | 102.5 | 80% | 0.798 | 49% | 0.486 | S | S | * | . | trans | 43.4 | 52.4 | 173.5 | 55.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 64 | R | 33.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 105.1 Ų | 105.1 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | trans | -104.4 | 136.2 | 172.5 | -65 | -171.1 | 175.9 | -163.9 | -4.4 | 109.7 | Q62 C116 | Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 3.45Å; R64-C116 PolarHBondContact NH1-SG 2.88Å | ||
| 65 | F | 30.9 | Very low | 33.2 | Very low | 133 Ų | 133 | 103.3 Ų | 103.3 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | trans | -73 | 138.6 | 166.9 | -54.3 | -86.9 | 0 | 0 | 0 | 108.1 | V83 | F65-V83 HydrophobicContact CD1-CG2 4.38Å; F65-V83 HydrophobicContact CE1-CG2 4.25Å | ||
| 66 | C | 33.2 | Very low | 33.1 | Very low | 44 Ų | 44 | 103.9 Ų | 103.9 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -116.7 | 135.5 | 165.7 | -62.1 | 0 | 0 | 0 | 0 | 107.6 | V82 M109 | C66-V82 PolarHBondContact O-N 3.32Å; C66-M109 HydrophobicContact CB-CE 3.56Å |
| 67 | D | 29.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 102 Ų | 102 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | trans | -75.9 | 147.5 | 162.9 | -64 | -70 | 0 | 0 | 0 | 108.6 | K81 | D67-K81 WeakPolarHBondContact OD1-CG 3.34Å; D67-K81 PolarHBondContact OD1-N 3.32Å | ||
| 68 | V | 30.7 | Very low | 32.9 | Very low | 31 Ų | 31 | 103.7 Ų | 103.7 | 19% | 0.188 | 51% | 0.508 | C | S | . | . | trans | -136.6 | 96.5 | -170.3 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | V70 V82 M109 | V68-V70 HydrophobicContact CG1-CG2 4.33Å; V68-V82 HydrophobicContact CB-CG2 4.33Å; V68-V82 HydrophobicContact CG2-CB 4.2Å; V68-V82 HydrophobicContact CG2-CG2 4.31Å; V68-M109 HydrophobicContact CG2-CE 4.3Å | ||
| 69 | T | 32.4 | Very low | 32.7 | Very low | 29 Ų | 29 | 99.6 Ų | 99.6 | 18% | 0.178 | 49% | 0.492 | C | S | . | . | trans | -83.6 | 115.5 | 176.6 | -20.5 | 0 | 0 | 0 | 0 | 109 | T110 | T69-T110 PolarHBondContact OG1-OG1 3.43Š| ||
| 70 | V | 31.1 | Very low | 32.4 | Very low | 41 Ų | 41 | 102.5 Ų | 102.5 | 25% | 0.248 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.5 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | V68 I72 | V68-V70 HydrophobicContact CG1-CG2 4.33Å; V70-I72 HydrophobicContact CG1-CD1 4.48Å; V70-I72 HydrophobicContact CG1-CG1 4.14Å |
| 71 | R | 31.9 | Very low | 31.9 | Very low | 94 Ų | 94 | 99.7 Ų | 99.7 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.2 | 171.4 | -70.1 | -175.4 | 72.3 | 145.8 | -5.2 | 109.2 | L75 E76 | R71-L75 WeakPolarHBondContact CA-O 3.43Å; R71-E76 HydrophobicContact CG-CG 3.6Å; R71-E76 IonicContact CZ-OE1 3.48Å; R71-E76 IonicContact NE-OE1 3.76Å; R71-E76 IonicContact NH1-OE1 2.68Å; R71-E76 PolarHBondContact NH1-OE1 3.21Å; R71-E76 IonicContact NH1-OE2 3.85Å |
| 72 | I | 31.6 | Very low | 31.7 | Very low | 63 Ų | 63 | 90.8 Ų | 90.8 | 32% | 0.323 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 115.2 | 172.3 | -55.5 | 177.5 | 0 | 0 | 0 | 106.3 | V70 D74 L75 | V70-I72 HydrophobicContact CG1-CD1 4.48Å; V70-I72 HydrophobicContact CG1-CG1 4.14Å; I72-D74 PolarHBondContact O-N 3.19Å; I72-L75 PolarHBondContact N-O 3.3Å; I72-L75 PolarHBondContact O-N 2.95Å |
| 73 | N | 34 | Very low | 31.3 | Very low | 110 Ų | 110 | 90.1 Ų | 90.1 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.9 | 66.5 | 172.1 | -56.8 | -12.1 | 0 | 0 | 0 | 112.7 | L75 | N73-L75 VanDerWaalsContact C-N 3.27Å; N73-L75 PolarHBondContact O-N 3.35Å |
| 74 | D | 34.7 | Very low | 31.3 | Very low | 147 Ų | 147 | 90.7 Ų | 90.7 | 79% | 0.786 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | -2.8 | 179.6 | -58.2 | -47.8 | 0 | 0 | 0 | 118.5 | I72 | I72-D74 PolarHBondContact O-N 3.19Š|
| 75 | L | 30.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 86.6 Ų | 86.6 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.6 | 171 | -139.5 | 76.4 | 0 | 0 | 0 | 112.1 | R71 I72 N73 | R71-L75 WeakPolarHBondContact CA-O 3.43Å; I72-L75 PolarHBondContact N-O 3.3Å; I72-L75 PolarHBondContact O-N 2.95Å; N73-L75 VanDerWaalsContact C-N 3.27Å; N73-L75 PolarHBondContact O-N 3.35Å |
| 76 | E | 33.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 84.5 Ų | 84.5 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 124.3 | 168.2 | -85.9 | -174.8 | 150.8 | 0 | 0 | 111.3 | R71 | R71-E76 HydrophobicContact CG-CG 3.6Å; R71-E76 IonicContact CZ-OE1 3.48Å; R71-E76 IonicContact NE-OE1 3.76Å; R71-E76 IonicContact NH1-OE1 2.68Å; R71-E76 PolarHBondContact NH1-OE1 3.21Å; R71-E76 IonicContact NH1-OE2 3.85Å |
| 77 | V | 32.5 | Very low | 30.5 | Very low | 53 Ų | 53 | 86.1 Ų | 86.1 | 32% | 0.321 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 109.2 | 170.6 | -174.4 | 0 | 0 | 0 | 0 | 109 | G79 | V77-G79 PolarHBondContact O-N 3.04Å |
| 78 | P | 33.4 | Very low | 30.5 | Very low | 103 Ų | 103 | 86.2 Ų | 86.2 | 67% | 0.669 | 50% | 0.503 | S | S | * | . | trans | -76.9 | 87.6 | -175.7 | 29.2 | -34.2 | 0 | 0 | 0 | 112.7 | ||||
| 79 | G | 30.9 | Very low | 30.4 | Very low | 22 Ų | 22 | 90.2 Ų | 90.2 | 23% | 0.227 | 53% | 0.53 | C | S | . | . | trans | -79.3 | 119.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V77 | V77-G79 PolarHBondContact O-N 3.04Š| ||
| 80 | H | 31 | Very low | 30.2 | Very low | 166 Ų | 166 | 96.4 Ų | 96.4 | 77% | 0.769 | 56% | 0.555 | S | S | * | * | trans | -75.8 | 137.7 | 176.8 | -78.5 | 38.6 | 0 | 0 | 0 | 113.3 | ||||
| 81 | K | 26.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 99.8 Ų | 99.8 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | trans | 29.9 | 87.5 | 157.3 | -62.8 | -173.9 | 180 | 170 | 0 | 117.1 | D67 | D67-K81 WeakPolarHBondContact OD1-CG 3.34Å; D67-K81 PolarHBondContact OD1-N 3.32Å | ||
| 82 | V | 30.4 | Very low | 30 | Very low | 26 Ų | 26 | 104.3 Ų | 104.3 | 16% | 0.158 | 59% | 0.588 | C | S | . | * | B | Isolated β-bridge | trans | -94.1 | 136.9 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | C66 V68 L84 M147 | C66-V82 PolarHBondContact O-N 3.32Å; V68-V82 HydrophobicContact CB-CG2 4.33Å; V68-V82 HydrophobicContact CG2-CB 4.2Å; V68-V82 HydrophobicContact CG2-CG2 4.31Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; V82-M147 HydrophobicContact CB-CE 4.35Å; V82-M147 HydrophobicContact CG1-CE 3.53Å; V82-M147 HydrophobicContact CG1-SD 3.88Å; V82-M147 HydrophobicContact CG2-CE 3.86Å |
| 83 | V | 26 | Very low | 29.8 | Very low | 107 Ų | 107 | 107.8 Ų | 107.8 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | trans | -99.3 | 105 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | F65 A85 | F65-V83 HydrophobicContact CD1-CG2 4.38Å; F65-V83 HydrophobicContact CE1-CG2 4.25Å; V83-A85 PolarHBondContact O-N 2.98Å | ||
| 84 | L | 29.3 | Very low | 29.6 | Very low | 143 Ų | 143 | 109.4 Ų | 109.4 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | trans | -73.2 | 92 | -177 | -69.9 | 172.8 | 0 | 0 | 0 | 113 | V82 A86 | V82-L84 HydrophobicContact CG1-CD2 4.33Å; L84-A86 PolarHBondContact O-N 3.1Å | ||
| 85 | A | 24.1 | Very low | 29.3 | Very low | 72 Ų | 72 | 108.2 Ų | 108.2 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | trans | -89.1 | 60.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V83 G87 | V83-A85 PolarHBondContact O-N 2.98Å; A85-G87 PolarHBondContact O-N 3.03Å | ||
| 86 | A | 29.2 | Very low | 29 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | trans | -73.3 | 117.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L84 | L84-A86 PolarHBondContact O-N 3.1Š| ||
| 87 | G | 27.1 | Very low | 28.7 | Very low | 78 Ų | 78 | 113.6 Ų | 113.6 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | trans | -174.9 | 44.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | A85 | A85-G87 PolarHBondContact O-N 3.03Š| ||
| 88 | S | 28.7 | Very low | 28.3 | Very low | 72 Ų | 72 | 119.4 Ų | 119.4 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | trans | -126.4 | 119.4 | 173.5 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | F90 | S88-F90 PolarHBondContact O-N 3Å; S88-F90 WeakPolarHBondContact OG-CB 3.41Å; S88-F90 PolarHBondContact OG-N 3.05Å | ||
| 89 | P | 29.7 | Very low | 27.9 | Very low | 116 Ų | 116 | 120.5 Ų | 120.5 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -64.1 | -18.2 | 171.8 | -22.2 | 34.3 | 0 | 0 | 0 | 113.8 | L91 R92 | P89-L91 PolarHBondContact O-N 3.4Å; P89-L91 VanDerWaalsContact O-N 3.13Å; P89-R92 WeakPolarHBondContact O-CB 3.42Å; P89-R92 PolarHBondContact O-N 2.87Å |
| 90 | F | 27.6 | Very low | 28.2 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -63.1 | -18.4 | -172.6 | -140.4 | -89.6 | 0 | 0 | 0 | 114.1 | S88 R92 | S88-F90 PolarHBondContact O-N 3Å; S88-F90 WeakPolarHBondContact OG-CB 3.41Å; S88-F90 PolarHBondContact OG-N 3.05Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.5Å |
| 91 | L | 30.3 | Very low | 27.9 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 58% | 0.581 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -81.7 | -2.5 | 179.1 | -65.6 | 173.1 | 0 | 0 | 0 | 113.9 | P89 F95 | P89-L91 PolarHBondContact O-N 3.4Å; P89-L91 VanDerWaalsContact O-N 3.13Å; L91-F95 HydrophobicContact CD2-CE2 4.31Å |
| 92 | R | 28.9 | Very low | 28.1 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -76.6 | -29.3 | -175.5 | -176.2 | 172 | -86.3 | -133.9 | -9.9 | 113.8 | P89 F90 | P89-R92 WeakPolarHBondContact O-CB 3.42Å; P89-R92 PolarHBondContact O-N 2.87Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.5Å |
| 93 | D | 26.6 | Very low | 28 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -113.8 | 9.6 | -158 | -55.1 | -28.4 | 0 | 0 | 0 | 114.6 | ||
| 94 | Q | 30.1 | Very low | 28 | Very low | 145 Ų | 145 | 131 Ų | 131 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -119.6 | -12.1 | -178.3 | -73.9 | -168.8 | -46.3 | 0 | 0 | 116.1 | F96 | Q94-F96 PolarHBondContact O-N 2.86Š|
| 95 | F | 27.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 53% | 0.531 | 69% | 0.686 | S | S | . | * | trans | -99.9 | 62.2 | -175.7 | -68.5 | -75.1 | 0 | 0 | 0 | 113.5 | L91 | L91-F95 HydrophobicContact CD2-CE2 4.31Š| ||
| 96 | F | 25.6 | Very low | 28.1 | Very low | 215 Ų | 215 | 128.6 Ų | 128.6 | 94% | 0.943 | 68% | 0.682 | S | S | * | * | trans | -106.5 | 89.8 | 152 | -89.1 | -83.2 | 0 | 0 | 0 | 107.9 | Q94 | Q94-F96 PolarHBondContact O-N 2.86Š| ||
| 97 | L | 27.1 | Very low | 28.1 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | trans | -112.4 | 137.8 | 169.5 | -79.1 | 171.4 | 0 | 0 | 0 | 109.5 | ||||
| 98 | Q | 24.8 | Very low | 28.2 | Very low | 174 Ų | 174 | 125 Ų | 125 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | trans | -124.1 | 138.9 | -174.1 | -178.7 | 176.7 | -17.4 | 0 | 0 | 109.3 | ||||
| 99 | D | 25 | Very low | 28.1 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 67% | 0.674 | 63% | 0.626 | S | S | * | * | trans | 63.1 | 95.7 | 172.2 | -76.7 | -58.6 | 0 | 0 | 0 | 119.9 | ||||
| 100 | S | 36.6 | Very low | 28 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | 44.9 | 105.6 | 122.6 | 65.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 101 | S | 25.4 | Very low | 28.2 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | -170.7 | 99.4 | 124.2 | 29.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 102 | T | 30.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | trans | 45.4 | 109.1 | 150.2 | 57.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 103 | R | 26.9 | Very low | 28 | Very low | 193 Ų | 193 | 120.9 Ų | 120.9 | 73% | 0.728 | 63% | 0.627 | S | S | * | * | -176.8 | 122.7 | 120.6 | -96.9 | 160.2 | -169.6 | -177.3 | 4.2 | 108.9 | E132 | R103-E132 IonicContact NH1-OE2 3.02Å; R103-E132 PolarHBondContact NH1-OE2 3.36Å | |||
| 104 | E | 25.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | trans | -82.2 | 139.9 | -176.3 | -64.3 | -175.3 | 151.6 | 0 | 0 | 112.2 | ||||
| 105 | V | 27.3 | Very low | 28.1 | Very low | 52 Ų | 52 | 123.1 Ų | 123.1 | 32% | 0.315 | 64% | 0.642 | S | S | . | * | trans | -127.7 | 118.4 | 167.5 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 106 | Q | 29.7 | Very low | 28 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 52% | 0.523 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 106 | -171.3 | -168.8 | -179.5 | 12.9 | 0 | 0 | 111.5 | ||
| 107 | I | 28.6 | Very low | 28.2 | Very low | 58 Ų | 58 | 119.1 Ų | 119.1 | 30% | 0.297 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.6 | 175 | -55.2 | 176.2 | 0 | 0 | 0 | 109.2 | ||
| 108 | S | 28.8 | Very low | 28.2 | Very low | 33 Ų | 33 | 124.8 Ų | 124.8 | 23% | 0.231 | 65% | 0.645 | C | S | . | * | trans | -121.8 | 136.8 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 109 | M | 26.8 | Very low | 28.3 | Very low | 69 Ų | 69 | 123 Ų | 123 | 34% | 0.34 | 64% | 0.64 | S | S | . | * | trans | -106.2 | 110.8 | 177.3 | -65.9 | -176.4 | 66 | 0 | 0 | 109.5 | C66 V68 | C66-M109 HydrophobicContact CB-CE 3.56Å; V68-M109 HydrophobicContact CG2-CE 4.3Å | ||
| 110 | T | 28.6 | Very low | 28.3 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 52% | 0.521 | 65% | 0.646 | S | S | . | * | trans | -97.1 | 138.8 | 172.3 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | T69 | T69-T110 PolarHBondContact OG1-OG1 3.43Š| ||
| 111 | Q | 31.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | trans | -125 | 115.1 | 174.6 | 172.6 | 163 | 93.9 | 0 | 0 | 108.4 | ||||
| 112 | E | 26.3 | Very low | 28.1 | Very low | 188 Ų | 188 | 125.9 Ų | 125.9 | 88% | 0.879 | 64% | 0.642 | S | S | * | * | trans | -78.7 | 173.7 | 170.6 | -62.6 | -164.5 | 153.2 | 0 | 0 | 111.5 | ||||
| 113 | A | 28.6 | Very low | 27.9 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | -100.4 | 178.9 | -118.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 114 | E | 29.9 | Very low | 28 | Very low | 191 Ų | 191 | 122 Ų | 122 | 89% | 0.893 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 90.3 | 6.3 | 142.5 | -134.4 | 165 | -129.3 | 0 | 0 | 121.3 | ||
| 115 | V | 27.6 | Very low | 28 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 82% | 0.824 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -120.9 | -18.1 | 167.8 | -171.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 116 | C | 26.6 | Very low | 28.2 | Very low | 48 Ų | 48 | 119 Ų | 119 | 32% | 0.324 | 63% | 0.631 | S | S | . | * | trans | -94 | 3.9 | -168.9 | -70.1 | 0 | 0 | 0 | 0 | 116.5 | R64 R118 L119 | R64-C116 PolarHBondContact NH1-SG 2.88Å; C116-R118 PolarHBondContact O-N 3Å; C116-L119 PolarHBondContact O-N 3.26Å | ||
| 117 | Q | 28.7 | Very low | 28.1 | Very low | 203 Ų | 203 | 117.7 Ų | 117.7 | 95% | 0.949 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 2.8 | -170 | -146.6 | -173.8 | 36.1 | 0 | 0 | 116 | ||
| 118 | R | 28.3 | Very low | 28.2 | Very low | 246 Ų | 246 | 118.9 Ų | 118.9 | 93% | 0.928 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -0.1 | 173.1 | -79.4 | -175.6 | 171.2 | 165.5 | -1 | 115.1 | C116 | C116-R118 PolarHBondContact O-N 3Š|
| 119 | L | 25.3 | Very low | 28.3 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 71% | 0.712 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -137 | 104.8 | -178.1 | -77.8 | 172.2 | 0 | 0 | 0 | 112.5 | C116 | C116-L119 PolarHBondContact O-N 3.26Š|
| 120 | L | 26.3 | Very low | 28.6 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 80% | 0.801 | 65% | 0.652 | S | S | * | * | trans | 69.8 | 101.5 | 161.4 | -58.7 | 166.3 | 0 | 0 | 0 | 117.1 | S122 | L120-S122 PolarHBondContact O-N 3.47Š| ||
| 121 | L | 28 | Very low | 28.8 | Very low | 185 Ų | 185 | 122 Ų | 122 | 97% | 0.969 | 65% | 0.649 | S | S | * | * | trans | -68.2 | 107.1 | 154.1 | -77.9 | 77.8 | 0 | 0 | 0 | 109 | ||||
| 122 | S | 28.7 | Very low | 28.9 | Very low | 59 Ų | 59 | 122.5 Ų | 122.5 | 41% | 0.413 | 65% | 0.652 | S | S | . | * | trans | -161.3 | 88 | 157.7 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | L120 Y124 | L120-S122 PolarHBondContact O-N 3.47Å; S122-Y124 WeakPolarHBondContact O-CD2 3.47Å; S122-Y124 PolarHBondContact O-N 2.78Å; S122-Y124 WeakPolarHBondContact OG-CE2 3.05Å | ||
| 123 | C | 26.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | trans | -68.8 | 111.2 | 163.3 | -57.4 | 0 | 0 | 0 | 0 | 107.6 | T125 | C123-T125 PolarHBondContact O-N 3.29Å; C123-T125 VanDerWaalsContact O-N 3.16Å | ||
| 124 | Y | 28.9 | Very low | 29.5 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 49% | 0.494 | 63% | 0.625 | S | S | . | * | trans | -84.5 | 87.3 | 178.5 | -75.1 | -83.9 | 0 | 0 | 0 | 110.1 | S122 | S122-Y124 WeakPolarHBondContact O-CD2 3.47Å; S122-Y124 PolarHBondContact O-N 2.78Å; S122-Y124 WeakPolarHBondContact OG-CE2 3.05Å | ||
| 125 | T | 26.6 | Very low | 30.1 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | trans | -85 | 122.9 | 162.9 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | C123 | C123-T125 PolarHBondContact O-N 3.29Å; C123-T125 VanDerWaalsContact O-N 3.16Å | ||
| 126 | G | 31.1 | Very low | 30.5 | Very low | 47 Ų | 47 | 110.8 Ų | 110.8 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 127 | T | 27.9 | Very low | 31 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 137.4 | 165.4 | 42.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 128 | L | 31.5 | Very low | 31.6 | Very low | 83 Ų | 83 | 110.1 Ų | 110.1 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | trans | -124.9 | 96.4 | 172.9 | -174.8 | 70.2 | 0 | 0 | 0 | 107.3 | L130 Y138 | L128-L130 HydrophobicContact CD2-CD1 3.93Å; L128-L130 HydrophobicContact CD2-CG 4.41Å; L128-L130 HydrophobicContact CG-CD1 4.26Å; L128-L130 HydrophobicContact CG-CG 4.2Å; L128-L130 PolarHBondContact O-N 3.47Å; L128-Y138 HydrophobicContact CD2-CD2 4.42Å; L128-Y138 HydrophobicContact CD2-CE2 3.85Å | ||
| 129 | E | 30 | Very low | 32.2 | Very low | 137 Ų | 137 | 99.7 Ų | 99.7 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | trans | -75.4 | 113.9 | 176.1 | -69.4 | 167.4 | -130.9 | 0 | 0 | 108.8 | ||||
| 130 | L | 32.8 | Very low | 32.7 | Very low | 42 Ų | 42 | 96.4 Ų | 96.4 | 22% | 0.22 | 52% | 0.523 | C | S | . | . | trans | -131.2 | 137.3 | 172.2 | -72.5 | 173.3 | 0 | 0 | 0 | 108.6 | L128 E134 Y138 | L128-L130 HydrophobicContact CD2-CD1 3.93Å; L128-L130 HydrophobicContact CD2-CG 4.41Å; L128-L130 HydrophobicContact CG-CD1 4.26Å; L128-L130 HydrophobicContact CG-CG 4.2Å; L128-L130 PolarHBondContact O-N 3.47Å; L130-E134 HydrophobicContact CD2-CB 4.43Å; L130-Y138 HydrophobicContact CD1-CD2 3.87Å; L130-Y138 HydrophobicContact CD1-CG 4Å | ||
| 131 | P | 32.8 | Very low | 33.1 | Very low | 73 Ų | 73 | 92.9 Ų | 92.9 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | trans | -63.8 | 153.4 | 172 | 27.9 | -33.6 | 0 | 0 | 0 | 110.7 | L133 E134 L135 | P131-L133 PolarHBondContact O-N 3.36Å; P131-E134 HydrophobicContact CG-CB 4Å; P131-E134 HydrophobicContact CG-CG 3.83Å; P131-E134 PolarHBondContact O-N 2.86Å; P131-L135 PolarHBondContact O-N 3.13Å | ||
| 132 | E | 34.3 | Very low | 33.6 | Very low | 141 Ų | 141 | 85.1 Ų | 85.1 | 66% | 0.659 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56.3 | -29.4 | -171.1 | -158.2 | 160.6 | 172.4 | 0 | 0 | 113.1 | R103 | R103-E132 IonicContact NH1-OE2 3.02Å; R103-E132 PolarHBondContact NH1-OE2 3.36Å |
| 133 | L | 33.7 | Very low | 33.9 | Very low | 153 Ų | 153 | 84.7 Ų | 84.7 | 80% | 0.801 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.9 | -30 | 175.9 | -145.1 | 74.5 | 0 | 0 | 0 | 113.9 | P131 | P131-L133 PolarHBondContact O-N 3.36Å |
| 134 | E | 34.3 | Very low | 34.1 | Very low | 57 Ų | 57 | 87.6 Ų | 87.6 | 27% | 0.266 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87.6 | -23.2 | 179.8 | -72.4 | -174.2 | 176.9 | 0 | 0 | 113 | L130 P131 V136 N137 Y138 | L130-E134 HydrophobicContact CD2-CB 4.43Å; P131-E134 HydrophobicContact CG-CB 4Å; P131-E134 HydrophobicContact CG-CG 3.83Å; P131-E134 PolarHBondContact O-N 2.86Å; E134-V136 PolarHBondContact O-N 3.03Å; E134-N137 WeakPolarHBondContact O-CB 3.44Å; E134-N137 PolarHBondContact O-N 3.37Å; E134-Y138 PolarHBondContact O-N 3.44Å |
| 135 | L | 41.4 | Very low | 34.4 | Very low | 62 Ų | 62 | 86.6 Ų | 86.6 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 173.3 | -176.8 | 62.1 | 0 | 0 | 0 | 111.8 | P131 Y138 L139 | P131-L135 PolarHBondContact O-N 3.13Å; L135-Y138 PolarHBondContact O-N 3Å; L135-L139 HydrophobicContact CG-CD1 4.22Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.26Å |
| 136 | V | 36.4 | Very low | 35 | Very low | 87 Ų | 87 | 91.2 Ų | 91.2 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | E134 L139 T140 | E134-V136 PolarHBondContact O-N 3.03Å; V136-L139 PolarHBondContact O-N 3.34Å; V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 PolarHBondContact O-N 3.43Å; V136-T140 PolarHBondContact O-OG1 3.03Å |
| 137 | N | 37.4 | Very low | 35.4 | Very low | 105 Ų | 105 | 91.4 Ų | 91.4 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 174.9 | -70.4 | -32.1 | 0 | 0 | 0 | 111.3 | E134 T140 V141 | E134-N137 WeakPolarHBondContact O-CB 3.44Å; E134-N137 PolarHBondContact O-N 3.37Å; N137-T140 WeakPolarHBondContact O-CB 3.43Å; N137-T140 PolarHBondContact O-N 3.36Å; N137-V141 WeakPolarHBondContact O-CG2 3.38Å; N137-V141 PolarHBondContact O-N 3.09Å |
| 138 | Y | 41 | Very low | 35.6 | Very low | 133 Ų | 133 | 89.1 Ų | 89.1 | 52% | 0.522 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 176.7 | -168.4 | -87 | 0 | 0 | 0 | 112.2 | L128 L130 E134 L135 T140 V141 A142 | L128-Y138 HydrophobicContact CD2-CD2 4.42Å; L128-Y138 HydrophobicContact CD2-CE2 3.85Å; L130-Y138 HydrophobicContact CD1-CD2 3.87Å; L130-Y138 HydrophobicContact CD1-CG 4Å; E134-Y138 PolarHBondContact O-N 3.44Å; L135-Y138 PolarHBondContact O-N 3Å; Y138-T140 VanDerWaalsContact C-N 3.29Å; Y138-T140 PolarHBondContact O-N 3.35Å; Y138-V141 PolarHBondContact O-N 3.27Å; Y138-A142 PolarHBondContact O-N 3.05Å |
| 139 | L | 41.5 | Very low | 35.8 | Very low | 27 Ų | 27 | 92 Ų | 92 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 174 | -72.8 | 169.3 | 0 | 0 | 0 | 112.2 | L135 V136 A142 S143 V151 C154 L158 | L135-L139 HydrophobicContact CG-CD1 4.22Å; L135-L139 WeakPolarHBondContact O-CB 3.19Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.26Å; V136-L139 PolarHBondContact O-N 3.34Å; L139-A142 WeakPolarHBondContact O-CB 3.45Å; L139-A142 PolarHBondContact O-N 3.29Å; L139-S143 PolarHBondContact O-N 3.38Å; L139-V151 HydrophobicContact CB-CG1 4.41Å; L139-V151 HydrophobicContact CD2-CG2 4.44Å; L139-V151 WeakPolarHBondContact O-CG2 3.37Å; L139-C154 HydrophobicContact CD2-CB 4.21Å; L139-L158 HydrophobicContact CD1-CD1 4.1Å |
| 140 | T | 35.7 | Very low | 36.2 | Very low | 67 Ų | 67 | 88.1 Ų | 88.1 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 173.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | V136 N137 Y138 A142 S143 F144 | V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 PolarHBondContact O-N 3.43Å; V136-T140 PolarHBondContact O-OG1 3.03Å; N137-T140 WeakPolarHBondContact O-CB 3.43Å; N137-T140 PolarHBondContact O-N 3.36Å; Y138-T140 VanDerWaalsContact C-N 3.29Å; Y138-T140 PolarHBondContact O-N 3.35Å; T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.27Å; T140-S143 PolarHBondContact O-N 3.46Å; T140-S143 PolarHBondContact O-OG 3.29Å; T140-F144 WeakPolarHBondContact O-CD2 3.42Å; T140-F144 PolarHBondContact O-N 3.38Å |
| 141 | V | 35.2 | Very low | 36.4 | Very low | 78 Ų | 78 | 87 Ų | 87 | 47% | 0.473 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -32.9 | 172 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | N137 Y138 | N137-V141 WeakPolarHBondContact O-CG2 3.38Å; N137-V141 PolarHBondContact O-N 3.09Å; Y138-V141 PolarHBondContact O-N 3.27Å |
| 142 | A | 37 | Very low | 36.7 | Very low | 22 Ų | 22 | 88.6 Ų | 88.6 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y138 L139 T140 F144 L145 M147 V151 | Y138-A142 PolarHBondContact O-N 3.05Å; L139-A142 WeakPolarHBondContact O-CB 3.45Å; L139-A142 PolarHBondContact O-N 3.29Å; T140-A142 VanDerWaalsContact C-N 3.3Å; T140-A142 PolarHBondContact O-N 3.27Å; A142-F144 VanDerWaalsContact C-N 3.29Å; A142-F144 PolarHBondContact O-N 3.46Å; A142-L145 WeakPolarHBondContact O-CA 3.26Å; A142-L145 WeakPolarHBondContact O-CB 3.41Å; A142-L145 PolarHBondContact O-N 3.14Å; A142-M147 WeakPolarHBondContact O-CB 3.43Å; A142-V151 HydrophobicContact CB-CG2 4.01Å |
| 143 | S | 35 | Very low | 37 | Very low | 50 Ų | 50 | 86.4 Ų | 86.4 | 35% | 0.35 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -33.1 | 177.7 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | L139 T140 L145 Q146 | L139-S143 PolarHBondContact O-N 3.38Å; T140-S143 PolarHBondContact O-N 3.46Å; T140-S143 PolarHBondContact O-OG 3.29Å; S143-L145 PolarHBondContact O-N 2.91Å; S143-Q146 PolarHBondContact O-N 3.47Å |
| 144 | F | 31.5 | Very low | 37.3 | Very low | 176 Ų | 176 | 80.3 Ų | 80.3 | 77% | 0.772 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.1 | 169.4 | -92.7 | -75.3 | 0 | 0 | 0 | 114.6 | T140 A142 | T140-F144 WeakPolarHBondContact O-CD2 3.42Å; T140-F144 PolarHBondContact O-N 3.38Å; A142-F144 VanDerWaalsContact C-N 3.29Å; A142-F144 PolarHBondContact O-N 3.46Å |
| 145 | L | 36.3 | Very low | 37.6 | Very low | 105 Ų | 105 | 80.8 Ų | 80.8 | 55% | 0.55 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 20.3 | 177.7 | -64.9 | 171.6 | 0 | 0 | 0 | 113.4 | A142 S143 M147 | A142-L145 WeakPolarHBondContact O-CA 3.26Å; A142-L145 WeakPolarHBondContact O-CB 3.41Å; A142-L145 PolarHBondContact O-N 3.14Å; S143-L145 PolarHBondContact O-N 2.91Å; L145-M147 PolarHBondContact O-N 3.42Å |
| 146 | Q | 37.7 | Very low | 37.6 | Very low | 185 Ų | 185 | 82.7 Ų | 82.7 | 86% | 0.864 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 18.2 | -176.3 | -52.2 | -166.2 | -78.6 | 0 | 0 | 115.2 | S143 G148 | S143-Q146 PolarHBondContact O-N 3.47Å; Q146-G148 PolarHBondContact O-N 2.87Å |
| 147 | M | 39.2 | Very low | 37.8 | Very low | 51 Ų | 51 | 80.1 Ų | 80.1 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | trans | -78.9 | 30.2 | 173.6 | -64 | -67 | -67.6 | 0 | 0 | 113.4 | V82 A142 L145 H149 V150 V151 | V82-M147 HydrophobicContact CB-CE 4.35Å; V82-M147 HydrophobicContact CG1-CE 3.53Å; V82-M147 HydrophobicContact CG1-SD 3.88Å; V82-M147 HydrophobicContact CG2-CE 3.86Å; A142-M147 WeakPolarHBondContact O-CB 3.43Å; L145-M147 PolarHBondContact O-N 3.42Å; M147-H149 PolarHBondContact O-N 3.32Å; M147-V150 HydrophobicContact CE-CB 4.17Å; M147-V150 HydrophobicContact CE-CG1 4.49Å; M147-V150 HydrophobicContact CE-CG2 3.81Å; M147-V150 PolarHBondContact O-N 2.92Å; M147-V151 PolarHBondContact O-N 2.91Å; M147-V151 VanDerWaalsContact O-N 3.09Å | ||
| 148 | G | 32.9 | Very low | 37.9 | Very low | 37 Ų | 37 | 77.9 Ų | 77.9 | 38% | 0.381 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -53.4 | -49.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q146 V150 V151 E152 | Q146-G148 PolarHBondContact O-N 2.87Å; G148-V150 VanDerWaalsContact C-N 3.28Å; G148-V150 PolarHBondContact O-N 3.44Å; G148-V151 PolarHBondContact O-N 2.92Å; G148-E152 WeakPolarHBondContact O-CB 3.44Å; G148-E152 PolarHBondContact O-N 3.5Å |
| 149 | H | 35.8 | Very low | 37.8 | Very low | 144 Ų | 144 | 77.5 Ų | 77.5 | 67% | 0.667 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.8 | -33.2 | 179.7 | -119.6 | -80.4 | 0 | 0 | 0 | 113.9 | M147 Q153 | M147-H149 PolarHBondContact O-N 3.32Å; H149-Q153 WeakPolarHBondContact O-CG 3.42Å; H149-Q153 PolarHBondContact O-N 3.02Å; H149-Q153 VanDerWaalsContact O-N 3.14Å |
| 150 | V | 37.3 | Very low | 37.7 | Very low | 55 Ų | 55 | 83.8 Ų | 83.8 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.9 | -43.7 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 110 | M147 G148 E152 Q153 C154 | M147-V150 HydrophobicContact CE-CB 4.17Å; M147-V150 HydrophobicContact CE-CG1 4.49Å; M147-V150 HydrophobicContact CE-CG2 3.81Å; M147-V150 PolarHBondContact O-N 2.92Å; G148-V150 VanDerWaalsContact C-N 3.28Å; G148-V150 PolarHBondContact O-N 3.44Å; V150-E152 VanDerWaalsContact C-N 3.34Å; V150-E152 PolarHBondContact O-N 3.3Å; V150-Q153 PolarHBondContact O-N 3.41Å; V150-C154 WeakPolarHBondContact O-CB 3.48Å; V150-C154 PolarHBondContact O-N 3.41Å; V150-C154 PolarHBondContact O-SG 3.39Å; V150-C154 VanDerWaalsContact O-SG 3.32Å |
| 151 | V | 37.7 | Very low | 37.7 | Very low | 19 Ų | 19 | 87.3 Ų | 87.3 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.3 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | L139 A142 M147 G148 Q153 C154 T155 | L139-V151 HydrophobicContact CB-CG1 4.41Å; L139-V151 HydrophobicContact CD2-CG2 4.44Å; L139-V151 WeakPolarHBondContact O-CG2 3.37Å; A142-V151 HydrophobicContact CB-CG2 4.01Å; M147-V151 PolarHBondContact O-N 2.91Å; M147-V151 VanDerWaalsContact O-N 3.09Å; G148-V151 PolarHBondContact O-N 2.92Å; V151-Q153 PolarHBondContact O-N 2.84Å; V151-C154 PolarHBondContact O-N 3.41Å; V151-T155 WeakPolarHBondContact O-CB 3.38Å; V151-T155 PolarHBondContact O-N 3.22Å; V151-T155 PolarHBondContact O-OG1 2.82Å; V151-T155 VanDerWaalsContact O-OG1 3.05Å |
| 152 | E | 38.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 89.4 Ų | 89.4 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.6 | -175.7 | 172.2 | -175.5 | 0 | 0 | 112.4 | G148 V150 T155 Q156 | G148-E152 WeakPolarHBondContact O-CB 3.44Å; G148-E152 PolarHBondContact O-N 3.5Å; V150-E152 VanDerWaalsContact C-N 3.34Å; V150-E152 PolarHBondContact O-N 3.3Å; E152-T155 PolarHBondContact O-N 3.26Å; E152-Q156 WeakPolarHBondContact O-CB 3.49Å; E152-Q156 VanDerWaalsContact O-CG 3.26Å; E152-Q156 WeakPolarHBondContact O-CG 3.23Å; E152-Q156 PolarHBondContact O-N 3.27Å; E152-Q156 PolarHBondContact OE1-NE2 3.42Å |
| 153 | Q | 40.9 | Very low | 37.4 | Very low | 94 Ų | 94 | 95.2 Ų | 95.2 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 175.9 | -74.9 | -176 | -8.9 | 0 | 0 | 112.9 | H149 V150 V151 Q156 A157 | H149-Q153 WeakPolarHBondContact O-CG 3.42Å; H149-Q153 PolarHBondContact O-N 3.02Å; H149-Q153 VanDerWaalsContact O-N 3.14Å; V150-Q153 PolarHBondContact O-N 3.41Å; V151-Q153 PolarHBondContact O-N 2.84Å; Q153-Q156 PolarHBondContact O-N 3.03Å; Q153-A157 WeakPolarHBondContact O-CB 3.48Å; Q153-A157 PolarHBondContact O-N 2.99Å |
| 154 | C | 40.8 | Very low | 37.2 | Very low | 26 Ų | 26 | 98 Ų | 98 | 18% | 0.176 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 174 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | L139 V150 V151 A157 L158 | L139-C154 HydrophobicContact CD2-CB 4.21Å; V150-C154 WeakPolarHBondContact O-CB 3.48Å; V150-C154 PolarHBondContact O-N 3.41Å; V150-C154 PolarHBondContact O-SG 3.39Å; V150-C154 VanDerWaalsContact O-SG 3.32Å; V151-C154 PolarHBondContact O-N 3.41Å; C154-A157 PolarHBondContact O-N 3.2Å; C154-L158 WeakPolarHBondContact O-CB 3.16Å; C154-L158 WeakPolarHBondContact O-CG 3.39Å; C154-L158 PolarHBondContact O-N 3.35Å |
| 155 | T | 40.3 | Very low | 37.3 | Very low | 66 Ų | 66 | 101.2 Ų | 101.2 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | V151 E152 A157 L158 M159 | V151-T155 WeakPolarHBondContact O-CB 3.38Å; V151-T155 PolarHBondContact O-N 3.22Å; V151-T155 PolarHBondContact O-OG1 2.82Å; V151-T155 VanDerWaalsContact O-OG1 3.05Å; E152-T155 PolarHBondContact O-N 3.26Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 3.36Å; T155-L158 PolarHBondContact O-N 3.37Å; T155-M159 HydrophobicContact CG2-CG 4.27Å; T155-M159 WeakPolarHBondContact O-CB 3.27Å; T155-M159 WeakPolarHBondContact O-CG 3.39Å; T155-M159 PolarHBondContact O-N 2.9Å |
| 156 | Q | 42.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 174 | -73.1 | 176.7 | 18.7 | 0 | 0 | 112.6 | E152 Q153 K160 | E152-Q156 WeakPolarHBondContact O-CB 3.49Å; E152-Q156 VanDerWaalsContact O-CG 3.26Å; E152-Q156 WeakPolarHBondContact O-CG 3.23Å; E152-Q156 PolarHBondContact O-N 3.27Å; E152-Q156 PolarHBondContact OE1-NE2 3.42Å; Q153-Q156 PolarHBondContact O-N 3.03Å; Q156-K160 WeakPolarHBondContact O-CG 3.46Å; Q156-K160 PolarHBondContact O-N 3.26Å |
| 157 | A | 40.2 | Very low | 36.4 | Very low | 34 Ų | 34 | 101.5 Ų | 101.5 | 28% | 0.281 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q153 C154 T155 K160 F161 | Q153-A157 WeakPolarHBondContact O-CB 3.48Å; Q153-A157 PolarHBondContact O-N 2.99Å; C154-A157 PolarHBondContact O-N 3.2Å; T155-A157 VanDerWaalsContact C-N 3.32Å; T155-A157 PolarHBondContact O-N 3.36Å; A157-K160 PolarHBondContact O-N 3.43Å; A157-F161 PolarHBondContact O-N 3.3Å |
| 158 | L | 38.8 | Very low | 35.9 | Very low | 58 Ų | 58 | 108.5 Ų | 108.5 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 174.8 | -77.8 | 162.4 | 0 | 0 | 0 | 112.1 | L139 C154 T155 K160 F161 I162 | L139-L158 HydrophobicContact CD1-CD1 4.1Å; C154-L158 WeakPolarHBondContact O-CB 3.16Å; C154-L158 WeakPolarHBondContact O-CG 3.39Å; C154-L158 PolarHBondContact O-N 3.35Å; T155-L158 PolarHBondContact O-N 3.37Å; L158-K160 VanDerWaalsContact C-N 3.25Å; L158-K160 PolarHBondContact O-N 3.05Å; L158-F161 CarbonylContact O-C 3.59Å; L158-F161 WeakPolarHBondContact O-CA 3.36Å; L158-F161 WeakPolarHBondContact O-CB 3.45Å; L158-F161 PolarHBondContact O-N 3.44Å; L158-I162 HydrophobicContact CB-CD1 4.4Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.05Å |
| 159 | M | 38.5 | Very low | 35.6 | Very low | 124 Ų | 124 | 113.1 Ų | 113.1 | 61% | 0.611 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -28.1 | 177.1 | -71.6 | -68.3 | -74.9 | 0 | 0 | 113 | T155 | T155-M159 HydrophobicContact CG2-CG 4.27Å; T155-M159 WeakPolarHBondContact O-CB 3.27Å; T155-M159 WeakPolarHBondContact O-CG 3.39Å; T155-M159 PolarHBondContact O-N 2.9Å |
| 160 | K | 41.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 115.8 Ų | 115.8 | 70% | 0.696 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.1 | -27.7 | 169.5 | -72.3 | 172.1 | -178.8 | 178.2 | 0 | 112.9 | Q156 A157 L158 | Q156-K160 WeakPolarHBondContact O-CG 3.46Å; Q156-K160 PolarHBondContact O-N 3.26Å; A157-K160 PolarHBondContact O-N 3.43Å; L158-K160 VanDerWaalsContact C-N 3.25Å; L158-K160 PolarHBondContact O-N 3.05Å |
| 161 | F | 34.7 | Very low | 34.8 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 61% | 0.614 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -81.4 | -29.2 | 177.9 | -119.2 | -88.1 | 0 | 0 | 0 | 113.4 | A157 L158 | A157-F161 PolarHBondContact O-N 3.3Å; L158-F161 CarbonylContact O-C 3.59Å; L158-F161 WeakPolarHBondContact O-CA 3.36Å; L158-F161 WeakPolarHBondContact O-CB 3.45Å; L158-F161 PolarHBondContact O-N 3.44Å |
| 162 | I | 34.2 | Very low | 34.1 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -85.8 | -8.6 | -175.1 | -67.9 | 164.7 | 0 | 0 | 0 | 112.7 | L158 | L158-I162 HydrophobicContact CB-CD1 4.4Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.05Å |
| 163 | Q | 31.9 | Very low | 34 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -58.6 | 128.6 | 175.1 | -73.2 | -166.3 | -14.1 | 0 | 0 | 111.4 | R165 | Q163-R165 PolarHBondContact O-N 3Š|
| 164 | P | 31.6 | Very low | 33.2 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 66% | 0.662 | S | S | * | * | trans | -65.6 | 128.7 | -177.3 | 25.8 | -33.7 | 0 | 0 | 0 | 110.7 | H166 | P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.42Å | ||
| 165 | R | 32.2 | Very low | 32.4 | Very low | 243 Ų | 243 | 139.1 Ų | 139.1 | 92% | 0.917 | 69% | 0.687 | S | S | * | * | trans | -70 | 79.2 | -179.9 | -67.2 | -179.5 | 176.4 | -178.6 | -1.9 | 111.8 | Q163 | Q163-R165 PolarHBondContact O-N 3Š| ||
| 166 | H | 29 | Very low | 31.7 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | -65.9 | 137.6 | 163.8 | -99.8 | -95.2 | 0 | 0 | 0 | 110.5 | P164 Q168 | P164-H166 VanDerWaalsContact C-N 3.31Å; P164-H166 PolarHBondContact O-N 3.42Å; H166-Q168 PolarHBondContact O-N 2.86Å | ||
| 167 | C | 27.1 | Very low | 31 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -57.3 | 132.4 | -165.7 | -71.4 | 0 | 0 | 0 | 0 | 114.4 | V169 | C167-V169 PolarHBondContact O-N 3.37Š| ||
| 168 | Q | 27.7 | Very low | 30.3 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -73.7 | 114.9 | 153.3 | -69.7 | -178.7 | -11.3 | 0 | 0 | 109 | H166 | H166-Q168 PolarHBondContact O-N 2.86Š| ||
| 169 | V | 28.1 | Very low | 29.6 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -100 | 135.9 | 154.3 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | C167 | C167-V169 PolarHBondContact O-N 3.37Š| ||
| 170 | K | 31.1 | Very low | 29.1 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -65.2 | 143 | -167.3 | -59.2 | 174.8 | -178.6 | 177.4 | 0 | 112.3 | ||||
| 171 | Q | 25 | Very low | 28.4 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -134.3 | 131.4 | 152.8 | -74.6 | -170.6 | -16.4 | 0 | 0 | 110.5 | ||||
| 172 | Q | 22.8 | Very low | 27.9 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -158.4 | 151.7 | 163.5 | -114.9 | -171.7 | -3.9 | 0 | 0 | 106 | ||||
| 173 | P | 35 | Very low | 27.5 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | -117.2 | -157.9 | -94.7 | 38.6 | -29.6 | 0 | 0 | 0 | 112.1 | |||||
| 174 | Q | 23.9 | Very low | 27.1 | Very low | 156 Ų | 156 | 159.8 Ų | 159.8 | 73% | 0.729 | 82% | 0.817 | S | S | * | * | trans | 75.3 | 148.2 | -179 | -47.9 | -178.5 | -96.3 | 0 | 0 | 113.2 | ||||
| 175 | E | 25.2 | Very low | 26.7 | Very low | 150 Ų | 150 | 158.9 Ų | 158.9 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | cis | -156.4 | 171.4 | -16.9 | -118 | 143.5 | -143.9 | 0 | 0 | 109 | ||||
| 176 | E | 26.2 | Very low | 26.4 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | 8.3 | 140.8 | 162.7 | -59.2 | 180 | 153.5 | 0 | 0 | 122.8 | ||||
| 177 | E | 26.6 | Very low | 27 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | 58.1 | 144.6 | 158.3 | -59.7 | -179.6 | 166 | 0 | 0 | 118.4 | ||||
| 178 | G | 26.5 | Very low | 26.9 | Very low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | cis | -172 | -152.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 179 | D | 23.8 | Very low | 26.8 | Very low | 173 Ų | 173 | 149 Ų | 149 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -47 | 159.8 | 177.5 | 29.6 | -75.1 | 0 | 0 | 0 | 118.4 | ||||
| 180 | G | 27.7 | Very low | 26.7 | Very low | 77 Ų | 77 | 152.8 Ų | 152.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 142.3 | 92.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 181 | E | 26.1 | Very low | 26.5 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -9 | 140.4 | 150.7 | -76.7 | -165.5 | 166.1 | 0 | 0 | 123.7 | ||||
| 182 | T | 25.4 | Very low | 26.5 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | 82.7 | 114.7 | 125.1 | -62.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 183 | L | 25 | Very low | 26.6 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 32.4 | 127.3 | 141.4 | -56 | 171.1 | 0 | 0 | 0 | 121.3 | ||||
| 184 | R | 24 | Very low | 26 | Very low | 250 Ų | 250 | 150 Ų | 150 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | -170.4 | 152.4 | 102.2 | -106.3 | 175.2 | -179.5 | -166 | -0.1 | 115.6 | |||||
| 185 | A | 22.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 147.6 Ų | 147.6 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -76.4 | -179.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 186 | S | 25.7 | Very low | 27.1 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | cis | 178.3 | -155.9 | 35.2 | -136.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 187 | P | 40.6 | Very low | 27.1 | Very low | 100 Ų | 100 | 145 Ų | 145 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | -124.1 | -168.1 | -51.3 | 38.9 | -23.7 | 0 | 0 | 0 | 111 | |||||
| 188 | I | 25.3 | Very low | 27 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | -169.3 | 150.7 | 124.5 | -99.9 | 158.5 | 0 | 0 | 0 | 110.1 | |||||
| 189 | Q | 27.3 | Very low | 27 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -114.5 | 164.4 | -166 | -57.3 | 161 | -49.7 | 0 | 0 | 113.2 | ||||
| 190 | K | 25.7 | Very low | 27 | Very low | 215 Ų | 215 | 149 Ų | 149 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | -150.1 | 153.8 | 135.4 | -114.8 | 168.6 | -174.3 | 175.3 | 0 | 111.2 | ||||
| 191 | I | 26.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -134.4 | 145.4 | -159.8 | -64.8 | 163.2 | 0 | 0 | 0 | 109.8 | ||||
| 192 | K | 25 | Very low | 26.7 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | -169 | 99.8 | 142.1 | -111.4 | 178.4 | 177.7 | -165.6 | 0 | 115.9 | ||||
| 193 | E | 24.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 43.7 | 108.9 | 125.3 | -60.9 | 166.1 | 151.9 | 0 | 0 | 121.7 | |||||
| 194 | L | 22.2 | Very low | 27 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | 21.7 | 165.5 | 109.5 | -68.9 | 161.9 | 0 | 0 | 0 | 120.8 | |||||
| 195 | P | 46.8 | Very low | 27.3 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | cis | -114.9 | -146 | -3.7 | 20.7 | 5.5 | 0 | 0 | 0 | 110.7 | ||||
| 196 | H | 24 | Very low | 27.5 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | cis | -154.6 | -158.3 | 8 | -137.8 | -32.3 | 0 | 0 | 0 | 111.5 | ||||
| 197 | A | 26.4 | Very low | 27.6 | Very low | 82 Ų | 82 | 153.2 Ų | 153.2 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -151.3 | 171.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 198 | Q | 25.6 | Very low | 27.1 | Very low | 199 Ų | 199 | 157.9 Ų | 157.9 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -158.4 | 169.9 | 149.1 | -118.8 | 172.6 | 58.8 | 0 | 0 | 113.6 | ||||
| 199 | V | 26.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -138.9 | 155 | -157.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 200 | K | 23 | Very low | 27.3 | Very low | 206 Ų | 206 | 158.2 Ų | 158.2 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | -157.5 | 139.5 | 147.6 | -116.6 | 168.4 | -174.8 | -179.7 | 0 | 114.4 | ||||
| 201 | H | 25.6 | Very low | 27.3 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -103.3 | 168.3 | 168.5 | -90.3 | -124.6 | 0 | 0 | 0 | 110.4 | ||||
| 202 | R | 22.7 | Very low | 27.3 | Very low | 194 Ų | 194 | 154.2 Ų | 154.2 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -157.1 | 156.3 | 130.6 | -162.3 | 151.9 | -173.5 | -176.5 | -5.9 | 112 | E204 | R202-E204 IonicContact CZ-OE1 3.13Å; R202-E204 IonicContact CZ-OE2 3.18Å; R202-E204 VanDerWaalsContact NE-CD 3.34Å; R202-E204 IonicContact NE-OE1 2.69Å; R202-E204 PolarHBondContact NE-OE1 3.28Å; R202-E204 IonicContact NE-OE2 3.22Å; R202-E204 PolarHBondContact NE-OE2 3.09Å; R202-E204 IonicContact NH2-OE1 2.75Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å; R202-E204 IonicContact NH2-OE2 2.69Å; R202-E204 PolarHBondContact NH2-OE2 3.38Å | ||
| 203 | E | 26.8 | Very low | 27.3 | Very low | 148 Ų | 148 | 150.5 Ų | 150.5 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -108.8 | -143.7 | 178.7 | -64 | 120.1 | 140.7 | 0 | 0 | 111.3 | ||||
| 204 | E | 30 | Very low | 27.4 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 52% | 0.519 | 76% | 0.763 | S | S | . | * | trans | 77 | 131.4 | 178 | -57.3 | 138.4 | -132.4 | 0 | 0 | 116.4 | R202 | R202-E204 IonicContact CZ-OE1 3.13Å; R202-E204 IonicContact CZ-OE2 3.18Å; R202-E204 VanDerWaalsContact NE-CD 3.34Å; R202-E204 IonicContact NE-OE1 2.69Å; R202-E204 PolarHBondContact NE-OE1 3.28Å; R202-E204 IonicContact NE-OE2 3.22Å; R202-E204 PolarHBondContact NE-OE2 3.09Å; R202-E204 IonicContact NH2-OE1 2.75Å; R202-E204 PolarHBondContact NH2-OE1 3.47Å; R202-E204 IonicContact NH2-OE2 2.69Å; R202-E204 PolarHBondContact NH2-OE2 3.38Å | ||
| 205 | E | 30 | Very low | 27.6 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | cis | -169.7 | 135 | -21.4 | -121 | 131.8 | -116.8 | 0 | 0 | 112.6 | ||||
| 206 | D | 26.7 | Very low | 27.2 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 45.9 | 156.9 | 148.7 | -53.5 | -19.9 | 0 | 0 | 0 | 129 | ||||
| 207 | D | 26.8 | Very low | 27.2 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 34.4 | 138 | 148.4 | -60.2 | -16.2 | 0 | 0 | 0 | 126.8 | ||||
| 208 | E | 31.5 | Very low | 27 | Very low | 198 Ų | 198 | 152.2 Ų | 152.2 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | 178.5 | 159.1 | 107.5 | -97.2 | -170.2 | 169.6 | 0 | 0 | 113.8 | |||||
| 209 | D | 27 | Very low | 27.6 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -93.4 | 163.9 | -176.9 | -65.2 | -70.5 | 0 | 0 | 0 | 114.5 | ||||
| 210 | D | 29.8 | Very low | 27.6 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -158.1 | 139.9 | 141.4 | -140.1 | -16.2 | 0 | 0 | 0 | 112.9 | ||||
| 211 | D | 24.8 | Very low | 27.7 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | trans | -141.6 | 125.4 | -164.9 | -170.7 | 16.4 | 0 | 0 | 0 | 113.9 | ||||
| 212 | V | 27.6 | Very low | 27.7 | Very low | 133 Ų | 133 | 150.3 Ų | 150.3 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -151.7 | 96.2 | -178 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 213 | I | 25.1 | Very low | 27.9 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 55% | 0.549 | 77% | 0.765 | S | S | . | * | 56.5 | 119 | 51.9 | -35.1 | 175.3 | 0 | 0 | 0 | 110.7 | |||||
| 214 | I | 26 | Very low | 27.8 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | cis | -148.1 | 133.2 | 45.5 | -57.6 | -93.6 | 0 | 0 | 0 | 106.9 | ||||
| 215 | Q | 26 | Very low | 27.8 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | 75.8 | 166.2 | 69.9 | -114.7 | -159.9 | 80.6 | 0 | 0 | 115.8 | |||||
| 216 | P | 40.3 | Very low | 27.6 | Very low | 95 Ų | 95 | 151.5 Ų | 151.5 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | -131.9 | -178 | -111.2 | 44.2 | -27.9 | 0 | 0 | 0 | 116.4 | |||||
| 217 | M | 23.7 | Very low | 27.7 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -145.2 | 152 | 149.5 | -75.2 | -147.3 | 87.9 | 0 | 0 | 113.3 | ||||
| 218 | T | 21.2 | Very low | 27.6 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -130 | -167.2 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 219 | P | 37.6 | Very low | 27.4 | Very low | 107 Ų | 107 | 151 Ų | 151 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | -124.1 | 176.3 | -55.7 | 34.1 | -19.5 | 0 | 0 | 0 | 111.9 | |||||
| 220 | T | 26.4 | Very low | 27.4 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -144.8 | 137.1 | 148.3 | -27.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 221 | Q | 26.5 | Very low | 27.2 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | trans | -105.4 | 146 | 179 | -62.5 | 175 | -14.7 | 0 | 0 | 112.3 | ||||
| 222 | R | 25.2 | Very low | 27.4 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | 176.7 | 120.5 | 126.6 | -94 | 156.8 | -170.6 | -147 | 2.2 | 108.5 | |||||
| 223 | R | 26.4 | Very low | 27.2 | Very low | 213 Ų | 213 | 151.3 Ų | 151.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 65.9 | 130 | 87.7 | -72.7 | -169.9 | 179.6 | 178.2 | 0.9 | 113 | |||||
| 224 | D | 25.5 | Very low | 27.1 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 59% | 0.594 | 81% | 0.805 | S | S | * | * | cis | -154 | 152.2 | 6.3 | -124.2 | -50.8 | 0 | 0 | 0 | 113.9 | ||||
| 225 | R | 28.8 | Very low | 27 | Very low | 236 Ų | 236 | 152.6 Ų | 152.6 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | 13.6 | 140.1 | 159.9 | -71.6 | 160.1 | 172.6 | 164.7 | -3.4 | 122.6 | ||||
| 226 | G | 26.6 | Very low | 26.9 | Very low | 78 Ų | 78 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 172 | 44.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 227 | E | 29.4 | Very low | 25.9 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 95% | 0.949 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 157.6 | -175.3 | -69.9 | 175.2 | 144.2 | 0 | 0 | 114.1 | ||||
| 228 | G | 24.1 | Very low | 25.9 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -104.7 | -157.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 229 | E | 26.7 | Very low | 25.9 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -71.7 | 136.8 | -170.9 | -53.6 | 167.7 | 137.2 | 0 | 0 | 113.5 | ||||
| 230 | E | 27.5 | Very low | 25.2 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -154.8 | 155 | 140.8 | -124 | 176.5 | -140.5 | 0 | 0 | 110.3 | ||||
| 231 | S | 26.7 | Very low | 25.1 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -136.7 | 133.5 | -164.2 | 59 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 232 | P | 27.8 | Very low | 24.9 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 129.6 | 173.7 | 32.8 | -32.3 | 0 | 0 | 0 | 112 | ||
| 233 | I | 23.7 | Very low | 24.8 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 129.7 | 176.4 | -63.8 | 168.3 | 0 | 0 | 0 | 110.1 | ||
| 234 | T | 24 | Very low | 24.8 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 128.5 | 172.3 | -36.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 235 | I | 22.7 | Very low | 24.6 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 123.7 | 178.6 | -61.7 | 169.6 | 0 | 0 | 0 | 109.5 | ||
| 236 | V | 23 | Very low | 24.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | -120.3 | 123.4 | 163.8 | -179.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 237 | K | 21 | Very low | 24.3 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -117.7 | 120.2 | -178.4 | -173.7 | -177.4 | -179.1 | -173.6 | 0 | 108.3 | ||||
| 238 | V | 22.6 | Very low | 24 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -110.2 | 148.3 | 172 | -178 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 239 | E | 21.7 | Very low | 23.9 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -86.3 | 173.7 | -161.5 | -60.4 | -176.4 | 116.4 | 0 | 0 | 114 | ||||
| 240 | A | 23.8 | Very low | 23.8 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -83.3 | 155.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 241 | V | 23 | Very low | 23.7 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | -177.9 | 148.5 | 118.8 | 147.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 242 | C | 23.1 | Very low | 23.7 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -132.3 | 112 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 243 | E | 22.7 | Very low | 23.4 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 62% | 0.621 | 79% | 0.786 | S | S | * | * | trans | -141.7 | 129.6 | 170.4 | -79.2 | -138.9 | 149.7 | 0 | 0 | 113.5 | ||||
| 244 | R | 25.8 | Very low | 23.4 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 65.9 | 118.3 | 137.3 | -66.9 | -171.3 | -134.4 | -127.9 | -3.6 | 122.4 | ||||
| 245 | V | 21.9 | Very low | 23.4 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 93.3 | 141.5 | 124.7 | 171.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 246 | S | 25 | Very low | 23.3 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -63.5 | 154.5 | 179.9 | -40.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 247 | E | 23.8 | Very low | 23.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | -177 | 167.2 | 105 | -105.2 | -176.7 | 174.6 | 0 | 0 | 115.8 | |||||
| 248 | M | 23.3 | Very low | 23.3 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 55.5 | 90.9 | 148.8 | -69.5 | 179.7 | -169 | 0 | 0 | 122.5 | ||||
| 249 | S | 22.9 | Very low | 23.4 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 56.9 | 132.4 | 110 | 69.5 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 250 | A | 24.8 | Very low | 23.5 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | 97.1 | 139.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 251 | S | 24.4 | Very low | 24.1 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 147.5 | 171.6 | -61.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 252 | I | 26.6 | Very low | 24.1 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | cis | -117.6 | 156 | 22.6 | -70.7 | 166.5 | 0 | 0 | 0 | 112.3 | ||||
| 253 | A | 22.1 | Very low | 24.1 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -115.6 | 160 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 254 | G | 22.4 | Very low | 24.1 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 104.6 | 146.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 255 | C | 24.2 | Very low | 24 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 86% | 0.858 | 79% | 0.789 | S | S | * | * | cis | -125.2 | 145.1 | 8.4 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 256 | F | 20.8 | Very low | 24.1 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -79.3 | 151.8 | 157.1 | -75.2 | -104.9 | 0 | 0 | 0 | 109.2 | ||||
| 257 | H | 22.9 | Very low | 24.1 | Very low | 194 Ų | 194 | 132.1 Ų | 132.1 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -145 | 148.5 | 132.4 | -98.9 | -65.5 | 0 | 0 | 0 | 110.9 | ||||
| 258 | T | 22.3 | Very low | 24.3 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -97.8 | 139 | -161.5 | 49 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 259 | S | 23.8 | Very low | 25.2 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -156.9 | 142.7 | 139.8 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 260 | S | 23.6 | Very low | 25.2 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -167.9 | 160.1 | 176.3 | -83.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 261 | P | 37.8 | Very low | 25.4 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -123.8 | -178.7 | -17.1 | 39.7 | -26.1 | 0 | 0 | 0 | 111.7 | ||||
| 262 | L | 21.4 | Very low | 25.5 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | -169.5 | 157.7 | 127.4 | -104.4 | 169 | 0 | 0 | 0 | 112.2 | |||||
| 263 | T | 24.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | trans | -71.9 | 146.8 | -170.7 | 47.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 264 | L | 21.8 | Very low | 25.7 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | -173.1 | 155.3 | 114.2 | -99.9 | 155.8 | 0 | 0 | 0 | 114.5 | |||||
| 265 | H | 23.3 | Very low | 25.8 | Very low | 169 Ų | 169 | 139 Ų | 139 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | 9.9 | 126 | 174.8 | -66.8 | -47.1 | 0 | 0 | 0 | 123.1 | ||||
| 266 | S | 23.8 | Very low | 25.9 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -93.6 | 136.3 | 146.4 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | P | 25.9 | Very low | 26.2 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -108.8 | 98.6 | 174.6 | 36.4 | -27.8 | 0 | 0 | 0 | 113.8 | ||||
| 268 | E | 28.3 | Very low | 26.5 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -126.2 | 163.9 | 147.7 | -90.2 | -158.6 | 167.4 | 0 | 0 | 107.6 | ||||
| 269 | P | 41.9 | Very low | 26.7 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -122.9 | -152.8 | -2.5 | 39.9 | -23.6 | 0 | 0 | 0 | 110.9 | ||||
| 270 | Q | 23.5 | Very low | 27 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | -178.1 | 106.5 | 123.7 | -90.3 | -91.6 | -24.3 | 0 | 0 | 113.2 | |||||
| 271 | H | 27.6 | Very low | 27.2 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 57.3 | 169.6 | 150.3 | -65.1 | -96.6 | 0 | 0 | 0 | 118.6 | ||||
| 272 | S | 27 | Very low | 26.9 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | -153.7 | 160.7 | 12 | 43.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 273 | L | 27.3 | Very low | 27.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | cis | -165 | 156.6 | -1.3 | -114.5 | 166.5 | 0 | 0 | 0 | 108.9 | N275 | L273-N275 WeakPolarHBondContact CD2-OD1 3.34Š| ||
| 274 | I | 25.3 | Very low | 27.7 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -165.2 | 132.7 | 125.6 | -95.7 | 160.4 | 0 | 0 | 0 | 106.2 | |||||
| 275 | N | 24.2 | Very low | 28 | Very low | 129 Ų | 129 | 140 Ų | 140 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | -86.9 | 140.4 | -171.3 | -68.7 | -26.7 | 0 | 0 | 0 | 113.1 | L273 | L273-N275 WeakPolarHBondContact CD2-OD1 3.34Š| ||
| 276 | S | 26.9 | Very low | 28.1 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | -156.3 | 121.9 | 123.2 | -161.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 277 | T | 27.9 | Very low | 28.4 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | -88.2 | 134.2 | -174.9 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 278 | V | 28.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -139.1 | 99.7 | 154.5 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | T280 | V278-T280 PolarHBondContact O-N 3.39Š| ||
| 279 | D | 26.6 | Very low | 28.5 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -65.9 | 125.1 | -177.9 | -67.2 | -80.2 | 0 | 0 | 0 | 112.6 | R281 | D279-R281 PolarHBondContact O-N 3.36Š| ||
| 280 | T | 30.1 | Very low | 27.9 | Very low | 146 Ų | 146 | 142 Ų | 142 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 72.5 | 168.6 | 46 | 0 | 0 | 0 | 0 | 110.5 | V278 A282 | V278-T280 PolarHBondContact O-N 3.39Å; T280-A282 PolarHBondContact O-N 3.19Å | ||
| 281 | R | 28 | Very low | 28.5 | Very low | 236 Ų | 236 | 139.1 Ų | 139.1 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -74.2 | 95.5 | 166.6 | -168.2 | 170.4 | -171.1 | 159.8 | 3 | 109.4 | D279 G283 | D279-R281 PolarHBondContact O-N 3.36Å; R281-G283 PolarHBondContact O-N 3.17Å | ||
| 282 | A | 30.9 | Very low | 28.9 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 125.9 | 162 | 0 | 0 | 0 | 0 | 0 | 108.6 | T280 | T280-A282 PolarHBondContact O-N 3.19Š| ||
| 283 | G | 28.2 | Very low | 29 | Very low | 64 Ų | 64 | 141 Ų | 141 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | trans | -154.3 | 123 | 176 | 0 | 0 | 0 | 0 | 0 | 107.5 | R281 M285 | R281-G283 PolarHBondContact O-N 3.17Å; G283-M285 PolarHBondContact O-N 2.95Å | ||
| 284 | E | 35.4 | Very low | 29.5 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 94% | 0.944 | 80% | 0.799 | S | S | * | * | trans | -65.2 | 121.9 | -177.4 | -65.5 | 168.6 | 106.5 | 0 | 0 | 110.1 | ||||
| 285 | M | 27 | Very low | 29.6 | Very low | 182 Ų | 182 | 143.7 Ų | 143.7 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -133.1 | 117.4 | 159.9 | -71 | -167.1 | 171.6 | 0 | 0 | 108.1 | G283 | G283-M285 PolarHBondContact O-N 2.95Š| ||
| 286 | T | 25.5 | Very low | 29.7 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138.7 | -178.6 | 38.4 | 0 | 0 | 0 | 0 | 112.3 | P288 | T286-P288 VanDerWaalsContact O-CD 3.3Å; T286-P288 WeakPolarHBondContact O-CD 3.4Å |
| 287 | I | 30.9 | Very low | 30.1 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.5 | 175.5 | -59.5 | 168.2 | 0 | 0 | 0 | 109.4 | ||
| 288 | P | 29.9 | Very low | 30.2 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 126.7 | 161.5 | -9 | 28 | 0 | 0 | 0 | 108.7 | T286 | T286-P288 VanDerWaalsContact O-CD 3.3Å; T286-P288 WeakPolarHBondContact O-CD 3.4Å |
| 289 | H | 26.2 | Very low | 30.5 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 156.6 | -177.6 | -146.1 | -71 | 0 | 0 | 0 | 111 | ||
| 290 | M | 29.6 | Very low | 30.8 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 72 | 167.4 | 167.4 | -54.9 | -55 | -166.5 | 0 | 0 | 116.9 | ||||
| 291 | P | 36.2 | Very low | 30.9 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 63% | 0.63 | 81% | 0.808 | S | S | * | * | -139.1 | 147.4 | -56.3 | 38.5 | -23.9 | 0 | 0 | 0 | 115.3 | Y293 | P291-Y293 WeakPolarHBondContact O-CD2 3.48Š| |||
| 292 | G | 36.4 | Very low | 30.9 | Very low | 77 Ų | 77 | 138.6 Ų | 138.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 69.4 | -157 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 293 | Y | 27.6 | Very low | 31 | Very low | 220 Ų | 220 | 139.5 Ų | 139.5 | 86% | 0.863 | 81% | 0.808 | S | S | * | * | trans | 68 | 110.3 | -178.7 | -60.4 | -78.3 | 0 | 0 | 0 | 118.5 | P291 | P291-Y293 WeakPolarHBondContact O-CD2 3.48Š| ||
| 294 | L | 37.8 | Very low | 31.1 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -61.9 | 151.7 | 156.9 | -60.8 | 157 | 0 | 0 | 0 | 110.1 | ||||
| 295 | L | 27.5 | Very low | 31 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -161 | 146.5 | 149.6 | -110.3 | 161.8 | 0 | 0 | 0 | 111.7 | ||||
| 296 | S | 27.5 | Very low | 31 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 159.7 | -178.6 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 297 | P | 34.5 | Very low | 31.2 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 144.8 | 177 | 29.4 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 298 | P | 31 | Very low | 32.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 162.6 | 174.1 | 34.2 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 299 | P | 32.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 163.2 | -176.7 | 33 | -36.8 | 0 | 0 | 0 | 114.4 | ||
| 300 | L | 32.9 | Very low | 32.3 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 143.4 | 174.3 | -75.6 | 73.9 | 0 | 0 | 0 | 111.9 | ||
| 301 | P | 32.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86 | 160.5 | 164.7 | 35.4 | -33.8 | 0 | 0 | 0 | 112.6 | ||
| 302 | T | 28.4 | Very low | 31.9 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -91.7 | 178 | -176.8 | 39.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 303 | S | 33.9 | Very low | 31.9 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -79 | 146.9 | -162 | 54.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 304 | A | 28.9 | Very low | 32 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -144.2 | 141.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 305 | T | 33.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | -61.9 | 151.4 | -174.4 | 48.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 306 | G | 28.2 | Very low | 32.4 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 144.5 | 131.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 307 | R | 30 | Very low | 33.1 | Very low | 244 Ų | 244 | 136.9 Ų | 136.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -171.5 | 165 | 169.1 | -112.2 | -171.1 | -176.3 | -143.7 | 1.8 | 109.9 | ||||
| 308 | P | 50.4 | Low | 33.4 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 60% | 0.597 | 81% | 0.812 | S | S | * | * | cis | -134.3 | -179.6 | -7.3 | 41.1 | -24.8 | 0 | 0 | 0 | 115.6 | ||||
| 309 | N | 29.1 | Very low | 33.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | 68.2 | 144.8 | 158.5 | -74.5 | -10.4 | 0 | 0 | 0 | 118 | ||||
| 310 | L | 30.2 | Very low | 34.1 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | cis | -156.7 | 149.6 | 23.5 | -130.4 | 162.1 | 0 | 0 | 0 | 111.3 | ||||
| 311 | G | 29.9 | Very low | 34.8 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 61.5 | 116.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 312 | G | 26.8 | Very low | 35.4 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 162.2 | 139.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L314 | G312-L314 PolarHBondContact O-N 3.38Š| ||
| 313 | H | 37.5 | Very low | 36.9 | Very low | 204 Ų | 204 | 138.8 Ų | 138.8 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | trans | -76.1 | 116 | 176.7 | -81.5 | -89.9 | 0 | 0 | 0 | 111.8 | ||||
| 314 | L | 29.1 | Very low | 39 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -115.9 | 128.5 | 161.3 | -89.7 | 159.7 | 0 | 0 | 0 | 110 | G312 N316 | G312-L314 PolarHBondContact O-N 3.38Å; L314-N316 PolarHBondContact O-N 3Å | ||
| 315 | R | 40.9 | Very low | 41.4 | Very low | 243 Ų | 243 | 136.1 Ų | 136.1 | 92% | 0.917 | 73% | 0.73 | S | S | * | * | trans | -71.8 | 90.2 | 172.7 | -82.8 | -175.4 | 167.3 | -160.2 | -1 | 109.5 | S317 | R315-S317 VanDerWaalsContact C-N 3.25Å; R315-S317 PolarHBondContact O-N 2.98Å | ||
| 316 | N | 33.2 | Very low | 43.4 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 54% | 0.54 | 72% | 0.715 | S | S | . | * | trans | -74.6 | 83.9 | 160.4 | -92.9 | 78.4 | 0 | 0 | 0 | 109.7 | L314 D318 K319 | L314-N316 PolarHBondContact O-N 3Å; N316-D318 PolarHBondContact ND2-O 3.42Å; N316-D318 PolarHBondContact O-N 2.85Å; N316-D318 VanDerWaalsContact O-N 3.1Å; N316-K319 HydrophobicContact CB-CD 4.42Å; N316-K319 HydrophobicContact CB-CG 4.24Å | ||
| 317 | S | 40.7 | Very low | 45.8 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | trans | -73 | 26.8 | 155.8 | 54.1 | 0 | 0 | 0 | 0 | 112 | R315 | R315-S317 VanDerWaalsContact C-N 3.25Å; R315-S317 PolarHBondContact O-N 2.98Å | ||
| 318 | D | 42.7 | Very low | 47.8 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | -149.1 | 81.1 | -177 | -168.8 | -0.4 | 0 | 0 | 0 | 108.7 | N316 | N316-D318 PolarHBondContact ND2-O 3.42Å; N316-D318 PolarHBondContact O-N 2.85Å; N316-D318 VanDerWaalsContact O-N 3.1Å | ||
| 319 | K | 39.4 | Very low | 48.3 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | trans | -159.4 | 132.6 | 166.8 | -69.7 | -174.2 | -174.9 | 171.4 | 0 | 105.7 | N316 | N316-K319 HydrophobicContact CB-CD 4.42Å; N316-K319 HydrophobicContact CB-CG 4.24Å | ||
| 320 | S | 37.8 | Very low | 50.5 | Low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | cis | -153.8 | 166 | -7.7 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | Q322 | S320-Q322 PolarHBondContact O-N 3.28Š| ||
| 321 | L | 48.4 | Very low | 52.5 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | trans | -40.5 | 111.6 | 167.1 | -70.3 | 152.5 | 0 | 0 | 0 | 110.2 | W323 | L321-W323 VanDerWaalsContact C-N 3.26Å; L321-W323 PolarHBondContact O-N 2.89Å | ||
| 322 | Q | 44.3 | Very low | 54.7 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | trans | -77.7 | 80.3 | -178.8 | -173 | 170.1 | 60.1 | 0 | 0 | 109.4 | S320 Y324 | S320-Q322 PolarHBondContact O-N 3.28Å; Q322-Y324 HydrophobicContact CB-CE2 4.36Å; Q322-Y324 HydrophobicContact CG-CD2 4.49Å; Q322-Y324 HydrophobicContact CG-CE2 4.01Å; Q322-Y324 WeakPolarHBondContact O-CD2 3.39Å; Q322-Y324 WeakPolarHBondContact O-CE2 3.34Å; Q322-Y324 PolarHBondContact O-N 3.46Å; Q322-Y324 PolarHBondContact OE1-OH 2.81Å | ||
| 323 | W | 61.1 | Low | 57.1 | Low | 186 Ų | 186 | 123.4 Ų | 123.4 | 71% | 0.705 | 62% | 0.618 | S | S | * | * | trans | -62.4 | 107.5 | 177.2 | -72.1 | 92.5 | 0 | 0 | 0 | 110.6 | L321 | L321-W323 VanDerWaalsContact C-N 3.26Å; L321-W323 PolarHBondContact O-N 2.89Å | ||
| 324 | Y | 77.1 | Confident | 59.4 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 45% | 0.447 | 58% | 0.581 | S | S | . | * | trans | -78 | 121.1 | 175.1 | -77.3 | -94.9 | 0 | 0 | 0 | 110 | Q322 Q326 V333 R335 | Q322-Y324 HydrophobicContact CB-CE2 4.36Å; Q322-Y324 HydrophobicContact CG-CD2 4.49Å; Q322-Y324 HydrophobicContact CG-CE2 4.01Å; Q322-Y324 WeakPolarHBondContact O-CD2 3.39Å; Q322-Y324 WeakPolarHBondContact O-CE2 3.34Å; Q322-Y324 PolarHBondContact O-N 3.46Å; Q322-Y324 PolarHBondContact OE1-OH 2.81Å; Y324-Q326 PolarHBondContact O-N 3.05Å; Y324-V333 HydrophobicContact CD1-CG1 3.84Å; Y324-V333 HydrophobicContact CG-CG1 4.22Å; Y324-R335 HydrophobicContact CD1-CG 3.94Å; Y324-R335 HydrophobicContact CE1-CG 3.39Å; Y324-R335 PolarHBondContact OH-NE 3.41Å; Y324-R335 PolarHBondContact OH-NH2 3.16Å; Y324-R335 VanDerWaalsContact OH-NH2 3.12Å | ||
| 325 | H | 78.9 | Confident | 61.8 | Low | 53 Ų | 53 | 116 Ų | 116 | 25% | 0.245 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.2 | 103.3 | 177.1 | -53.3 | -66.4 | 0 | 0 | 0 | 110.3 | F334 L337 Y340 | H325-F334 PolarHBondContact N-O 3.47Å; H325-F334 PolarHBondContact O-N 3.34Å; H325-L337 WeakPolarHBondContact NE2-CA 3.31Å; H325-Y340 HydrophobicContact CB-CD1 3.74Å; H325-Y340 HydrophobicContact CB-CD2 3.51Å; H325-Y340 HydrophobicContact CB-CE1 4.2Å; H325-Y340 HydrophobicContact CB-CE2 4Å; H325-Y340 HydrophobicContact CB-CG 3.36Å; H325-Y340 AromaticContact CG-CG 4Å |
| 326 | Q | 76.6 | Confident | 63.7 | Low | 126 Ų | 126 | 110.1 Ų | 110.1 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 137.2 | 173.4 | -176.5 | 167.3 | 51.5 | 0 | 0 | 110.8 | Y324 V333 | Y324-Q326 PolarHBondContact O-N 3.05Å; Q326-V333 HydrophobicContact CB-CG1 4.45Å; Q326-V333 HydrophobicContact CB-CG2 4.19Å; Q326-V333 HydrophobicContact CG-CG2 4.02Å |
| 327 | C | 78.1 | Confident | 65.9 | Low | 6 Ų | 6 | 110.7 Ų | 110.7 | 4% | 0.041 | 56% | 0.557 | C | S | . | * | trans | -82.3 | 130.1 | 177.5 | -173.7 | 0 | 0 | 0 | 0 | 112 | K329 C330 R332 Y340 H347 | C327-K329 PolarHBondContact O-N 3.37Å; C327-K329 PolarHBondContact SG-N 2.85Å; C327-K329 VanDerWaalsContact SG-N 3.44Å; C327-C330 WeakPolarHBondContact CB-O 3.45Å; C327-R332 PolarHBondContact N-O 2.84Å; C327-Y340 HydrophobicContact CB-CE2 4.27Å; C327-H347 VanDerWaalsContact SG-CD2 3.51Å; C327-H347 PolarHBondContact SG-NE2 3.02Å; C327-H347 VanDerWaalsContact SG-NE2 3.36Å | ||
| 328 | P | 71.1 | Confident | 67.6 | Low | 114 Ų | 114 | 111.7 Ų | 111.7 | 74% | 0.74 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -73.5 | -10.2 | 176.3 | 29.9 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 329 | K | 62.4 | Low | 69.3 | Low | 142 Ų | 142 | 108.4 Ų | 108.4 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -101.9 | -17.4 | -179 | -73 | 179.4 | 167.6 | -173.2 | 0 | 114.5 | C327 H347 | C327-K329 PolarHBondContact O-N 3.37Å; C327-K329 PolarHBondContact SG-N 2.85Å; C327-K329 VanDerWaalsContact SG-N 3.44Å; K329-H347 WeakPolarHBondContact CB-CE1 3.43Å; K329-H347 WeakPolarHBondContact CB-ND1 3.35Å; K329-H347 HydrophobicContact CD-CB 3.6Å; K329-H347 PolarHBondContact NZ-O 3.05Å |
| 330 | C | 73.5 | Confident | 71.1 | Confident | 45 Ų | 45 | 102.2 Ų | 102.2 | 30% | 0.304 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -157 | 152.2 | 168.9 | 74.9 | 0 | 0 | 0 | 0 | 109.8 | C327 R332 H343 | C327-C330 WeakPolarHBondContact CB-O 3.45Å; C330-R332 PolarHBondContact O-N 2.94Å; C330-H343 PolarHBondContact SG-CE1 3.34Å; C330-H343 PolarHBondContact SG-NE2 3.29Å |
| 331 | A | 73.5 | Confident | 73 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 76% | 0.76 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -68.1 | 16.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 332 | R | 76.5 | Confident | 74.2 | Confident | 160 Ų | 160 | 95.6 Ų | 95.6 | 60% | 0.604 | 47% | 0.465 | S | S | * | . | trans | -75.6 | 144.3 | 175.7 | -67.4 | -174.1 | 178 | -171.1 | -0.7 | 111.5 | C327 C330 F334 | C327-R332 PolarHBondContact N-O 2.84Å; C330-R332 PolarHBondContact O-N 2.94Å; R332-F334 HydrophobicContact CB-CE2 3.59Å; R332-F334 HydrophobicContact CB-CZ 3.8Å | ||
| 333 | V | 77.3 | Confident | 75.8 | Confident | 73 Ų | 73 | 91.1 Ų | 91.1 | 44% | 0.442 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.5 | -177.7 | -169 | 0 | 0 | 0 | 0 | 109.3 | Y324 Q326 | Y324-V333 HydrophobicContact CD1-CG1 3.84Å; Y324-V333 HydrophobicContact CG-CG1 4.22Å; Q326-V333 HydrophobicContact CB-CG1 4.45Å; Q326-V333 HydrophobicContact CB-CG2 4.19Å; Q326-V333 HydrophobicContact CG-CG2 4.02Å |
| 334 | F | 84.2 | Confident | 76.4 | Confident | 39 Ų | 39 | 85.2 Ų | 85.2 | 17% | 0.171 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.9 | -171.4 | -61.2 | -93.4 | 0 | 0 | 0 | 111.5 | H325 R332 Q336 N339 Y340 H343 | H325-F334 PolarHBondContact N-O 3.47Å; H325-F334 PolarHBondContact O-N 3.34Å; R332-F334 HydrophobicContact CB-CE2 3.59Å; R332-F334 HydrophobicContact CB-CZ 3.8Å; F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.75Å; F334-N339 HydrophobicContact CD1-CB 4.13Å; F334-Y340 HydrophobicContact CD2-CD2 4.03Å; F334-H343 HydrophobicContact CE1-CB 3.95Å; F334-H343 HydrophobicContact CE2-CB 3.96Å; F334-H343 AromaticContact CE2-CD2 3.19Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.2Å; F334-H343 AromaticContact CE2-CG 3.53Å; F334-H343 AromaticContact CE2-NE2 3.72Å; F334-H343 HydrophobicContact CZ-CB 3.57Å; F334-H343 AromaticContact CZ-CD2 3.44Å; F334-H343 VanDerWaalsContact CZ-CD2 3.44Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.38Å; F334-H343 AromaticContact CZ-CG 3.25Å; F334-H343 AromaticContact CZ-ND1 3.65Å; F334-H343 AromaticContact CZ-NE2 3.91Å |
| 335 | R | 80.5 | Confident | 76.2 | Confident | 169 Ų | 169 | 85.8 Ų | 85.8 | 64% | 0.638 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -80.2 | -5.4 | 177.8 | -78.2 | 179.6 | 170 | 154.1 | 1.1 | 114.8 | Y324 | Y324-R335 HydrophobicContact CD1-CG 3.94Å; Y324-R335 HydrophobicContact CE1-CG 3.39Å; Y324-R335 PolarHBondContact OH-NE 3.41Å; Y324-R335 PolarHBondContact OH-NH2 3.16Å; Y324-R335 VanDerWaalsContact OH-NH2 3.12Å |
| 336 | Q | 79.8 | Confident | 75.5 | Confident | 119 Ų | 119 | 87.1 Ų | 87.1 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -139.8 | 134.1 | -173.1 | -72.6 | 172.3 | -23.3 | 0 | 0 | 110.3 | F334 E338 N339 Y340 | F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.75Å; Q336-E338 VanDerWaalsContact C-N 3.3Å; Q336-E338 PolarHBondContact O-N 2.81Å; Q336-N339 HydrophobicContact CB-CB 4.38Å; Q336-N339 PolarHBondContact O-N 2.88Å; Q336-N339 PolarHBondContact OE1-ND2 2.82Å; Q336-Y340 PolarHBondContact O-N 3.16Å |
| 337 | L | 80.9 | Confident | 75 | Confident | 113 Ų | 113 | 83.4 Ų | 83.4 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.1 | -35.4 | -177.5 | -176.7 | 62.4 | 0 | 0 | 0 | 112.8 | H325 Y340 A341 | H325-L337 WeakPolarHBondContact NE2-CA 3.31Å; L337-Y340 HydrophobicContact CD1-CD1 4.22Å; L337-Y340 WeakPolarHBondContact O-CB 3.41Å; L337-Y340 PolarHBondContact O-N 3.07Å; L337-A341 WeakPolarHBondContact O-CB 3.04Å; L337-A341 PolarHBondContact O-N 2.97Å |
| 338 | E | 76.3 | Confident | 74.4 | Confident | 143 Ų | 143 | 91.2 Ų | 91.2 | 67% | 0.668 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.2 | -46 | 178.2 | 179.9 | 166.6 | -158.2 | 0 | 0 | 112.2 | Q336 Y340 A341 N342 | Q336-E338 VanDerWaalsContact C-N 3.3Å; Q336-E338 PolarHBondContact O-N 2.81Å; E338-Y340 VanDerWaalsContact C-N 3.29Å; E338-Y340 PolarHBondContact O-N 3.36Å; E338-A341 PolarHBondContact O-N 3.31Å; E338-A341 VanDerWaalsContact O-N 3.16Å; E338-N342 WeakPolarHBondContact O-CB 3.46Å; E338-N342 PolarHBondContact O-N 3.27Å; E338-N342 PolarHBondContact O-ND2 2.81Å |
| 339 | N | 77.4 | Confident | 74.5 | Confident | 64 Ų | 64 | 88.7 Ų | 88.7 | 34% | 0.342 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -36 | 175.3 | -74.9 | -26.1 | 0 | 0 | 0 | 111.7 | F334 Q336 H343 | F334-N339 HydrophobicContact CD1-CB 4.13Å; Q336-N339 HydrophobicContact CB-CB 4.38Å; Q336-N339 PolarHBondContact O-N 2.88Å; Q336-N339 PolarHBondContact OE1-ND2 2.82Å; N339-H343 VanDerWaalsContact O-CB 3.23Å; N339-H343 WeakPolarHBondContact O-CB 3.42Å; N339-H343 PolarHBondContact O-N 3.4Å |
| 340 | Y | 78.4 | Confident | 75.3 | Confident | 44 Ų | 44 | 85.6 Ų | 85.6 | 17% | 0.173 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 170.1 | 179.4 | -116 | 0 | 0 | 0 | 112.5 | H325 C327 F334 Q336 L337 E338 H343 L344 | H325-Y340 HydrophobicContact CB-CD1 3.74Å; H325-Y340 HydrophobicContact CB-CD2 3.51Å; H325-Y340 HydrophobicContact CB-CE1 4.2Å; H325-Y340 HydrophobicContact CB-CE2 4Å; H325-Y340 HydrophobicContact CB-CG 3.36Å; H325-Y340 AromaticContact CG-CG 4Å; C327-Y340 HydrophobicContact CB-CE2 4.27Å; F334-Y340 HydrophobicContact CD2-CD2 4.03Å; Q336-Y340 PolarHBondContact O-N 3.16Å; L337-Y340 HydrophobicContact CD1-CD1 4.22Å; L337-Y340 WeakPolarHBondContact O-CB 3.41Å; L337-Y340 PolarHBondContact O-N 3.07Å; E338-Y340 VanDerWaalsContact C-N 3.29Å; E338-Y340 PolarHBondContact O-N 3.36Å; Y340-H343 WeakPolarHBondContact O-CB 3.35Å; Y340-H343 PolarHBondContact O-N 3.23Å; Y340-L344 HydrophobicContact CD1-CD1 4.04Å; Y340-L344 HydrophobicContact CE1-CD1 3.49Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.49Å; Y340-L344 HydrophobicContact CE1-CG 4.22Å; Y340-L344 HydrophobicContact CE2-CD1 4.28Å; Y340-L344 HydrophobicContact CE2-CD2 4.3Å; Y340-L344 HydrophobicContact CE2-CG 4.16Å; Y340-L344 WeakPolarHBondContact O-CG 3.43Å; Y340-L344 PolarHBondContact O-N 2.92Å |
| 341 | A | 76.8 | Confident | 75.5 | Confident | 38 Ų | 38 | 87.3 Ų | 87.3 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L337 E338 L344 K345 | L337-A341 WeakPolarHBondContact O-CB 3.04Å; L337-A341 PolarHBondContact O-N 2.97Å; E338-A341 PolarHBondContact O-N 3.31Å; E338-A341 VanDerWaalsContact O-N 3.16Å; A341-L344 PolarHBondContact O-N 3.2Å; A341-K345 WeakPolarHBondContact O-CG 3.34Å; A341-K345 PolarHBondContact O-N 3.18Å |
| 342 | N | 74.4 | Confident | 75.8 | Confident | 58 Ų | 58 | 83 Ų | 83 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 174.8 | -69.6 | -24.9 | 0 | 0 | 0 | 111.7 | E338 K345 M346 | E338-N342 WeakPolarHBondContact O-CB 3.46Å; E338-N342 PolarHBondContact O-N 3.27Å; E338-N342 PolarHBondContact O-ND2 2.81Å; N342-K345 WeakPolarHBondContact O-CB 3.45Å; N342-K345 PolarHBondContact O-N 2.83Å; N342-K345 WeakPolarHBondContact OD1-CE 3.47Å; N342-K345 PolarHBondContact OD1-NZ 2.94Å; N342-M346 PolarHBondContact O-N 2.82Å |
| 343 | H | 77.5 | Confident | 75.7 | Confident | 15 Ų | 15 | 83 Ų | 83 | 7% | 0.069 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 170.2 | 178.4 | 62.8 | 0 | 0 | 0 | 112.9 | C330 F334 N339 Y340 K345 M346 H347 | C330-H343 PolarHBondContact SG-CE1 3.34Å; C330-H343 PolarHBondContact SG-NE2 3.29Å; F334-H343 HydrophobicContact CE1-CB 3.95Å; F334-H343 HydrophobicContact CE2-CB 3.96Å; F334-H343 AromaticContact CE2-CD2 3.19Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.2Å; F334-H343 AromaticContact CE2-CG 3.53Å; F334-H343 AromaticContact CE2-NE2 3.72Å; F334-H343 HydrophobicContact CZ-CB 3.57Å; F334-H343 AromaticContact CZ-CD2 3.44Å; F334-H343 VanDerWaalsContact CZ-CD2 3.44Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.38Å; F334-H343 AromaticContact CZ-CG 3.25Å; F334-H343 AromaticContact CZ-ND1 3.65Å; F334-H343 AromaticContact CZ-NE2 3.91Å; N339-H343 VanDerWaalsContact O-CB 3.23Å; N339-H343 WeakPolarHBondContact O-CB 3.42Å; N339-H343 PolarHBondContact O-N 3.4Å; Y340-H343 WeakPolarHBondContact O-CB 3.35Å; Y340-H343 PolarHBondContact O-N 3.23Å; H343-K345 VanDerWaalsContact C-N 3.35Å; H343-M346 WeakPolarHBondContact O-CA 3.37Å; H343-M346 WeakPolarHBondContact O-CB 3.24Å; H343-M346 PolarHBondContact O-N 3.45Å; H343-H347 AromaticContact CD2-CD2 3.83Å; H343-H347 AromaticContact CD2-NE2 3.85Å; H343-H347 AromaticContact CE1-CD2 3.66Å; H343-H347 AromaticContact CE1-NE2 3.2Å; H343-H347 PolarHBondContact CE1-NE2 3.45Å; H343-H347 AromaticContact NE2-CD2 3.43Å; H343-H347 PolarHBondContact NE2-CD2 2.9Å; H343-H347 AromaticContact NE2-NE2 2.99Å; H343-H347 PolarHBondContact NE2-NE2 3.13Å; H343-H347 PolarHBondContact O-CD2 3.19Å; H343-H347 VanDerWaalsContact O-CD2 3.3Å; H343-H347 PolarHBondContact O-N 3.04Å |
| 344 | L | 73 | Confident | 75.7 | Confident | 62 Ų | 62 | 84.9 Ų | 84.9 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | 172.4 | -72.1 | -179 | 0 | 0 | 0 | 112.5 | Y340 A341 M346 H347 K348 | Y340-L344 HydrophobicContact CD1-CD1 4.04Å; Y340-L344 HydrophobicContact CE1-CD1 3.49Å; Y340-L344 VanDerWaalsContact CE1-CD1 3.49Å; Y340-L344 HydrophobicContact CE1-CG 4.22Å; Y340-L344 HydrophobicContact CE2-CD1 4.28Å; Y340-L344 HydrophobicContact CE2-CD2 4.3Å; Y340-L344 HydrophobicContact CE2-CG 4.16Å; Y340-L344 WeakPolarHBondContact O-CG 3.43Å; Y340-L344 PolarHBondContact O-N 2.92Å; A341-L344 PolarHBondContact O-N 3.2Å; L344-M346 VanDerWaalsContact C-N 3.29Å; L344-H347 CarbonylContact O-C 3.47Å; L344-H347 WeakPolarHBondContact O-CA 3.35Å; L344-H347 WeakPolarHBondContact O-CB 3.36Å; L344-H347 PolarHBondContact O-N 3.42Å; L344-H347 VanDerWaalsContact O-N 3.16Å; L344-K348 PolarHBondContact O-N 3.41Å |
| 345 | K | 72.2 | Confident | 75.5 | Confident | 127 Ų | 127 | 85.5 Ų | 85.5 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.9 | -37.4 | 167.4 | -66.1 | 168.9 | -161.5 | 167 | 0 | 110.9 | A341 N342 H343 H347 K348 L349 | A341-K345 WeakPolarHBondContact O-CG 3.34Å; A341-K345 PolarHBondContact O-N 3.18Å; N342-K345 WeakPolarHBondContact O-CB 3.45Å; N342-K345 PolarHBondContact O-N 2.83Å; N342-K345 WeakPolarHBondContact OD1-CE 3.47Å; N342-K345 PolarHBondContact OD1-NZ 2.94Å; H343-K345 VanDerWaalsContact C-N 3.35Å; K345-H347 VanDerWaalsContact C-N 3.28Å; K345-H347 PolarHBondContact O-N 3.25Å; K345-K348 CarbonylContact O-C 3.55Å; K345-K348 WeakPolarHBondContact O-CA 3.48Å; K345-K348 VanDerWaalsContact O-CB 3.24Å; K345-K348 WeakPolarHBondContact O-CB 3.34Å; K345-K348 PolarHBondContact O-N 3.01Å; K345-L349 PolarHBondContact O-N 2.85Å |
| 346 | M | 65.7 | Low | 75.2 | Confident | 81 Ų | 81 | 79.4 Ų | 79.4 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -34.7 | 172.7 | -134.4 | -157.4 | 94.8 | 0 | 0 | 112.4 | N342 H343 L344 K348 L349 M351 | N342-M346 PolarHBondContact O-N 2.82Å; H343-M346 WeakPolarHBondContact O-CA 3.37Å; H343-M346 WeakPolarHBondContact O-CB 3.24Å; H343-M346 PolarHBondContact O-N 3.45Å; L344-M346 VanDerWaalsContact C-N 3.29Å; M346-K348 PolarHBondContact O-N 3.18Å; M346-L349 HydrophobicContact CG-CD1 4.41Å; M346-L349 WeakPolarHBondContact O-CB 3.46Å; M346-L349 PolarHBondContact O-N 3.05Å; M346-L349 VanDerWaalsContact O-N 3.07Å; M346-M351 HydrophobicContact CE-CE 3.61Å |
| 347 | H | 65.3 | Low | 75.1 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 22% | 0.222 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 1 | 169.7 | -75.8 | -74.3 | 0 | 0 | 0 | 115.1 | C327 K329 H343 L344 K345 | C327-H347 VanDerWaalsContact SG-CD2 3.51Å; C327-H347 PolarHBondContact SG-NE2 3.02Å; C327-H347 VanDerWaalsContact SG-NE2 3.36Å; K329-H347 WeakPolarHBondContact CB-CE1 3.43Å; K329-H347 WeakPolarHBondContact CB-ND1 3.35Å; K329-H347 HydrophobicContact CD-CB 3.6Å; K329-H347 PolarHBondContact NZ-O 3.05Å; H343-H347 AromaticContact CD2-CD2 3.83Å; H343-H347 AromaticContact CD2-NE2 3.85Å; H343-H347 AromaticContact CE1-CD2 3.66Å; H343-H347 AromaticContact CE1-NE2 3.2Å; H343-H347 PolarHBondContact CE1-NE2 3.45Å; H343-H347 AromaticContact NE2-CD2 3.43Å; H343-H347 PolarHBondContact NE2-CD2 2.9Å; H343-H347 AromaticContact NE2-NE2 2.99Å; H343-H347 PolarHBondContact NE2-NE2 3.13Å; H343-H347 PolarHBondContact O-CD2 3.19Å; H343-H347 VanDerWaalsContact O-CD2 3.3Å; H343-H347 PolarHBondContact O-N 3.04Å; L344-H347 CarbonylContact O-C 3.47Å; L344-H347 WeakPolarHBondContact O-CA 3.35Å; L344-H347 WeakPolarHBondContact O-CB 3.36Å; L344-H347 PolarHBondContact O-N 3.42Å; L344-H347 VanDerWaalsContact O-N 3.16Å; K345-H347 VanDerWaalsContact C-N 3.28Å; K345-H347 PolarHBondContact O-N 3.25Å |
| 348 | K | 66.5 | Low | 75.1 | Confident | 169 Ų | 169 | 77.5 Ų | 77.5 | 74% | 0.735 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -8.9 | 165.4 | -162 | 179.6 | 178.8 | -179.3 | 0 | 111.2 | L344 K345 M346 | L344-K348 PolarHBondContact O-N 3.41Å; K345-K348 CarbonylContact O-C 3.55Å; K345-K348 WeakPolarHBondContact O-CA 3.48Å; K345-K348 VanDerWaalsContact O-CB 3.24Å; K345-K348 WeakPolarHBondContact O-CB 3.34Å; K345-K348 PolarHBondContact O-N 3.01Å; M346-K348 PolarHBondContact O-N 3.18Å |
| 349 | L | 73.4 | Confident | 75.4 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 32% | 0.319 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -88.6 | 151.8 | 166.5 | -54.6 | 178.4 | 0 | 0 | 0 | 110.1 | K345 M346 F359 T360 | K345-L349 PolarHBondContact O-N 2.85Å; M346-L349 HydrophobicContact CG-CD1 4.41Å; M346-L349 WeakPolarHBondContact O-CB 3.46Å; M346-L349 PolarHBondContact O-N 3.05Å; M346-L349 VanDerWaalsContact O-N 3.07Å; L349-F359 CarbonylContact C-O 3.59Å; L349-F359 WeakPolarHBondContact CA-O 3.24Å; L349-T360 HydrophobicContact CD2-CG2 4Å |
| 350 | F | 77.5 | Confident | 75.4 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 34% | 0.342 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 110 | -179.7 | -60.5 | -90.1 | 0 | 0 | 0 | 108.4 | F359 K362 L365 | F350-F359 PolarHBondContact N-O 3.26Å; F350-F359 WeakPolarHBondContact O-CD2 3.22Å; F350-F359 PolarHBondContact O-N 3.49Å; F350-K362 HydrophobicContact CD1-CB 3.93Å; F350-K362 HydrophobicContact CD1-CG 4.12Å; F350-K362 HydrophobicContact CD2-CB 4.46Å; F350-K362 VanDerWaalsContact CD2-N 3.33Å; F350-K362 HydrophobicContact CE1-CB 3.68Å; F350-K362 HydrophobicContact CE1-CD 4.49Å; F350-K362 HydrophobicContact CE1-CG 4.02Å; F350-K362 HydrophobicContact CE2-CB 4.25Å; F350-K362 HydrophobicContact CG-CB 4.32Å; F350-K362 HydrophobicContact CZ-CB 3.85Å; F350-L365 HydrophobicContact CB-CB 3.81Å; F350-L365 HydrophobicContact CB-CD2 3.75Å; F350-L365 HydrophobicContact CB-CG 4.4Å |
| 351 | M | 77.6 | Confident | 75.3 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.9 | -176.9 | -179.7 | 175.8 | -80 | 0 | 0 | 112 | M346 T358 L365 | M346-M351 HydrophobicContact CE-CE 3.61Å; M351-T358 HydrophobicContact CB-CG2 4.31Å; M351-T358 HydrophobicContact CE-CG2 3.75Å; M351-T358 HydrophobicContact CG-CG2 4.45Å; M351-L365 WeakPolarHBondContact O-CD2 3.46Å |
| 352 | C | 80.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 82.3 Ų | 82.3 | 1% | 0.007 | 42% | 0.417 | C | S | . | . | trans | -77.6 | 118.9 | 164 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | L354 G356 K357 F359 L365 H368 M369 | C352-L354 PolarHBondContact O-N 2.93Å; C352-L354 PolarHBondContact SG-N 3.23Å; C352-G356 VanDerWaalsContact O-CA 3.27Å; C352-G356 WeakPolarHBondContact O-CA 3.26Å; C352-G356 PolarHBondContact O-N 3.43Å; C352-K357 PolarHBondContact N-O 2.74Å; C352-F359 HydrophobicContact CB-CE2 4.32Å; C352-L365 HydrophobicContact CB-CD1 3.71Å; C352-H368 PolarHBondContact SG-NE2 3.35Å; C352-M369 HydrophobicContact CB-SD 4.43Å | ||
| 353 | L | 75.8 | Confident | 75.4 | Confident | 159 Ų | 159 | 81.5 Ų | 81.5 | 83% | 0.832 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.7 | 179.4 | -58.2 | 179.8 | 0 | 0 | 0 | 113.3 | ||
| 354 | L | 75.3 | Confident | 75.6 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -20.7 | -178.7 | -60.3 | 175.7 | 0 | 0 | 0 | 114.1 | C352 M369 H372 | C352-L354 PolarHBondContact O-N 2.93Å; C352-L354 PolarHBondContact SG-N 3.23Å; L354-M369 HydrophobicContact CD1-CE 3.74Å; L354-M369 HydrophobicContact CG-CE 4.35Å; L354-H372 HydrophobicContact CD1-CB 3.57Å |
| 355 | C | 81.4 | Confident | 76 | Confident | 52 Ų | 52 | 81 Ų | 81 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.5 | 11.6 | 179.5 | 69.8 | 0 | 0 | 0 | 0 | 115.1 | K357 H368 H372 | C355-K357 PolarHBondContact O-N 2.88Å; C355-H368 PolarHBondContact SG-NE2 2.93Å; C355-H372 PolarHBondContact SG-NE2 2.77Å; C355-H372 VanDerWaalsContact SG-NE2 3.37Å |
| 356 | G | 74.5 | Confident | 76.4 | Confident | 42 Ų | 42 | 81.3 Ų | 81.3 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | trans | 70.7 | -10.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C352 T358 | C352-G356 VanDerWaalsContact O-CA 3.27Å; C352-G356 WeakPolarHBondContact O-CA 3.26Å; C352-G356 PolarHBondContact O-N 3.43Å; G356-T358 PolarHBondContact O-N 3.25Å | ||
| 357 | K | 77.9 | Confident | 77.1 | Confident | 124 Ų | 124 | 79.5 Ų | 79.5 | 54% | 0.539 | 41% | 0.412 | S | S | . | . | trans | -61.3 | 130.8 | -175.7 | -68.7 | 178.7 | -175.3 | 174.3 | 0 | 111.9 | C352 C355 F359 | C352-K357 PolarHBondContact N-O 2.74Å; C355-K357 PolarHBondContact O-N 2.88Å; K357-F359 HydrophobicContact CB-CE2 3.76Å; K357-F359 HydrophobicContact CB-CZ 3.92Å; K357-F359 WeakPolarHBondContact O-CE2 3.46Å | ||
| 358 | T | 80.9 | Confident | 78 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.6 | -178.8 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | M351 G356 | M351-T358 HydrophobicContact CB-CG2 4.31Å; M351-T358 HydrophobicContact CE-CG2 3.75Å; M351-T358 HydrophobicContact CG-CG2 4.45Å; G356-T358 PolarHBondContact O-N 3.25Å |
| 359 | F | 80.9 | Confident | 78.7 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 19% | 0.193 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.2 | -178.2 | -60.1 | -88.9 | 0 | 0 | 0 | 111.2 | L349 F350 C352 K357 Q361 N364 L365 H368 | L349-F359 CarbonylContact C-O 3.59Å; L349-F359 WeakPolarHBondContact CA-O 3.24Å; F350-F359 PolarHBondContact N-O 3.26Å; F350-F359 WeakPolarHBondContact O-CD2 3.22Å; F350-F359 PolarHBondContact O-N 3.49Å; C352-F359 HydrophobicContact CB-CE2 4.32Å; K357-F359 HydrophobicContact CB-CE2 3.76Å; K357-F359 HydrophobicContact CB-CZ 3.92Å; K357-F359 WeakPolarHBondContact O-CE2 3.46Å; F359-Q361 VanDerWaalsContact C-N 3.29Å; F359-Q361 PolarHBondContact O-N 2.9Å; F359-N364 HydrophobicContact CB-CB 4.1Å; F359-N364 HydrophobicContact CD1-CB 4.02Å; F359-N364 HydrophobicContact CG-CB 4.37Å; F359-L365 HydrophobicContact CB-CB 4.3Å; F359-L365 HydrophobicContact CD2-CB 4Å; F359-L365 HydrophobicContact CD2-CD1 3.88Å; F359-L365 HydrophobicContact CE2-CD1 4.08Å; F359-L365 HydrophobicContact CG-CB 4.32Å; F359-H368 HydrophobicContact CE1-CB 3.94Å; F359-H368 HydrophobicContact CE2-CB 4.06Å; F359-H368 AromaticContact CE2-CD2 3.22Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.49Å; F359-H368 AromaticContact CE2-CG 3.77Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.56Å; F359-H368 AromaticContact CZ-CD2 3.24Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.41Å; F359-H368 AromaticContact CZ-CG 3.32Å; F359-H368 AromaticContact CZ-NE2 3.94Å |
| 360 | T | 77.9 | Confident | 79.3 | Confident | 105 Ų | 105 | 72.9 Ų | 72.9 | 64% | 0.644 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -74.5 | -15.1 | 179.6 | 49.2 | 0 | 0 | 0 | 0 | 114.3 | L349 | L349-T360 HydrophobicContact CD2-CG2 4Š|
| 361 | Q | 76.4 | Confident | 79.6 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -139.3 | 145.8 | -175.4 | -64.3 | 174.5 | -16.3 | 0 | 0 | 110.8 | F359 G363 N364 L365 | F359-Q361 VanDerWaalsContact C-N 3.29Å; F359-Q361 PolarHBondContact O-N 2.9Å; Q361-G363 VanDerWaalsContact C-N 3.35Å; Q361-G363 PolarHBondContact O-N 3.34Å; Q361-N364 HydrophobicContact CB-CB 4.36Å; Q361-N364 PolarHBondContact O-N 2.86Å; Q361-N364 VanDerWaalsContact O-N 3.17Å; Q361-N364 PolarHBondContact OE1-ND2 3.22Å; Q361-L365 PolarHBondContact O-N 2.85Å |
| 362 | K | 73.3 | Confident | 79.7 | Confident | 155 Ų | 155 | 73.6 Ų | 73.6 | 67% | 0.674 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 178.5 | -168.9 | -176.5 | 176 | -170.7 | 0 | 112.1 | F350 N364 L365 H366 | F350-K362 HydrophobicContact CD1-CB 3.93Å; F350-K362 HydrophobicContact CD1-CG 4.12Å; F350-K362 HydrophobicContact CD2-CB 4.46Å; F350-K362 VanDerWaalsContact CD2-N 3.33Å; F350-K362 HydrophobicContact CE1-CB 3.68Å; F350-K362 HydrophobicContact CE1-CD 4.49Å; F350-K362 HydrophobicContact CE1-CG 4.02Å; F350-K362 HydrophobicContact CE2-CB 4.25Å; F350-K362 HydrophobicContact CG-CB 4.32Å; F350-K362 HydrophobicContact CZ-CB 3.85Å; K362-N364 VanDerWaalsContact C-N 3.29Å; K362-N364 PolarHBondContact O-N 3.05Å; K362-L365 PolarHBondContact O-N 3.02Å; K362-H366 PolarHBondContact O-N 3.24Å |
| 363 | G | 79.2 | Confident | 79.7 | Confident | 42 Ų | 42 | 76.6 Ų | 76.6 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q361 H366 R367 | Q361-G363 VanDerWaalsContact C-N 3.35Å; Q361-G363 PolarHBondContact O-N 3.34Å; G363-H366 PolarHBondContact O-N 3.24Å; G363-R367 WeakPolarHBondContact O-CB 3.41Å; G363-R367 PolarHBondContact O-N 3Å |
| 364 | N | 81.9 | Confident | 80 | Confident | 36 Ų | 36 | 71.5 Ų | 71.5 | 19% | 0.193 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 176.3 | -72.8 | -28.9 | 0 | 0 | 0 | 112.7 | F359 Q361 K362 R367 H368 | F359-N364 HydrophobicContact CB-CB 4.1Å; F359-N364 HydrophobicContact CD1-CB 4.02Å; F359-N364 HydrophobicContact CG-CB 4.37Å; Q361-N364 HydrophobicContact CB-CB 4.36Å; Q361-N364 PolarHBondContact O-N 2.86Å; Q361-N364 VanDerWaalsContact O-N 3.17Å; Q361-N364 PolarHBondContact OE1-ND2 3.22Å; K362-N364 VanDerWaalsContact C-N 3.29Å; K362-N364 PolarHBondContact O-N 3.05Å; N364-R367 PolarHBondContact OD1-NH2 3.38Å; N364-H368 WeakPolarHBondContact O-CB 3.4Å; N364-H368 PolarHBondContact O-N 3.29Å |
| 365 | L | 81.5 | Confident | 80.2 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 169.5 | 173.1 | 60.2 | 0 | 0 | 0 | 110.9 | F350 M351 C352 F359 Q361 K362 R367 H368 M369 | F350-L365 HydrophobicContact CB-CB 3.81Å; F350-L365 HydrophobicContact CB-CD2 3.75Å; F350-L365 HydrophobicContact CB-CG 4.4Å; M351-L365 WeakPolarHBondContact O-CD2 3.46Å; C352-L365 HydrophobicContact CB-CD1 3.71Å; F359-L365 HydrophobicContact CB-CB 4.3Å; F359-L365 HydrophobicContact CD2-CB 4Å; F359-L365 HydrophobicContact CD2-CD1 3.88Å; F359-L365 HydrophobicContact CE2-CD1 4.08Å; F359-L365 HydrophobicContact CG-CB 4.32Å; Q361-L365 PolarHBondContact O-N 2.85Å; K362-L365 PolarHBondContact O-N 3.02Å; L365-R367 PolarHBondContact O-N 3.02Å; L365-H368 CarbonylContact O-C 3.55Å; L365-H368 WeakPolarHBondContact O-CA 3.33Å; L365-H368 WeakPolarHBondContact O-CB 3.36Å; L365-H368 PolarHBondContact O-N 3.42Å; L365-M369 HydrophobicContact CD1-CG 4.12Å; L365-M369 HydrophobicContact CD1-SD 4.12Å; L365-M369 HydrophobicContact CG-CG 4.37Å; L365-M369 WeakPolarHBondContact O-CG 3.44Å; L365-M369 PolarHBondContact O-N 3.35Å |
| 366 | H | 80.3 | Confident | 80.4 | Confident | 133 Ų | 133 | 73.4 Ų | 73.4 | 62% | 0.616 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | -178.9 | -170.8 | 94.4 | 0 | 0 | 0 | 112 | K362 G363 H368 M369 R370 | K362-H366 PolarHBondContact O-N 3.24Å; G363-H366 PolarHBondContact O-N 3.24Å; H366-H368 VanDerWaalsContact C-N 3.27Å; H366-H368 PolarHBondContact O-N 3.43Å; H366-M369 PolarHBondContact O-N 2.81Å; H366-R370 PolarHBondContact O-N 2.95Å |
| 367 | R | 81.7 | Confident | 80.7 | Confident | 44 Ų | 44 | 75 Ų | 75 | 17% | 0.166 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.7 | -38.3 | 171.8 | 172.5 | 158.1 | 64.4 | 167.6 | -20.5 | 112.2 | G363 N364 L365 Q389 C458 | G363-R367 WeakPolarHBondContact O-CB 3.41Å; G363-R367 PolarHBondContact O-N 3Å; N364-R367 PolarHBondContact OD1-NH2 3.38Å; L365-R367 PolarHBondContact O-N 3.02Å; R367-Q389 HydrophobicContact CG-CG 4.42Å; R367-C458 PolarHBondContact NH2-O 3.17Å |
| 368 | H | 84.6 | Confident | 81.1 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73.3 | -35.8 | 175.2 | 165.9 | 55.9 | 0 | 0 | 0 | 113.4 | C352 C355 F359 N364 L365 H366 R370 V371 H372 | C352-H368 PolarHBondContact SG-NE2 3.35Å; C355-H368 PolarHBondContact SG-NE2 2.93Å; F359-H368 HydrophobicContact CE1-CB 3.94Å; F359-H368 HydrophobicContact CE2-CB 4.06Å; F359-H368 AromaticContact CE2-CD2 3.22Å; F359-H368 WeakPolarHBondContact CE2-CD2 3.49Å; F359-H368 AromaticContact CE2-CG 3.77Å; F359-H368 AromaticContact CE2-NE2 3.98Å; F359-H368 HydrophobicContact CZ-CB 3.56Å; F359-H368 AromaticContact CZ-CD2 3.24Å; F359-H368 WeakPolarHBondContact CZ-CD2 3.41Å; F359-H368 AromaticContact CZ-CG 3.32Å; F359-H368 AromaticContact CZ-NE2 3.94Å; N364-H368 WeakPolarHBondContact O-CB 3.4Å; N364-H368 PolarHBondContact O-N 3.29Å; L365-H368 CarbonylContact O-C 3.55Å; L365-H368 WeakPolarHBondContact O-CA 3.33Å; L365-H368 WeakPolarHBondContact O-CB 3.36Å; L365-H368 PolarHBondContact O-N 3.42Å; H366-H368 VanDerWaalsContact C-N 3.27Å; H366-H368 PolarHBondContact O-N 3.43Å; H368-R370 PolarHBondContact O-N 3.25Å; H368-V371 VanDerWaalsContact O-CB 3.26Å; H368-V371 WeakPolarHBondContact O-CB 3.2Å; H368-V371 WeakPolarHBondContact O-CG2 3.26Å; H368-V371 PolarHBondContact O-N 3.19Å; H368-H372 AromaticContact CE1-CD2 3.71Å; H368-H372 AromaticContact CE1-NE2 3.51Å; H368-H372 AromaticContact NE2-CD2 3.76Å; H368-H372 AromaticContact NE2-NE2 3.54Å |
| 369 | M | 81.1 | Confident | 81.4 | Confident | 63 Ų | 63 | 74 Ų | 74 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.3 | -29.6 | 176.6 | -68.5 | -57 | -64.9 | 0 | 0 | 112.6 | C352 L354 L365 H366 V371 H372 A373 | C352-M369 HydrophobicContact CB-SD 4.43Å; L354-M369 HydrophobicContact CD1-CE 3.74Å; L354-M369 HydrophobicContact CG-CE 4.35Å; L365-M369 HydrophobicContact CD1-CG 4.12Å; L365-M369 HydrophobicContact CD1-SD 4.12Å; L365-M369 HydrophobicContact CG-CG 4.37Å; L365-M369 WeakPolarHBondContact O-CG 3.44Å; L365-M369 PolarHBondContact O-N 3.35Å; H366-M369 PolarHBondContact O-N 2.81Å; M369-V371 PolarHBondContact O-N 3.48Å; M369-H372 PolarHBondContact O-N 3.33Å; M369-A373 PolarHBondContact O-N 3.39Å |
| 370 | R | 86 | Confident | 81.8 | Confident | 49 Ų | 49 | 72 Ų | 72 | 19% | 0.185 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.6 | -29.3 | 170.5 | -70.2 | -170.1 | -76.5 | -157.5 | -8.8 | 113.6 | H366 H368 G374 I375 | H366-R370 PolarHBondContact O-N 2.95Å; H368-R370 PolarHBondContact O-N 3.25Å; R370-G374 CarbonylContact O-C 3.34Å; R370-G374 PolarHBondContact O-N 2.98Å; R370-I375 HydrophobicContact CB-CB 4.44Å; R370-I375 HydrophobicContact CG-CB 4.41Å; R370-I375 PolarHBondContact O-N 2.78Å |
| 371 | V | 83.2 | Confident | 82.2 | Confident | 91 Ų | 91 | 74.9 Ų | 74.9 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.6 | -40.8 | 175.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | H368 M369 G374 | H368-V371 VanDerWaalsContact O-CB 3.26Å; H368-V371 WeakPolarHBondContact O-CB 3.2Å; H368-V371 WeakPolarHBondContact O-CG2 3.26Å; H368-V371 PolarHBondContact O-N 3.19Å; M369-V371 PolarHBondContact O-N 3.48Å; V371-G374 PolarHBondContact O-N 3.3Å |
| 372 | H | 80 | Confident | 82.6 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 38% | 0.384 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.1 | -33.9 | 176.8 | -75.7 | -75.1 | 0 | 0 | 0 | 112.7 | L354 C355 H368 M369 G374 | L354-H372 HydrophobicContact CD1-CB 3.57Å; C355-H372 PolarHBondContact SG-NE2 2.77Å; C355-H372 VanDerWaalsContact SG-NE2 3.37Å; H368-H372 AromaticContact CE1-CD2 3.71Å; H368-H372 AromaticContact CE1-NE2 3.51Å; H368-H372 AromaticContact NE2-CD2 3.76Å; H368-H372 AromaticContact NE2-NE2 3.54Å; M369-H372 PolarHBondContact O-N 3.33Å; H372-G374 VanDerWaalsContact C-N 3.31Å |
| 373 | A | 79.9 | Confident | 83.2 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -2.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M369 I375 | M369-A373 PolarHBondContact O-N 3.39Å; A373-I375 HydrophobicContact CB-CD1 3.75Å; A373-I375 HydrophobicContact CB-CG1 3.78Å; A373-I375 PolarHBondContact O-N 2.88Å; A373-I375 VanDerWaalsContact O-N 3.09Å |
| 374 | G | 81.5 | Confident | 83.4 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -0.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R370 V371 H372 K376 | R370-G374 CarbonylContact O-C 3.34Å; R370-G374 PolarHBondContact O-N 2.98Å; V371-G374 PolarHBondContact O-N 3.3Å; H372-G374 VanDerWaalsContact C-N 3.31Å; G374-K376 PolarHBondContact O-N 3.22Å |
| 375 | I | 80.1 | Confident | 83.6 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | trans | -68.9 | 115.5 | -170.4 | -58 | 172.8 | 0 | 0 | 0 | 110.9 | R370 A373 P377 | R370-I375 HydrophobicContact CB-CB 4.44Å; R370-I375 HydrophobicContact CG-CB 4.41Å; R370-I375 PolarHBondContact O-N 2.78Å; A373-I375 HydrophobicContact CB-CD1 3.75Å; A373-I375 HydrophobicContact CB-CG1 3.78Å; A373-I375 PolarHBondContact O-N 2.88Å; A373-I375 VanDerWaalsContact O-N 3.09Å; I375-P377 WeakPolarHBondContact O-CD 3.35Å | ||
| 376 | K | 85 | Confident | 83.9 | Confident | 112 Ų | 112 | 75.5 Ų | 75.5 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | trans | -118.7 | 81.8 | 178.2 | -68.1 | 169.8 | 175 | -174.4 | 0 | 110.1 | G374 F378 T386 F387 T388 | G374-K376 PolarHBondContact O-N 3.22Å; K376-F378 VanDerWaalsContact C-N 3.27Å; K376-F378 PolarHBondContact O-N 2.95Å; K376-T386 WeakPolarHBondContact CD-OG1 3.46Å; K376-F387 CarbonylContact C-O 3.57Å; K376-F387 VanDerWaalsContact C-O 3.22Å; K376-F387 VanDerWaalsContact CA-O 3.26Å; K376-F387 WeakPolarHBondContact CA-O 3.31Å; K376-T388 HydrophobicContact CG-CG2 3.81Å | ||
| 377 | P | 81.5 | Confident | 84.1 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | trans | -81.5 | -1.4 | -167.2 | 33.8 | -34.4 | 0 | 0 | 0 | 114.1 | I375 F387 | I375-P377 WeakPolarHBondContact O-CD 3.35Å; P377-F387 WeakPolarHBondContact CD-O 3.39Å | ||
| 378 | F | 86.1 | Confident | 84.2 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 25% | 0.254 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.9 | -179.2 | -56.5 | -74.6 | 0 | 0 | 0 | 109.6 | K376 T386 F387 K390 L393 | K376-F378 VanDerWaalsContact C-N 3.27Å; K376-F378 PolarHBondContact O-N 2.95Å; F378-T386 CarbonylContact O-C 3.5Å; F378-T386 WeakPolarHBondContact O-CA 3.37Å; F378-F387 HydrophobicContact CB-CB 4.37Å; F378-F387 PolarHBondContact N-O 3.33Å; F378-F387 PolarHBondContact O-N 2.88Å; F378-K390 HydrophobicContact CD1-CB 4.17Å; F378-K390 HydrophobicContact CE1-CB 3.86Å; F378-K390 HydrophobicContact CE1-CG 4.46Å; F378-K390 HydrophobicContact CE2-CB 4.49Å; F378-K390 HydrophobicContact CZ-CB 4.03Å; F378-L393 HydrophobicContact CB-CB 4.18Å; F378-L393 HydrophobicContact CB-CD2 3.9Å |
| 379 | Q | 88.3 | Confident | 84.2 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 147.4 | 178.8 | -167.5 | 166 | 26.8 | 0 | 0 | 111.5 | G384 K385 T386 L393 | Q379-G384 WeakPolarHBondContact CG-O 3.45Å; Q379-G384 PolarHBondContact NE2-O 3.36Å; Q379-K385 CarbonylContact C-O 3.55Å; Q379-T386 HydrophobicContact CB-CG2 4.07Å; Q379-T386 HydrophobicContact CG-CG2 3.86Å; Q379-L393 VanDerWaalsContact O-CD2 3.31Å; Q379-L393 WeakPolarHBondContact O-CD2 3.35Å |
| 380 | C | 88.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.014 | 41% | 0.412 | C | S | . | . | trans | -89 | 115.6 | 169.7 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | I382 C383 G384 K385 F387 L393 H400 | C380-I382 PolarHBondContact O-N 2.81Å; C380-C383 PolarHBondContact O-N 2.83Å; C380-G384 VanDerWaalsContact O-CA 3.32Å; C380-G384 WeakPolarHBondContact O-CA 3.47Å; C380-G384 PolarHBondContact O-N 2.92Å; C380-K385 PolarHBondContact N-O 3.2Å; C380-F387 HydrophobicContact CB-CE2 4.32Å; C380-L393 HydrophobicContact CB-CD1 3.67Å; C380-H400 PolarHBondContact SG-NE2 2.93Å; C380-H400 VanDerWaalsContact SG-NE2 3.45Å | ||
| 381 | N | 85.9 | Confident | 84.1 | Confident | 166 Ų | 166 | 75.2 Ų | 75.2 | 89% | 0.888 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.4 | -178.4 | -59.8 | 3.6 | 0 | 0 | 0 | 113 | ||
| 382 | I | 83.9 | Confident | 84.1 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -30.1 | -176.2 | -57.2 | 172.6 | 0 | 0 | 0 | 112.4 | C380 H400 | C380-I382 PolarHBondContact O-N 2.81Å; I382-H400 HydrophobicContact CD1-CB 3.56Å; I382-H400 HydrophobicContact CG2-CB 4.26Å |
| 383 | C | 86.6 | Confident | 84.4 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 33% | 0.331 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 15 | -174.4 | 71.6 | 0 | 0 | 0 | 0 | 115.6 | C380 K385 H396 H400 | C380-C383 PolarHBondContact O-N 2.83Å; C383-K385 PolarHBondContact O-N 3.21Å; C383-H396 PolarHBondContact SG-NE2 2.96Å; C383-H400 VanDerWaalsContact SG-CE1 3.54Å; C383-H400 PolarHBondContact SG-NE2 3.07Å |
| 384 | G | 83.8 | Confident | 84.6 | Confident | 37 Ų | 37 | 70 Ų | 70 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | trans | 68.2 | -7.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q379 C380 | Q379-G384 WeakPolarHBondContact CG-O 3.45Å; Q379-G384 PolarHBondContact NE2-O 3.36Å; C380-G384 VanDerWaalsContact O-CA 3.32Å; C380-G384 WeakPolarHBondContact O-CA 3.47Å; C380-G384 PolarHBondContact O-N 2.92Å | ||
| 385 | K | 86.4 | Confident | 84.6 | Confident | 124 Ų | 124 | 70 Ų | 70 | 54% | 0.539 | 37% | 0.37 | S | S | . | . | trans | -64.1 | 136.1 | -175.9 | -69.8 | 176.3 | -174 | 167.8 | 0 | 112 | Q379 C380 C383 F387 | Q379-K385 CarbonylContact C-O 3.55Å; C380-K385 PolarHBondContact N-O 3.2Å; C383-K385 PolarHBondContact O-N 3.21Å; K385-F387 HydrophobicContact CB-CE2 3.89Å; K385-F387 HydrophobicContact CB-CZ 4.1Å; K385-F387 WeakPolarHBondContact O-CE2 3.35Å | ||
| 386 | T | 87.4 | Confident | 84.7 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 143.1 | -175.4 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | K376 F378 Q379 | K376-T386 WeakPolarHBondContact CD-OG1 3.46Å; F378-T386 CarbonylContact O-C 3.5Å; F378-T386 WeakPolarHBondContact O-CA 3.37Å; Q379-T386 HydrophobicContact CB-CG2 4.07Å; Q379-T386 HydrophobicContact CG-CG2 3.86Å |
| 387 | F | 85.1 | Confident | 84.6 | Confident | 45 Ų | 45 | 64 Ų | 64 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152 | -171.5 | -59.8 | -89.5 | 0 | 0 | 0 | 111.9 | K376 P377 F378 C380 K385 L393 H396 | K376-F387 CarbonylContact C-O 3.57Å; K376-F387 VanDerWaalsContact C-O 3.22Å; K376-F387 VanDerWaalsContact CA-O 3.26Å; K376-F387 WeakPolarHBondContact CA-O 3.31Å; P377-F387 WeakPolarHBondContact CD-O 3.39Å; F378-F387 HydrophobicContact CB-CB 4.37Å; F378-F387 PolarHBondContact N-O 3.33Å; F378-F387 PolarHBondContact O-N 2.88Å; C380-F387 HydrophobicContact CB-CE2 4.32Å; K385-F387 HydrophobicContact CB-CE2 3.89Å; K385-F387 HydrophobicContact CB-CZ 4.1Å; K385-F387 WeakPolarHBondContact O-CE2 3.35Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 4.11Å; F387-L393 HydrophobicContact CD2-CD1 3.95Å; F387-L393 HydrophobicContact CE2-CD1 4.11Å; F387-L393 HydrophobicContact CG-CB 4.38Å; F387-H396 HydrophobicContact CE1-CB 4.04Å; F387-H396 HydrophobicContact CE2-CB 4.15Å; F387-H396 AromaticContact CE2-CD2 3.39Å; F387-H396 WeakPolarHBondContact CE2-CD2 3.32Å; F387-H396 AromaticContact CE2-CG 3.89Å; F387-H396 HydrophobicContact CZ-CB 3.61Å; F387-H396 AromaticContact CZ-CD2 3.31Å; F387-H396 WeakPolarHBondContact CZ-CD2 3.42Å; F387-H396 AromaticContact CZ-CG 3.37Å |
| 388 | T | 82.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -84.4 | -10.6 | 178.1 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | K376 | K376-T388 HydrophobicContact CG-CG2 3.81Š|
| 389 | Q | 84.1 | Confident | 84.1 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -144.7 | 141.2 | -174.3 | -53.6 | -173.1 | 63 | 0 | 0 | 111.9 | R367 C391 S392 L393 | R367-Q389 HydrophobicContact CG-CG 4.42Å; Q389-C391 VanDerWaalsContact C-N 3.35Å; Q389-C391 PolarHBondContact O-N 3.16Å; Q389-S392 PolarHBondContact O-N 3.29Å; Q389-S392 VanDerWaalsContact O-N 3.15Å; Q389-L393 PolarHBondContact O-N 3.27Å |
| 390 | K | 84 | Confident | 83.6 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | 178.7 | -172.1 | 179.1 | 179.8 | -178.7 | 0 | 112.5 | F378 S392 L393 L394 | F378-K390 HydrophobicContact CD1-CB 4.17Å; F378-K390 HydrophobicContact CE1-CB 3.86Å; F378-K390 HydrophobicContact CE1-CG 4.46Å; F378-K390 HydrophobicContact CE2-CB 4.49Å; F378-K390 HydrophobicContact CZ-CB 4.03Å; K390-S392 VanDerWaalsContact C-N 3.3Å; K390-S392 PolarHBondContact O-N 2.98Å; K390-L393 WeakPolarHBondContact O-CB 3.29Å; K390-L393 PolarHBondContact O-N 3.49Å; K390-L394 PolarHBondContact O-N 3.09Å |
| 391 | C | 81.6 | Confident | 83 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 176.7 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | Q389 L394 D395 | Q389-C391 VanDerWaalsContact C-N 3.35Å; Q389-C391 PolarHBondContact O-N 3.16Å; C391-L394 PolarHBondContact O-N 3.39Å; C391-D395 WeakPolarHBondContact O-CB 3.49Å; C391-D395 PolarHBondContact O-N 3.31Å |
| 392 | S | 83.4 | Confident | 82.4 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.3 | -30.2 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | Q389 K390 H396 | Q389-S392 PolarHBondContact O-N 3.29Å; Q389-S392 VanDerWaalsContact O-N 3.15Å; K390-S392 VanDerWaalsContact C-N 3.3Å; K390-S392 PolarHBondContact O-N 2.98Å; S392-H396 VanDerWaalsContact O-CB 3.3Å; S392-H396 WeakPolarHBondContact O-CB 3.45Å; S392-H396 PolarHBondContact O-N 3.04Å |
| 393 | L | 86.4 | Confident | 82 | Confident | 33 Ų | 33 | 57.7 Ų | 57.7 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 169 | 172.1 | 61.2 | 0 | 0 | 0 | 111.1 | F378 Q379 C380 F387 Q389 K390 H396 H397 | F378-L393 HydrophobicContact CB-CB 4.18Å; F378-L393 HydrophobicContact CB-CD2 3.9Å; Q379-L393 VanDerWaalsContact O-CD2 3.31Å; Q379-L393 WeakPolarHBondContact O-CD2 3.35Å; C380-L393 HydrophobicContact CB-CD1 3.67Å; F387-L393 HydrophobicContact CB-CB 4.43Å; F387-L393 HydrophobicContact CD2-CB 4.11Å; F387-L393 HydrophobicContact CD2-CD1 3.95Å; F387-L393 HydrophobicContact CE2-CD1 4.11Å; F387-L393 HydrophobicContact CG-CB 4.38Å; Q389-L393 PolarHBondContact O-N 3.27Å; K390-L393 WeakPolarHBondContact O-CB 3.29Å; K390-L393 PolarHBondContact O-N 3.49Å; L393-H396 CarbonylContact O-C 3.45Å; L393-H396 WeakPolarHBondContact O-CB 3.43Å; L393-H396 PolarHBondContact O-N 3.29Å; L393-H397 PolarHBondContact O-N 3.05Å |
| 394 | L | 83.9 | Confident | 81.4 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 177.8 | -177.5 | 58.6 | 0 | 0 | 0 | 112 | K390 C391 H396 H397 N398 Y452 | K390-L394 PolarHBondContact O-N 3.09Å; C391-L394 PolarHBondContact O-N 3.39Å; L394-H396 PolarHBondContact O-N 2.64Å; L394-H397 WeakPolarHBondContact O-CB 3.44Å; L394-H397 PolarHBondContact O-N 3.16Å; L394-N398 PolarHBondContact O-N 3.1Å; L394-N398 PolarHBondContact O-OD1 2.87Å; L394-Y452 HydrophobicContact CD1-CD1 4.4Å; L394-Y452 HydrophobicContact CD1-CE1 3.62Å |
| 395 | D | 80.8 | Confident | 81 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -49.9 | -45.5 | 170.6 | -89.8 | -25.5 | 0 | 0 | 0 | 110.2 | C391 H417 | C391-D395 WeakPolarHBondContact O-CB 3.49Å; C391-D395 PolarHBondContact O-N 3.31Å; D395-H417 PolarHBondContact O-CE1 3.24Å; D395-H417 PolarHBondContact O-ND1 2.6Å |
| 396 | H | 84.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 178.2 | 175.6 | 53.9 | 0 | 0 | 0 | 113.8 | C383 F387 S392 L393 L394 N398 L399 H400 | C383-H396 PolarHBondContact SG-NE2 2.96Å; F387-H396 HydrophobicContact CE1-CB 4.04Å; F387-H396 HydrophobicContact CE2-CB 4.15Å; F387-H396 AromaticContact CE2-CD2 3.39Å; F387-H396 WeakPolarHBondContact CE2-CD2 3.32Å; F387-H396 AromaticContact CE2-CG 3.89Å; F387-H396 HydrophobicContact CZ-CB 3.61Å; F387-H396 AromaticContact CZ-CD2 3.31Å; F387-H396 WeakPolarHBondContact CZ-CD2 3.42Å; F387-H396 AromaticContact CZ-CG 3.37Å; S392-H396 VanDerWaalsContact O-CB 3.3Å; S392-H396 WeakPolarHBondContact O-CB 3.45Å; S392-H396 PolarHBondContact O-N 3.04Å; L393-H396 CarbonylContact O-C 3.45Å; L393-H396 WeakPolarHBondContact O-CB 3.43Å; L393-H396 PolarHBondContact O-N 3.29Å; L394-H396 PolarHBondContact O-N 2.64Å; H396-N398 VanDerWaalsContact C-N 3.28Å; H396-N398 PolarHBondContact O-N 2.91Å; H396-L399 WeakPolarHBondContact O-CB 3.42Å; H396-L399 PolarHBondContact O-N 3.37Å; H396-L399 VanDerWaalsContact O-N 3.11Å; H396-H400 AromaticContact CD2-NE2 3.88Å; H396-H400 AromaticContact CE1-CE1 3.98Å; H396-H400 AromaticContact CE1-NE2 3.26Å; H396-H400 PolarHBondContact CE1-NE2 3.26Å; H396-H400 VanDerWaalsContact CE1-NE2 3.26Å; H396-H400 AromaticContact NE2-CD2 3.98Å; H396-H400 AromaticContact NE2-NE2 3.07Å; H396-H400 PolarHBondContact NE2-NE2 3.49Å |
| 397 | H | 81.6 | Confident | 80.3 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 178.4 | -162.7 | -74.4 | 0 | 0 | 0 | 111.8 | L393 L394 L399 H400 S401 | L393-H397 PolarHBondContact O-N 3.05Å; L394-H397 WeakPolarHBondContact O-CB 3.44Å; L394-H397 PolarHBondContact O-N 3.16Å; H397-L399 PolarHBondContact O-N 3.15Å; H397-H400 PolarHBondContact O-N 3.38Å; H397-S401 PolarHBondContact ND1-OG 3.17Å; H397-S401 PolarHBondContact O-N 3.45Å |
| 398 | N | 79.9 | Confident | 80.1 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.4 | -24.4 | 176.1 | -57.4 | -7.9 | 0 | 0 | 0 | 113 | L394 H396 H400 G402 D403 A416 | L394-N398 PolarHBondContact O-N 3.1Å; L394-N398 PolarHBondContact O-OD1 2.87Å; H396-N398 VanDerWaalsContact C-N 3.28Å; H396-N398 PolarHBondContact O-N 2.91Å; N398-H400 VanDerWaalsContact C-N 3.33Å; N398-G402 CarbonylContact O-C 3.53Å; N398-G402 WeakPolarHBondContact O-CA 3.35Å; N398-G402 PolarHBondContact O-N 3.23Å; N398-D403 HydrophobicContact CB-CB 4.1Å; N398-D403 PolarHBondContact O-N 3.24Å; N398-D403 VanDerWaalsContact O-N 3.11Å; N398-A416 PolarHBondContact ND2-O 2.83Å |
| 399 | L | 78.3 | Confident | 80 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.8 | -22.7 | 175.6 | -62.8 | 173.2 | 0 | 0 | 0 | 113.5 | H396 H397 A416 | H396-L399 WeakPolarHBondContact O-CB 3.42Å; H396-L399 PolarHBondContact O-N 3.37Å; H396-L399 VanDerWaalsContact O-N 3.11Å; H397-L399 PolarHBondContact O-N 3.15Å; L399-A416 HydrophobicContact CD2-CB 3.89Å |
| 400 | H | 77.6 | Confident | 79.7 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -89.1 | -42.6 | 175.5 | -58.7 | -73.4 | 0 | 0 | 0 | 110.9 | C380 I382 C383 H396 H397 N398 G402 | C380-H400 PolarHBondContact SG-NE2 2.93Å; C380-H400 VanDerWaalsContact SG-NE2 3.45Å; I382-H400 HydrophobicContact CD1-CB 3.56Å; I382-H400 HydrophobicContact CG2-CB 4.26Å; C383-H400 VanDerWaalsContact SG-CE1 3.54Å; C383-H400 PolarHBondContact SG-NE2 3.07Å; H396-H400 AromaticContact CD2-NE2 3.88Å; H396-H400 AromaticContact CE1-CE1 3.98Å; H396-H400 AromaticContact CE1-NE2 3.26Å; H396-H400 PolarHBondContact CE1-NE2 3.26Å; H396-H400 VanDerWaalsContact CE1-NE2 3.26Å; H396-H400 AromaticContact NE2-CD2 3.98Å; H396-H400 AromaticContact NE2-NE2 3.07Å; H396-H400 PolarHBondContact NE2-NE2 3.49Å; H397-H400 PolarHBondContact O-N 3.38Å; N398-H400 VanDerWaalsContact C-N 3.33Å; H400-G402 PolarHBondContact O-N 3.42Å |
| 401 | S | 75.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -23.7 | 173.3 | -49.9 | 0 | 0 | 0 | 0 | 113.4 | H397 D403 | H397-S401 PolarHBondContact ND1-OG 3.17Å; H397-S401 PolarHBondContact O-N 3.45Å; S401-D403 WeakPolarHBondContact CB-OD2 3.3Å; S401-D403 PolarHBondContact O-N 2.82Å; S401-D403 PolarHBondContact OG-OD2 3.25Å |
| 402 | G | 72.6 | Confident | 79.6 | Confident | 43 Ų | 43 | 64 Ų | 64 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | trans | 81.1 | -1.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N398 H400 K404 | N398-G402 CarbonylContact O-C 3.53Å; N398-G402 WeakPolarHBondContact O-CA 3.35Å; N398-G402 PolarHBondContact O-N 3.23Å; H400-G402 PolarHBondContact O-N 3.42Å; G402-K404 PolarHBondContact O-N 3.4Å | ||
| 403 | D | 75.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 67.4 Ų | 67.4 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | trans | -55.8 | 130.3 | -177.7 | -74.5 | -47.7 | 0 | 0 | 0 | 112.9 | N398 S401 P405 | N398-D403 HydrophobicContact CB-CB 4.1Å; N398-D403 PolarHBondContact O-N 3.24Å; N398-D403 VanDerWaalsContact O-N 3.11Å; S401-D403 WeakPolarHBondContact CB-OD2 3.3Å; S401-D403 PolarHBondContact O-N 2.82Å; S401-D403 PolarHBondContact OG-OD2 3.25Å; D403-P405 VanDerWaalsContact C-CD 3.49Å; D403-P405 WeakPolarHBondContact O-CD 3.46Å | ||
| 404 | K | 73.9 | Confident | 78.9 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | trans | -124.3 | 74.7 | 177.5 | -68.2 | 159.5 | -169.3 | 161.7 | 0 | 109.6 | G402 H406 V414 F415 | G402-K404 PolarHBondContact O-N 3.4Å; K404-H406 PolarHBondContact O-N 2.9Å; K404-V414 HydrophobicContact CB-CB 3.91Å; K404-V414 HydrophobicContact CB-CG1 3.73Å; K404-V414 WeakPolarHBondContact O-CG1 3.5Å; K404-F415 CarbonylContact C-O 3.53Å; K404-F415 WeakPolarHBondContact CA-O 3.37Å | ||
| 405 | P | 76.7 | Confident | 78.7 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | trans | -76.9 | 12.8 | -174.7 | 32.5 | -37.1 | 0 | 0 | 0 | 114.2 | D403 | D403-P405 VanDerWaalsContact C-CD 3.49Å; D403-P405 WeakPolarHBondContact O-CD 3.46Å | ||
| 406 | H | 79.1 | Confident | 78.4 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 8% | 0.083 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 93.1 | -173.7 | -56.2 | -39.5 | 0 | 0 | 0 | 111.8 | K404 F415 H417 K418 L421 | K404-H406 PolarHBondContact O-N 2.9Å; H406-F415 HydrophobicContact CB-CB 4.45Å; H406-F415 WeakPolarHBondContact CB-O 3.49Å; H406-F415 PolarHBondContact N-O 3.15Å; H406-F415 WeakPolarHBondContact O-CD2 3.49Å; H406-F415 PolarHBondContact O-N 3.17Å; H406-H417 VanDerWaalsContact CD2-C 3.42Å; H406-K418 PolarHBondContact CD2-N 3.25Å; H406-K418 VanDerWaalsContact CD2-N 3.27Å; H406-K418 VanDerWaalsContact NE2-CG 3.29Å; H406-K418 WeakPolarHBondContact NE2-CG 3.41Å; H406-L421 HydrophobicContact CB-CD2 4.01Å |
| 407 | C | 78.7 | Confident | 78.1 | Confident | 60 Ų | 60 | 67.5 Ų | 67.5 | 41% | 0.405 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 157.2 | 169.8 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | M413 V414 L421 | C407-M413 CarbonylContact C-O 3.22Å; C407-M413 WeakPolarHBondContact CA-O 3.31Å; C407-V414 HydrophobicContact CB-CG1 4.26Å; C407-L421 WeakPolarHBondContact O-CD2 3.22Å |
| 408 | C | 81.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | trans | -96.7 | 119 | 167.8 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | Y410 C411 Y412 M413 F415 L421 H424 L425 | C408-Y410 PolarHBondContact O-N 3.3Å; C408-C411 PolarHBondContact O-N 3.03Å; C408-Y412 VanDerWaalsContact O-CA 3.24Å; C408-Y412 WeakPolarHBondContact O-CA 3.31Å; C408-Y412 PolarHBondContact O-N 2.97Å; C408-M413 PolarHBondContact N-O 3.05Å; C408-F415 HydrophobicContact CB-CE2 4.22Å; C408-L421 HydrophobicContact CB-CD1 3.73Å; C408-H424 PolarHBondContact SG-NE2 3.29Å; C408-L425 VanDerWaalsContact SG-CD2 3.58Å | ||
| 409 | N | 81.1 | Confident | 77.9 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.9 | -177.7 | -61.3 | 0.7 | 0 | 0 | 0 | 115 | ||
| 410 | Y | 75.9 | Confident | 78.1 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -19.5 | -177.4 | -64.5 | -77.7 | 0 | 0 | 0 | 114.8 | C408 L425 H429 K431 | C408-Y410 PolarHBondContact O-N 3.3Å; Y410-L425 HydrophobicContact CD2-CD2 3.94Å; Y410-L425 HydrophobicContact CE2-CD2 4.28Å; Y410-H429 VanDerWaalsContact CB-CE1 3.46Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.46Å; Y410-K431 HydrophobicContact CE2-CD 4.21Å; Y410-K431 WeakPolarHBondContact OH-CD 3.43Å; Y410-K431 PolarHBondContact OH-NZ 2.86Å |
| 411 | C | 83.3 | Confident | 78.4 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 32% | 0.324 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.3 | 6.2 | -179.4 | 63.9 | 0 | 0 | 0 | 0 | 114 | C408 M413 H424 H429 | C408-C411 PolarHBondContact O-N 3.03Å; C411-M413 PolarHBondContact O-N 3.3Å; C411-H424 PolarHBondContact SG-CE1 3.19Å; C411-H424 PolarHBondContact SG-NE2 3.01Å; C411-H429 PolarHBondContact SG-NE2 2.94Å; C411-H429 VanDerWaalsContact SG-NE2 3.43Å |
| 412 | Y | 80.3 | Confident | 78.7 | Confident | 182 Ų | 182 | 69 Ų | 69 | 71% | 0.714 | 36% | 0.356 | S | S | * | . | trans | 58.4 | 3 | 177.4 | -52.5 | -77 | 0 | 0 | 0 | 116.6 | C408 V414 | C408-Y412 VanDerWaalsContact O-CA 3.24Å; C408-Y412 WeakPolarHBondContact O-CA 3.31Å; C408-Y412 PolarHBondContact O-N 2.97Å; Y412-V414 PolarHBondContact O-N 3.49Å | ||
| 413 | M | 77.8 | Confident | 79.3 | Confident | 111 Ų | 111 | 74 Ų | 74 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | trans | -54.9 | 136.2 | 170.9 | -69.1 | -62 | -67.6 | 0 | 0 | 111.6 | C407 C408 C411 F415 | C407-M413 CarbonylContact C-O 3.22Å; C407-M413 WeakPolarHBondContact CA-O 3.31Å; C408-M413 PolarHBondContact N-O 3.05Å; C411-M413 PolarHBondContact O-N 3.3Å; M413-F415 HydrophobicContact CB-CE2 3.84Å; M413-F415 HydrophobicContact CB-CZ 3.88Å; M413-F415 WeakPolarHBondContact O-CD2 3.42Å; M413-F415 VanDerWaalsContact O-CE2 3.29Å; M413-F415 WeakPolarHBondContact O-CE2 3.43Å | ||
| 414 | V | 79.1 | Confident | 79.8 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.6 | -170.6 | -136.2 | 0 | 0 | 0 | 0 | 112.3 | K404 C407 Y412 | K404-V414 HydrophobicContact CB-CB 3.91Å; K404-V414 HydrophobicContact CB-CG1 3.73Å; K404-V414 WeakPolarHBondContact O-CG1 3.5Å; C407-V414 HydrophobicContact CB-CG1 4.26Å; Y412-V414 PolarHBondContact O-N 3.49Å |
| 415 | F | 78.1 | Confident | 80.3 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.4 | -170.7 | -56.8 | -85.8 | 0 | 0 | 0 | 112.1 | K404 H406 C408 M413 V420 L421 H424 | K404-F415 CarbonylContact C-O 3.53Å; K404-F415 WeakPolarHBondContact CA-O 3.37Å; H406-F415 HydrophobicContact CB-CB 4.45Å; H406-F415 WeakPolarHBondContact CB-O 3.49Å; H406-F415 PolarHBondContact N-O 3.15Å; H406-F415 WeakPolarHBondContact O-CD2 3.49Å; H406-F415 PolarHBondContact O-N 3.17Å; C408-F415 HydrophobicContact CB-CE2 4.22Å; M413-F415 HydrophobicContact CB-CE2 3.84Å; M413-F415 HydrophobicContact CB-CZ 3.88Å; M413-F415 WeakPolarHBondContact O-CD2 3.42Å; M413-F415 VanDerWaalsContact O-CE2 3.29Å; M413-F415 WeakPolarHBondContact O-CE2 3.43Å; F415-V420 HydrophobicContact CD1-CB 4.33Å; F415-V420 HydrophobicContact CD1-CG1 3.65Å; F415-V420 HydrophobicContact CE1-CG1 4.23Å; F415-L421 HydrophobicContact CB-CB 4.34Å; F415-L421 HydrophobicContact CD2-CB 3.95Å; F415-L421 HydrophobicContact CD2-CD1 3.72Å; F415-L421 HydrophobicContact CD2-CG 4.39Å; F415-L421 HydrophobicContact CE2-CD1 3.79Å; F415-L421 HydrophobicContact CG-CB 4.25Å; F415-H424 HydrophobicContact CE1-CB 4.06Å; F415-H424 HydrophobicContact CE2-CB 4.28Å; F415-H424 AromaticContact CE2-CD2 3.73Å; F415-H424 AromaticContact CE2-CG 3.91Å; F415-H424 HydrophobicContact CZ-CB 3.66Å; F415-H424 AromaticContact CZ-CD2 3.68Å; F415-H424 AromaticContact CZ-CG 3.38Å; F415-H424 AromaticContact CZ-ND1 3.72Å |
| 416 | A | 75.4 | Confident | 80.8 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -75.4 | -20.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N398 L399 | N398-A416 PolarHBondContact ND2-O 2.83Å; L399-A416 HydrophobicContact CD2-CB 3.89Å |
| 417 | H | 76.8 | Confident | 81.1 | Confident | 39 Ų | 39 | 75.9 Ų | 75.9 | 18% | 0.181 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -143.3 | 141.7 | -176.2 | -34 | -64.8 | 0 | 0 | 0 | 113.9 | D395 H406 P419 V420 L421 | D395-H417 PolarHBondContact O-CE1 3.24Å; D395-H417 PolarHBondContact O-ND1 2.6Å; H406-H417 VanDerWaalsContact CD2-C 3.42Å; H417-P419 VanDerWaalsContact C-CD 3.4Å; H417-V420 HydrophobicContact CB-CG2 4.33Å; H417-V420 PolarHBondContact O-N 3.45Å; H417-L421 PolarHBondContact O-N 2.82Å |
| 418 | K | 79.1 | Confident | 81.3 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.7 | -33.7 | 175.9 | -58.9 | -167.1 | -179.6 | -175.1 | 0 | 115.6 | H406 V420 R422 | H406-K418 PolarHBondContact CD2-N 3.25Å; H406-K418 VanDerWaalsContact CD2-N 3.27Å; H406-K418 VanDerWaalsContact NE2-CG 3.29Å; H406-K418 WeakPolarHBondContact NE2-CG 3.41Å; K418-V420 VanDerWaalsContact C-N 3.33Å; K418-R422 WeakPolarHBondContact O-CG 3.34Å; K418-R422 PolarHBondContact O-N 3.32Å; K418-R422 VanDerWaalsContact O-N 3.1Å; K418-R422 PolarHBondContact O-NE 3.27Å |
| 419 | P | 80.2 | Confident | 81.4 | Confident | 61 Ų | 61 | 80.9 Ų | 80.9 | 40% | 0.396 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -31.1 | 174.9 | -23.1 | 34.7 | 0 | 0 | 0 | 113.9 | H417 K423 | H417-P419 VanDerWaalsContact C-CD 3.4Å; P419-K423 PolarHBondContact O-N 3.37Å; P419-K423 VanDerWaalsContact O-N 3.16Å |
| 420 | V | 82.2 | Confident | 81.2 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 39% | 0.394 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.7 | -46.2 | 179.8 | -173.6 | 0 | 0 | 0 | 0 | 110 | F415 H417 K418 R422 K423 H424 | F415-V420 HydrophobicContact CD1-CB 4.33Å; F415-V420 HydrophobicContact CD1-CG1 3.65Å; F415-V420 HydrophobicContact CE1-CG1 4.23Å; H417-V420 HydrophobicContact CB-CG2 4.33Å; H417-V420 PolarHBondContact O-N 3.45Å; K418-V420 VanDerWaalsContact C-N 3.33Å; V420-R422 VanDerWaalsContact C-N 3.26Å; V420-R422 PolarHBondContact O-N 3.36Å; V420-K423 WeakPolarHBondContact O-CB 3.45Å; V420-K423 PolarHBondContact O-N 3.06Å; V420-K423 VanDerWaalsContact O-N 3.09Å; V420-H424 PolarHBondContact O-N 3.11Å |
| 421 | L | 83.4 | Confident | 80.8 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.084 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.8 | -42 | 171.4 | 173.9 | 60.7 | 0 | 0 | 0 | 111.5 | H406 C407 C408 F415 H417 K423 H424 L425 | H406-L421 HydrophobicContact CB-CD2 4.01Å; C407-L421 WeakPolarHBondContact O-CD2 3.22Å; C408-L421 HydrophobicContact CB-CD1 3.73Å; F415-L421 HydrophobicContact CB-CB 4.34Å; F415-L421 HydrophobicContact CD2-CB 3.95Å; F415-L421 HydrophobicContact CD2-CD1 3.72Å; F415-L421 HydrophobicContact CD2-CG 4.39Å; F415-L421 HydrophobicContact CE2-CD1 3.79Å; F415-L421 HydrophobicContact CG-CB 4.25Å; H417-L421 PolarHBondContact O-N 2.82Å; L421-K423 PolarHBondContact O-N 3.11Å; L421-H424 PolarHBondContact O-N 3Å; L421-L425 HydrophobicContact CD1-CD1 3.99Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.5Å; L421-L425 HydrophobicContact CG-CD1 3.86Å; L421-L425 HydrophobicContact CG-CG 4.27Å; L421-L425 WeakPolarHBondContact O-CB 3.29Å; L421-L425 WeakPolarHBondContact O-CG 3.5Å; L421-L425 PolarHBondContact O-N 3.35Å |
| 422 | R | 82.8 | Confident | 79.7 | Confident | 137 Ų | 137 | 83.2 Ų | 83.2 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 176 | -79.8 | -177.8 | -70.5 | 162.7 | -5.7 | 113.9 | K418 V420 K426 | K418-R422 WeakPolarHBondContact O-CG 3.34Å; K418-R422 PolarHBondContact O-N 3.32Å; K418-R422 VanDerWaalsContact O-N 3.1Å; K418-R422 PolarHBondContact O-NE 3.27Å; V420-R422 VanDerWaalsContact C-N 3.26Å; V420-R422 PolarHBondContact O-N 3.36Å; R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 PolarHBondContact O-N 3.17Å; R422-K426 VanDerWaalsContact O-N 3.16Å |
| 423 | K | 84.1 | Confident | 78.2 | Confident | 148 Ų | 148 | 77.8 Ų | 77.8 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.6 | -49.2 | 172 | -75.7 | -175.7 | 176.9 | -174.5 | 0 | 110.5 | P419 V420 L421 K426 Q427 | P419-K423 PolarHBondContact O-N 3.37Å; P419-K423 VanDerWaalsContact O-N 3.16Å; V420-K423 WeakPolarHBondContact O-CB 3.45Å; V420-K423 PolarHBondContact O-N 3.06Å; V420-K423 VanDerWaalsContact O-N 3.09Å; L421-K423 PolarHBondContact O-N 3.11Å; K423-K426 PolarHBondContact O-N 2.9Å; K423-Q427 WeakPolarHBondContact O-CB 3.4Å; K423-Q427 VanDerWaalsContact O-CG 3.29Å; K423-Q427 WeakPolarHBondContact O-CG 3.29Å; K423-Q427 PolarHBondContact O-N 2.61Å; K423-Q427 PolarHBondContact O-OE1 2.89Å |
| 424 | H | 86.4 | Confident | 77 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 13% | 0.125 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 177.5 | 164.3 | 81.7 | 0 | 0 | 0 | 112.7 | C408 C411 F415 V420 L421 K426 Q427 I428 H429 | C408-H424 PolarHBondContact SG-NE2 3.29Å; C411-H424 PolarHBondContact SG-CE1 3.19Å; C411-H424 PolarHBondContact SG-NE2 3.01Å; F415-H424 HydrophobicContact CE1-CB 4.06Å; F415-H424 HydrophobicContact CE2-CB 4.28Å; F415-H424 AromaticContact CE2-CD2 3.73Å; F415-H424 AromaticContact CE2-CG 3.91Å; F415-H424 HydrophobicContact CZ-CB 3.66Å; F415-H424 AromaticContact CZ-CD2 3.68Å; F415-H424 AromaticContact CZ-CG 3.38Å; F415-H424 AromaticContact CZ-ND1 3.72Å; V420-H424 PolarHBondContact O-N 3.11Å; L421-H424 PolarHBondContact O-N 3Å; H424-K426 VanDerWaalsContact C-N 3.3Å; H424-K426 PolarHBondContact O-N 3.33Å; H424-Q427 PolarHBondContact O-N 3.16Å; H424-I428 WeakPolarHBondContact ND1-CG1 3.42Å; H424-I428 WeakPolarHBondContact O-CB 3.19Å; H424-I428 PolarHBondContact O-N 3.43Å; H424-H429 AromaticContact CE1-NE2 3.84Å; H424-H429 AromaticContact NE2-CD2 3.63Å; H424-H429 AromaticContact NE2-NE2 3.41Å; H424-H429 PolarHBondContact NE2-NE2 3.31Å |
| 425 | L | 84.8 | Confident | 75.3 | Confident | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.131 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.2 | -41.3 | 177.1 | -75 | 168.6 | 0 | 0 | 0 | 112.4 | C408 Y410 L421 H429 G430 K431 | C408-L425 VanDerWaalsContact SG-CD2 3.58Å; Y410-L425 HydrophobicContact CD2-CD2 3.94Å; Y410-L425 HydrophobicContact CE2-CD2 4.28Å; L421-L425 HydrophobicContact CD1-CD1 3.99Å; L421-L425 HydrophobicContact CD1-CG 3.91Å; L421-L425 HydrophobicContact CD2-CD1 4.5Å; L421-L425 HydrophobicContact CG-CD1 3.86Å; L421-L425 HydrophobicContact CG-CG 4.27Å; L421-L425 WeakPolarHBondContact O-CB 3.29Å; L421-L425 WeakPolarHBondContact O-CG 3.5Å; L421-L425 PolarHBondContact O-N 3.35Å; L425-H429 CarbonylContact O-C 3.49Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.42Å; L425-H429 PolarHBondContact O-N 3.41Å; L425-H429 VanDerWaalsContact O-N 3.15Å; L425-G430 PolarHBondContact O-N 2.78Å; L425-K431 PolarHBondContact O-N 3.12Å |
| 426 | K | 85.7 | Confident | 73.5 | Confident | 138 Ų | 138 | 85 Ų | 85 | 60% | 0.6 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.1 | -37.6 | 177.6 | -172.3 | 175.9 | 178.6 | -176.8 | 0 | 112.8 | R422 K423 H424 G430 | R422-K426 WeakPolarHBondContact O-CB 3.48Å; R422-K426 PolarHBondContact O-N 3.17Å; R422-K426 VanDerWaalsContact O-N 3.16Å; K423-K426 PolarHBondContact O-N 2.9Å; H424-K426 VanDerWaalsContact C-N 3.3Å; H424-K426 PolarHBondContact O-N 3.33Å; K426-G430 WeakPolarHBondContact O-CA 3.24Å; K426-G430 PolarHBondContact O-N 3.25Å |
| 427 | Q | 85.9 | Confident | 71.8 | Confident | 151 Ų | 151 | 87.2 Ų | 87.2 | 71% | 0.706 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -83.3 | -38.6 | -175.2 | -71.7 | 175.7 | -63.1 | 0 | 0 | 113.8 | K423 H424 | K423-Q427 WeakPolarHBondContact O-CB 3.4Å; K423-Q427 VanDerWaalsContact O-CG 3.29Å; K423-Q427 WeakPolarHBondContact O-CG 3.29Å; K423-Q427 PolarHBondContact O-N 2.61Å; K423-Q427 PolarHBondContact O-OE1 2.89Å; H424-Q427 PolarHBondContact O-N 3.16Å |
| 428 | I | 84.1 | Confident | 69.9 | Low | 114 Ų | 114 | 90.6 Ų | 90.6 | 59% | 0.585 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -98.9 | -34.1 | -174.1 | -53.8 | -54.9 | 0 | 0 | 0 | 111.9 | H424 | H424-I428 WeakPolarHBondContact ND1-CG1 3.42Å; H424-I428 WeakPolarHBondContact O-CB 3.19Å; H424-I428 PolarHBondContact O-N 3.43Å |
| 429 | H | 83.9 | Confident | 68.4 | Low | 52 Ų | 52 | 94.9 Ų | 94.9 | 24% | 0.241 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -114.9 | -1.4 | -175 | -57.4 | -64.1 | 0 | 0 | 0 | 113.9 | Y410 C411 H424 L425 K431 | Y410-H429 VanDerWaalsContact CB-CE1 3.46Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.46Å; C411-H429 PolarHBondContact SG-NE2 2.94Å; C411-H429 VanDerWaalsContact SG-NE2 3.43Å; H424-H429 AromaticContact CE1-NE2 3.84Å; H424-H429 AromaticContact NE2-CD2 3.63Å; H424-H429 AromaticContact NE2-NE2 3.41Å; H424-H429 PolarHBondContact NE2-NE2 3.31Å; L425-H429 CarbonylContact O-C 3.49Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.42Å; L425-H429 PolarHBondContact O-N 3.41Å; L425-H429 VanDerWaalsContact O-N 3.15Å; H429-K431 WeakPolarHBondContact O-CG 3.33Å; H429-K431 PolarHBondContact O-N 3.49Å |
| 430 | G | 76.4 | Confident | 66.4 | Low | 62 Ų | 62 | 103 Ų | 103 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | trans | 64.7 | 4.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L425 K426 | L425-G430 PolarHBondContact O-N 2.78Å; K426-G430 WeakPolarHBondContact O-CA 3.24Å; K426-G430 PolarHBondContact O-N 3.25Å | ||
| 431 | K | 67.2 | Low | 64.5 | Low | 97 Ų | 97 | 104.6 Ų | 104.6 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | trans | -104.9 | 136.8 | -169.7 | -73.8 | -179.5 | -173.8 | -172.2 | 0 | 112.6 | Y410 L425 H429 | Y410-K431 HydrophobicContact CE2-CD 4.21Å; Y410-K431 WeakPolarHBondContact OH-CD 3.43Å; Y410-K431 PolarHBondContact OH-NZ 2.86Å; L425-K431 PolarHBondContact O-N 3.12Å; H429-K431 WeakPolarHBondContact O-CG 3.33Å; H429-K431 PolarHBondContact O-N 3.49Å | ||
| 432 | N | 59.7 | Low | 62.3 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 71% | 0.711 | 57% | 0.569 | S | S | * | * | trans | -101.2 | -1.2 | 166.8 | -64.8 | -32.1 | 0 | 0 | 0 | 112.8 | ||||
| 433 | S | 50.1 | Low | 60.3 | Low | 68 Ų | 68 | 112.7 Ų | 112.7 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | trans | -67 | 139 | -176.6 | -158 | 0 | 0 | 0 | 0 | 111.6 | D435 | S433-D435 VanDerWaalsContact CB-OD2 3.22Å; S433-D435 WeakPolarHBondContact CB-OD2 3.45Å; S433-D435 PolarHBondContact OG-OD2 2.83Å | ||
| 434 | F | 50.7 | Low | 57.8 | Low | 123 Ų | 123 | 114.4 Ų | 114.4 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | trans | -116 | 52.1 | -177.5 | -147.9 | -84.4 | 0 | 0 | 0 | 110.4 | N436 | F434-N436 PolarHBondContact O-N 3.06Å; F434-N436 VanDerWaalsContact O-N 3.12Å | ||
| 435 | D | 44.6 | Very low | 55.4 | Low | 113 Ų | 113 | 120 Ų | 120 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | trans | -67.9 | 106.6 | 174.8 | -56.7 | -69.6 | 0 | 0 | 0 | 109 | S433 A437 | S433-D435 VanDerWaalsContact CB-OD2 3.22Å; S433-D435 WeakPolarHBondContact CB-OD2 3.45Å; S433-D435 PolarHBondContact OG-OD2 2.83Å; D435-A437 PolarHBondContact O-N 3.48Å | ||
| 436 | N | 40.8 | Very low | 52.9 | Low | 133 Ų | 133 | 122.2 Ų | 122.2 | 71% | 0.711 | 65% | 0.652 | S | S | * | * | trans | -8.5 | 101.5 | -173.9 | -79.7 | -13.8 | 0 | 0 | 0 | 116.6 | F434 N438 | F434-N436 PolarHBondContact O-N 3.06Å; F434-N436 VanDerWaalsContact O-N 3.12Å; N436-N438 HydrophobicContact CB-CB 4.45Å; N436-N438 PolarHBondContact O-N 3.49Å | ||
| 437 | A | 39.1 | Very low | 50.4 | Low | 66 Ų | 66 | 122.1 Ų | 122.1 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -71.7 | 71.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D435 | D435-A437 PolarHBondContact O-N 3.48Š| ||
| 438 | N | 36.8 | Very low | 47.7 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | trans | -78.8 | 148.8 | -179.8 | -155.5 | 76.6 | 0 | 0 | 0 | 111.8 | N436 R440 | N436-N438 HydrophobicContact CB-CB 4.45Å; N436-N438 PolarHBondContact O-N 3.49Å; N438-R440 PolarHBondContact O-N 2.91Å | ||
| 439 | E | 47.3 | Very low | 45 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | trans | -31.3 | 107 | 170.3 | -49.2 | 150.7 | 133.1 | 0 | 0 | 114.5 | ||||
| 440 | R | 38.7 | Very low | 42.4 | Very low | 231 Ų | 231 | 129.6 Ų | 129.6 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | -171 | 153.3 | 126.1 | -120.3 | -179.9 | 171.2 | 128.5 | -0.5 | 115.2 | N438 | N438-R440 PolarHBondContact O-N 2.91Š| |||
| 441 | S | 41.5 | Very low | 40.2 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | 72.3 | 147.3 | 155.9 | -58.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 442 | L | 37 | Very low | 38.7 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 73% | 0.729 | S | S | * | * | cis | -109.7 | 155.9 | 5.6 | -75 | 162.9 | 0 | 0 | 0 | 112.8 | ||||
| 443 | L | 40.8 | Very low | 37.3 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | trans | -65 | 145 | 160.7 | -70.8 | 160.3 | 0 | 0 | 0 | 109.2 | ||||
| 444 | H | 32.7 | Very low | 36.8 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -132.9 | 121.3 | 148.9 | -157.5 | -66.7 | 0 | 0 | 0 | 106.9 | ||||
| 445 | D | 35.9 | Very low | 36.1 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | -68.3 | 146.1 | -179.9 | -60.2 | -73.5 | 0 | 0 | 0 | 110.7 | ||||
| 446 | G | 31 | Very low | 35.8 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | 137.5 | 68.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 447 | V | 34 | Very low | 35.4 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | 36.4 | 103.7 | 152.4 | -171.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 448 | L | 29.2 | Very low | 35.4 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | -175.1 | 111.5 | 122.8 | -100.1 | 177.3 | 0 | 0 | 0 | 109.6 | F450 | L448-F450 PolarHBondContact O-N 2.99Å; L448-F450 VanDerWaalsContact O-N 3.08Å | |||
| 449 | D | 27.9 | Very low | 35.5 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | -73 | 100 | 179 | -75.4 | -60.4 | 0 | 0 | 0 | 112 | ||||
| 450 | F | 29.9 | Very low | 35 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -114.5 | 116.5 | 162.2 | -86.9 | -86 | 0 | 0 | 0 | 109.7 | L448 Y452 | L448-F450 PolarHBondContact O-N 2.99Å; L448-F450 VanDerWaalsContact O-N 3.08Å; F450-Y452 VanDerWaalsContact C-N 3.35Å; F450-Y452 HydrophobicContact CB-CD2 4.43Å; F450-Y452 PolarHBondContact O-N 3.25Å | ||
| 451 | E | 30.2 | Very low | 35 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | trans | -64.9 | 81.7 | -175.8 | -66.9 | -167 | 119.5 | 0 | 0 | 113.5 | G453 | E451-G453 PolarHBondContact O-N 2.87Š| ||
| 452 | Y | 33.9 | Very low | 34.7 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 66% | 0.659 | 73% | 0.727 | S | S | * | * | trans | -78.3 | 70 | 173.7 | -95.5 | -76.5 | 0 | 0 | 0 | 112.5 | L394 F450 R454 | L394-Y452 HydrophobicContact CD1-CD1 4.4Å; L394-Y452 HydrophobicContact CD1-CE1 3.62Å; F450-Y452 VanDerWaalsContact C-N 3.35Å; F450-Y452 HydrophobicContact CB-CD2 4.43Å; F450-Y452 PolarHBondContact O-N 3.25Å; Y452-R454 PolarHBondContact O-N 2.79Å | ||
| 453 | G | 31.5 | Very low | 34.5 | Very low | 55 Ų | 55 | 135.2 Ų | 135.2 | 57% | 0.567 | 72% | 0.716 | S | S | * | * | trans | -57.9 | 102.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E451 L455 | E451-G453 PolarHBondContact O-N 2.87Å; G453-L455 WeakPolarHBondContact O-CG 3.03Å; G453-L455 PolarHBondContact O-N 3.31Å | ||
| 454 | R | 39.3 | Very low | 34.6 | Very low | 232 Ų | 232 | 136 Ų | 136 | 88% | 0.875 | 72% | 0.717 | S | S | * | * | trans | 15.8 | 65.3 | 150.2 | -159.8 | -171 | -64 | 179.5 | 0.8 | 117.3 | Y452 | Y452-R454 PolarHBondContact O-N 2.79Š| ||
| 455 | L | 35.6 | Very low | 34.4 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | -131.7 | 70.4 | 178.1 | -75.2 | 174.1 | 0 | 0 | 0 | 112.9 | G453 | G453-L455 WeakPolarHBondContact O-CG 3.03Å; G453-L455 PolarHBondContact O-N 3.31Å | ||
| 456 | Q | 38.4 | Very low | 34.2 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 56% | 0.556 | 71% | 0.708 | S | S | * | * | trans | -104.5 | 2.9 | 166.2 | -81.1 | -169.9 | 6.3 | 0 | 0 | 114.2 | ||||
| 457 | D | 33.1 | Very low | 34 | Very low | 116 Ų | 116 | 138 Ų | 138 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | trans | -91.8 | 105.8 | 176.1 | -141.7 | -37 | 0 | 0 | 0 | 110.7 | S459 | D457-S459 PolarHBondContact O-N 2.89Å; D457-S459 WeakPolarHBondContact OD1-CB 3.42Å; D457-S459 PolarHBondContact OD1-OG 2.89Å | ||
| 458 | C | 38.9 | Very low | 33.7 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 44% | 0.439 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 20.4 | -178.1 | -70.7 | 0 | 0 | 0 | 0 | 113.8 | R367 | R367-C458 PolarHBondContact NH2-O 3.17Š|
| 459 | S | 38 | Very low | 33.7 | Very low | 63 Ų | 63 | 135.9 Ų | 135.9 | 44% | 0.441 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.5 | -11 | -160.1 | -46.2 | 0 | 0 | 0 | 0 | 114 | D457 | D457-S459 PolarHBondContact O-N 2.89Å; D457-S459 WeakPolarHBondContact OD1-CB 3.42Å; D457-S459 PolarHBondContact OD1-OG 2.89Å |
| 460 | M | 37.5 | Very low | 33.6 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -134.4 | 50.3 | -176.8 | -68.4 | -161.9 | 177.4 | 0 | 0 | 114.4 | N462 | M460-N462 PolarHBondContact O-N 3.19Š| ||
| 461 | D | 38.4 | Very low | 33.6 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -73.5 | 66.2 | 150.8 | -76.3 | -25.5 | 0 | 0 | 0 | 108.3 | ||||
| 462 | N | 36.6 | Very low | 33.3 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -135.1 | 41.1 | -169.8 | -131.5 | 32.4 | 0 | 0 | 0 | 111.5 | M460 | M460-N462 PolarHBondContact O-N 3.19Š| ||
| 463 | S | 32 | Very low | 33.2 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | trans | -127.6 | 151.4 | 164.9 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | D465 | S463-D465 VanDerWaalsContact CB-OD2 3.31Å; S463-D465 WeakPolarHBondContact CB-OD2 2.92Å; S463-D465 PolarHBondContact OG-OD2 2.69Å | ||
| 464 | M | 42.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 84% | 0.842 | 71% | 0.705 | S | S | * | * | trans | -101.4 | 100.8 | 164.2 | -68.8 | -169.3 | 74.9 | 0 | 0 | 108.3 | ||||
| 465 | D | 29.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | trans | -112.3 | 62.2 | 173.2 | -79 | -84.3 | 0 | 0 | 0 | 110.4 | S463 K467 | S463-D465 VanDerWaalsContact CB-OD2 3.31Å; S463-D465 WeakPolarHBondContact CB-OD2 2.92Å; S463-D465 PolarHBondContact OG-OD2 2.69Å; D465-K467 PolarHBondContact O-N 3.08Å | ||
| 466 | N | 30.6 | Very low | 33 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | -71.9 | 73.5 | 155 | -91.9 | 17.5 | 0 | 0 | 0 | 108.1 | ||||
| 467 | K | 26.3 | Very low | 32.7 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -80.4 | 125 | 159.5 | -75.9 | -170.8 | 176.7 | -176.6 | 0 | 108 | D465 | D465-K467 PolarHBondContact O-N 3.08Š| ||
| 468 | P | 27.4 | Very low | 32.7 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -63.7 | 143.8 | 167 | 29 | -33.3 | 0 | 0 | 0 | 108.9 | V470 | P468-V470 PolarHBondContact O-N 2.75Å; P468-V470 VanDerWaalsContact O-N 3.16Å | ||
| 469 | V | 29.1 | Very low | 32.3 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | -71.3 | 107.3 | 162.5 | 176.7 | 0 | 0 | 0 | 0 | 106.3 | M471 | V469-M471 PolarHBondContact O-N 3.22Š| ||
| 470 | V | 27.3 | Very low | 32 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -71.2 | 112.8 | 165.5 | 177.8 | 0 | 0 | 0 | 0 | 106.3 | P468 | P468-V470 PolarHBondContact O-N 2.75Å; P468-V470 VanDerWaalsContact O-N 3.16Å | ||
| 471 | M | 29.2 | Very low | 31.6 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | -70.6 | 131.4 | 157.1 | -69.3 | -69.6 | -171.9 | 0 | 0 | 106.6 | V469 | V469-M471 PolarHBondContact O-N 3.22Š| ||
| 472 | D | 24.3 | Very low | 31.1 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -94.4 | 108.6 | 177.4 | -156.9 | -16.1 | 0 | 0 | 0 | 108.4 | S474 | D472-S474 PolarHBondContact O-N 2.69Š| ||
| 473 | D | 32.3 | Very low | 30.7 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -81.2 | 99 | 178.4 | -79.8 | -39.8 | 0 | 0 | 0 | 109.3 | ||||
| 474 | S | 36.2 | Very low | 30.6 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -156.5 | 74.3 | 173.9 | -80.6 | 0 | 0 | 0 | 0 | 113.8 | D472 | D472-S474 PolarHBondContact O-N 2.69Š| ||
| 475 | L | 32.2 | Very low | 29.5 | Very low | 253 Ų | 253 | 146 Ų | 146 | 100% | 1.325 | 80% | 0.798 | S | S | * | * | 173.1 | 0 | 125.1 | -92.1 | 163.5 | 0 | 0 | 0 | 112.3 |
Retrieved 475 of 475 residues in 1284.6 ms
(Link to these results)