| 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 | 36.5 | Very low | 39.3 | Very low | 236 Ų | 236 | 170.9 Ų | 170.9 | 100% | 1.163 | 87% | 0.868 | S | S | * | * | 0 | 118.8 | 0 | -94.3 | 171.2 | 156 | 0 | 0 | 107.6 | |||||
| 2 | Q | 41.3 | Very low | 38.8 | Very low | 189 Ų | 189 | 162.3 Ų | 162.3 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | 39 | 125.1 | 155.3 | -64.6 | 162.1 | 4.7 | 0 | 0 | 118.9 | ||||
| 3 | G | 34.3 | Very low | 39.5 | Very low | 64 Ų | 64 | 160.8 Ų | 160.8 | 66% | 0.66 | 86% | 0.859 | S | S | * | * | cis | 109.6 | 137 | 14.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | Y | 37.2 | Very low | 39.1 | Very low | 230 Ų | 230 | 160.2 Ų | 160.2 | 90% | 0.902 | 86% | 0.856 | S | S | * | * | trans | 92.5 | 116 | 172.3 | -64.1 | -82.7 | 0 | 0 | 0 | 116.9 | ||||
| 5 | R | 36.9 | Very low | 39 | Very low | 246 Ų | 246 | 164.3 Ų | 164.3 | 93% | 0.928 | 86% | 0.855 | S | S | * | * | cis | 90.1 | 99.1 | 19.8 | -144.8 | -171.1 | -153.9 | -166.3 | 7.9 | 117.1 | ||||
| 6 | G | 35.6 | Very low | 39.3 | Very low | 73 Ų | 73 | 162.3 Ų | 162.3 | 75% | 0.753 | 86% | 0.855 | S | S | * | * | trans | 82.3 | 172.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 7 | P | 55.1 | Low | 39 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 81% | 0.812 | 84% | 0.844 | S | S | * | * | cis | -141.8 | 175.8 | -0.9 | 39.9 | -19.8 | 0 | 0 | 0 | 117.9 | ||||
| 8 | Q | 42.2 | Very low | 38.7 | Very low | 188 Ų | 188 | 157.2 Ų | 157.2 | 88% | 0.879 | 85% | 0.847 | S | S | * | * | trans | -56.6 | 153.1 | 160.2 | -84.2 | 169.4 | -24.9 | 0 | 0 | 113.8 | ||||
| 9 | Q | 38.9 | Very low | 38.5 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -140.9 | 139.7 | 151.5 | -85.5 | -178.1 | 29.3 | 0 | 0 | 112.6 | ||||
| 10 | N | 34.7 | Very low | 38.2 | Very low | 151 Ų | 151 | 158.1 Ų | 158.1 | 81% | 0.807 | 84% | 0.844 | S | S | * | * | trans | -131.2 | 130.6 | 178.8 | -173.9 | 23.1 | 0 | 0 | 0 | 104.6 | ||||
| 11 | H | 39.2 | Very low | 38 | Very low | 187 Ų | 187 | 160 Ų | 160 | 87% | 0.866 | 85% | 0.845 | S | S | * | * | trans | -167.4 | 129.7 | 160 | -92.9 | -45.8 | 0 | 0 | 0 | 111.2 | ||||
| 12 | G | 34.2 | Very low | 37.6 | Very low | 68 Ų | 68 | 151.8 Ų | 151.8 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | -85.5 | -164.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | P | 47.3 | Very low | 37.2 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | trans | -137.6 | 164.6 | 132 | 33.1 | -17.5 | 0 | 0 | 0 | 114.3 | ||||
| 14 | N | 33.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -106.3 | 153.6 | -167.3 | -151.1 | -0.2 | 0 | 0 | 0 | 111 | ||||
| 15 | R | 38.9 | Very low | 37.5 | Very low | 221 Ų | 221 | 146.1 Ų | 146.1 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | trans | -2.7 | 162.2 | 165.3 | -77.6 | 178.9 | 171.4 | -174.7 | -1.8 | 122.4 | ||||
| 16 | P | 43.3 | Very low | 37.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | -127.2 | 153.2 | 105.2 | 37 | -30 | 0 | 0 | 0 | 113.2 | |||||
| 17 | G | 34.3 | Very low | 37.3 | Very low | 65 Ų | 65 | 142.9 Ų | 142.9 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | -104.8 | 168.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 18 | N | 32.4 | Very low | 36.2 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -153.5 | 150.7 | 147 | -145.1 | 7.1 | 0 | 0 | 0 | 112 | ||||
| 19 | H | 35.4 | Very low | 35.8 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -86.9 | 172.3 | -167.3 | -90.4 | -6.4 | 0 | 0 | 0 | 116.2 | ||||
| 20 | L | 33.3 | Very low | 35.6 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 110.5 | 149.5 | 147.8 | -61.1 | 158.3 | 0 | 0 | 0 | 115.1 | ||||
| 21 | K | 32.7 | Very low | 35.6 | Very low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | cis | -178.9 | 149.2 | -38.5 | -144.8 | -175.9 | -176.2 | -173.3 | 0 | 105.4 | ||||
| 22 | G | 29 | Very low | 35.2 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | trans | 85.7 | 144.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | D | 32 | Very low | 35.1 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | cis | -160.5 | 151.9 | 2.7 | -90.2 | -58 | 0 | 0 | 0 | 106.8 | ||||
| 24 | G | 28.8 | Very low | 34.9 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -81 | -162 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 25 | P | 49.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | cis | -131.5 | 170.7 | -15.3 | 38.4 | -22 | 0 | 0 | 0 | 112.5 | ||||
| 26 | N | 33.3 | Very low | 34.6 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -156.7 | 131.9 | 134.9 | -131 | -4.1 | 0 | 0 | 0 | 113.6 | ||||
| 27 | S | 34.5 | Very low | 34.1 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | trans | -77.2 | 139.4 | 177.7 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 28 | N | 33.3 | Very low | 34 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -159 | 110.6 | 130.1 | -112.6 | -2.7 | 0 | 0 | 0 | 109.8 | ||||
| 29 | G | 33.2 | Very low | 34.1 | Very low | 75 Ų | 75 | 141 Ų | 141 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -76.9 | 133.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 30 | Q | 35.1 | Very low | 34.2 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -130.8 | 119.4 | 145.2 | -85.1 | -177.4 | 0.7 | 0 | 0 | 107.7 | ||||
| 31 | Q | 34.6 | Very low | 34.5 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -82.3 | 127.2 | 177.4 | -176.9 | 171.8 | 9.9 | 0 | 0 | 108.4 | ||||
| 32 | L | 30.6 | Very low | 34.8 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 143.2 | 162 | -78.4 | 173.7 | 0 | 0 | 0 | 110.1 | ||||
| 33 | E | 32.5 | Very low | 35.5 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -56.8 | 162.9 | -162.1 | -69.5 | -79.5 | 124.8 | 0 | 0 | 118.3 | ||||
| 34 | P | 41.4 | Very low | 36 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 107.8 | 174.8 | 34.2 | -26.2 | 0 | 0 | 0 | 111.5 | ||||
| 35 | S | 33.4 | Very low | 37.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -153 | 109.8 | 165.5 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | E | 33.1 | Very low | 37.3 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | 172.4 | 102.6 | 117.1 | -91.4 | 175.6 | 162 | 0 | 0 | 108.8 | T38 | E36-T38 PolarHBondContact O-N 3.01Š| |||
| 37 | Q | 33.7 | Very low | 38.6 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -57.7 | 106.7 | 158.6 | -73.9 | 170.1 | -7.2 | 0 | 0 | 107 | S39 | Q37-S39 PolarHBondContact O-N 2.87Š| ||
| 38 | T | 30.9 | Very low | 39.8 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -58.7 | 102.7 | 170.7 | -41.5 | 0 | 0 | 0 | 0 | 107.5 | E36 L40 | E36-T38 PolarHBondContact O-N 3.01Å; T38-L40 PolarHBondContact O-N 2.85Å | ||
| 39 | S | 36.3 | Very low | 41.1 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -65.2 | 105.2 | 176.3 | -63.6 | 0 | 0 | 0 | 0 | 107.8 | Q37 N41 | Q37-S39 PolarHBondContact O-N 2.87Å; S39-N41 PolarHBondContact O-N 3.04Å | ||
| 40 | L | 36.1 | Very low | 42.5 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 89% | 0.885 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -70.8 | 39.4 | 173.4 | -75.1 | 164.7 | 0 | 0 | 0 | 112.4 | T38 | T38-L40 PolarHBondContact O-N 2.85Š|
| 41 | N | 39.6 | Very low | 44 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -126.4 | 42.4 | 177.5 | -82.1 | -20.4 | 0 | 0 | 0 | 110.5 | S39 G43 | S39-N41 PolarHBondContact O-N 3.04Å; N41-G43 PolarHBondContact O-N 3.02Å | ||
| 42 | A | 39.9 | Very low | 45.9 | Very low | 96 Ų | 96 | 122 Ų | 122 | 79% | 0.793 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 88.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | L44 | A42-L44 PolarHBondContact O-N 3.07Š| ||
| 43 | G | 42.3 | Very low | 48.1 | Very low | 56 Ų | 56 | 120.3 Ų | 120.3 | 58% | 0.577 | 67% | 0.669 | S | S | * | * | trans | -51.7 | 127.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N41 T45 | N41-G43 PolarHBondContact O-N 3.02Å; G43-T45 PolarHBondContact O-N 2.75Å; G43-T45 PolarHBondContact O-OG1 3.28Å; G43-T45 VanDerWaalsContact O-OG1 3.07Å | ||
| 44 | L | 43.7 | Very low | 50.3 | Low | 146 Ų | 146 | 119.1 Ų | 119.1 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | trans | -58 | 92.1 | 171.4 | -130.9 | 81.2 | 0 | 0 | 0 | 107.3 | A42 L46 | A42-L44 PolarHBondContact O-N 3.07Å; L44-L46 HydrophobicContact CB-CG 4.32Å; L44-L46 HydrophobicContact CD2-CD1 4.15Å; L44-L46 HydrophobicContact CD2-CD2 3.63Å; L44-L46 HydrophobicContact CD2-CG 3.96Å; L44-L46 HydrophobicContact CG-CD2 3.98Å; L44-L46 HydrophobicContact CG-CG 4.3Å; L44-L46 PolarHBondContact O-N 3.35Å | ||
| 45 | T | 51.2 | Low | 52 | Low | 142 Ų | 142 | 117.3 Ų | 117.3 | 87% | 0.871 | 68% | 0.678 | S | S | * | * | trans | -81.5 | 77.6 | 178.5 | -32.1 | 0 | 0 | 0 | 0 | 105.8 | G43 D47 | G43-T45 PolarHBondContact O-N 2.75Å; G43-T45 PolarHBondContact O-OG1 3.28Å; G43-T45 VanDerWaalsContact O-OG1 3.07Å; T45-D47 PolarHBondContact O-N 2.9Å | ||
| 46 | L | 54.5 | Low | 54.3 | Low | 81 Ų | 81 | 114 Ų | 114 | 42% | 0.424 | 65% | 0.652 | S | S | . | * | trans | -70.1 | 117.6 | 178.9 | -68.2 | -176.2 | 0 | 0 | 0 | 108.2 | L44 P48 F51 I113 | L44-L46 HydrophobicContact CB-CG 4.32Å; L44-L46 HydrophobicContact CD2-CD1 4.15Å; L44-L46 HydrophobicContact CD2-CD2 3.63Å; L44-L46 HydrophobicContact CD2-CG 3.96Å; L44-L46 HydrophobicContact CG-CD2 3.98Å; L44-L46 HydrophobicContact CG-CG 4.3Å; L44-L46 PolarHBondContact O-N 3.35Å; L46-P48 VanDerWaalsContact O-CD 3.22Å; L46-P48 WeakPolarHBondContact O-CD 3.47Å; L46-F51 HydrophobicContact CB-CE2 3.74Å; L46-F51 HydrophobicContact CB-CZ 3.78Å; L46-F51 HydrophobicContact CD1-CZ 3.94Å; L46-F51 HydrophobicContact CD2-CZ 3.96Å; L46-F51 HydrophobicContact CG-CZ 4.09Å; L46-I113 HydrophobicContact CD1-CD1 4.24Å | ||
| 47 | D | 60.6 | Low | 56.9 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | trans | -66.1 | 113.8 | 175.2 | -175.7 | -4.4 | 0 | 0 | 0 | 109.6 | T45 Q49 S50 F51 | T45-D47 PolarHBondContact O-N 2.9Å; D47-Q49 PolarHBondContact O-N 3.2Å; D47-Q49 PolarHBondContact OD1-N 3.03Å; D47-S50 WeakPolarHBondContact O-CB 3.1Å; D47-S50 PolarHBondContact O-N 3.46Å; D47-F51 VanDerWaalsContact O-CD2 3.26Å; D47-F51 WeakPolarHBondContact O-CD2 3.22Å; D47-F51 WeakPolarHBondContact O-CE2 3.42Å | ||
| 48 | P | 59.5 | Low | 59.6 | Low | 52 Ų | 52 | 102 Ų | 102 | 34% | 0.338 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -55.2 | -26.6 | -176.9 | -24.5 | 34.2 | 0 | 0 | 0 | 113.8 | L46 S50 I110 | L46-P48 VanDerWaalsContact O-CD 3.22Å; L46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-S50 VanDerWaalsContact C-N 3.32Å; P48-S50 PolarHBondContact O-N 3.22Å; P48-I110 HydrophobicContact CB-CD1 3.88Å |
| 49 | Q | 60.1 | Low | 62.4 | Low | 134 Ų | 134 | 98.9 Ų | 98.9 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -73.3 | -20.7 | -179 | -66.4 | -74.4 | -53.2 | 0 | 0 | 113.1 | D47 F51 | D47-Q49 PolarHBondContact O-N 3.2Å; D47-Q49 PolarHBondContact OD1-N 3.03Å; Q49-F51 VanDerWaalsContact C-N 3.28Å; Q49-F51 PolarHBondContact O-N 3.01Å |
| 50 | S | 63.1 | Low | 65 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -77.4 | -6.3 | -176.5 | -174.6 | 0 | 0 | 0 | 0 | 114.4 | D47 P48 | D47-S50 WeakPolarHBondContact O-CB 3.1Å; D47-S50 PolarHBondContact O-N 3.46Å; P48-S50 VanDerWaalsContact C-N 3.32Å; P48-S50 PolarHBondContact O-N 3.22Å |
| 51 | F | 66.4 | Low | 67.7 | Low | 54 Ų | 54 | 87.4 Ų | 87.4 | 24% | 0.237 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -106.2 | 6.3 | -168.3 | -62.3 | -74.3 | 0 | 0 | 0 | 115 | L46 D47 Q49 K53 I109 | L46-F51 HydrophobicContact CB-CE2 3.74Å; L46-F51 HydrophobicContact CB-CZ 3.78Å; L46-F51 HydrophobicContact CD1-CZ 3.94Å; L46-F51 HydrophobicContact CD2-CZ 3.96Å; L46-F51 HydrophobicContact CG-CZ 4.09Å; D47-F51 VanDerWaalsContact O-CD2 3.26Å; D47-F51 WeakPolarHBondContact O-CD2 3.22Å; D47-F51 WeakPolarHBondContact O-CE2 3.42Å; Q49-F51 VanDerWaalsContact C-N 3.28Å; Q49-F51 PolarHBondContact O-N 3.01Å; F51-K53 PolarHBondContact O-N 3.09Å; F51-I109 HydrophobicContact CB-CB 4.22Å; F51-I109 HydrophobicContact CB-CD1 4.01Å; F51-I109 HydrophobicContact CB-CG2 4Å; F51-I109 HydrophobicContact CD1-CG2 3.93Å; F51-I109 HydrophobicContact CG-CG2 4Å; F51-I109 WeakPolarHBondContact O-CD1 3.26Å |
| 52 | R | 74.7 | Confident | 70.1 | Confident | 145 Ų | 145 | 83.5 Ų | 83.5 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 123.4 | -176.5 | -166.5 | 174.7 | 179.1 | -173.6 | -0.5 | 111.2 | E56 | R52-E56 HydrophobicContact CG-CB 4.32Å; R52-E56 VanDerWaalsContact CZ-O 3.25Å; R52-E56 PolarHBondContact NE-O 2.91Å; R52-E56 PolarHBondContact NH2-O 3.21Å |
| 53 | K | 76.9 | Confident | 72.6 | Confident | 132 Ų | 132 | 78.9 Ų | 78.9 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 146.1 | 171.4 | -64 | 178.5 | -178.9 | -179.9 | 0 | 109.8 | F51 G55 E56 | F51-K53 PolarHBondContact O-N 3.09Å; K53-G55 PolarHBondContact O-N 2.63Å; K53-E56 HydrophobicContact CB-CB 4.1Å; K53-E56 WeakPolarHBondContact CB-OE2 3.38Å; K53-E56 PolarHBondContact N-OE2 2.87Å; K53-E56 VanDerWaalsContact N-OE2 3.08Å; K53-E56 VanDerWaalsContact O-CB 3.23Å; K53-E56 WeakPolarHBondContact O-CB 3.38Å; K53-E56 PolarHBondContact O-N 2.9Å |
| 54 | P | 78.3 | Confident | 75.1 | Confident | 136 Ų | 136 | 77.9 Ų | 77.9 | 88% | 0.883 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 128.8 | 175.5 | -25.4 | 34.2 | 0 | 0 | 0 | 111.2 | E56 | P54-E56 VanDerWaalsContact C-N 3.26Å; P54-E56 PolarHBondContact O-N 3.1Å |
| 55 | G | 77.6 | Confident | 77.5 | Confident | 80 Ų | 80 | 71 Ų | 71 | 83% | 0.825 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -0.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K53 K57 | K53-G55 PolarHBondContact O-N 2.63Å; G55-K57 PolarHBondContact O-N 3.28Å |
| 56 | E | 82.7 | Confident | 79.6 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 126.2 | 179.1 | -172.7 | 174.2 | -171.9 | 0 | 0 | 111.2 | R52 K53 P54 | R52-E56 HydrophobicContact CG-CB 4.32Å; R52-E56 VanDerWaalsContact CZ-O 3.25Å; R52-E56 PolarHBondContact NE-O 2.91Å; R52-E56 PolarHBondContact NH2-O 3.21Å; K53-E56 HydrophobicContact CB-CB 4.1Å; K53-E56 WeakPolarHBondContact CB-OE2 3.38Å; K53-E56 PolarHBondContact N-OE2 2.87Å; K53-E56 VanDerWaalsContact N-OE2 3.08Å; K53-E56 VanDerWaalsContact O-CB 3.23Å; K53-E56 WeakPolarHBondContact O-CB 3.38Å; K53-E56 PolarHBondContact O-N 2.9Å; P54-E56 VanDerWaalsContact C-N 3.26Å; P54-E56 PolarHBondContact O-N 3.1Å |
| 57 | K | 86.1 | Confident | 81.5 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 138.5 | 171.5 | -66.1 | 177.7 | -172.9 | 141 | 0 | 109.6 | G55 T60 E154 I163 E164 | G55-K57 PolarHBondContact O-N 3.28Å; K57-T60 HydrophobicContact CB-CG2 3.72Å; K57-T60 VanDerWaalsContact O-CG2 3.24Å; K57-T60 WeakPolarHBondContact O-CG2 3.32Å; K57-E154 IonicContact NZ-OE1 2.77Å; K57-E154 PolarHBondContact NZ-OE1 2.93Å; K57-I163 PolarHBondContact NZ-O 3.39Å; K57-E164 WeakPolarHBondContact CD-O 3.49Å |
| 58 | T | 90.1 | Very high | 83.1 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -84.2 | 154.7 | 177 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | T60 E106 | T58-T60 VanDerWaalsContact C-N 3.3Å; T58-T60 PolarHBondContact O-N 3.2Å; T58-E106 CarbonylContact C-O 3.56Å; T58-E106 VanDerWaalsContact CA-O 3.25Å; T58-E106 WeakPolarHBondContact CA-O 3.4Å; T58-E106 HydrophobicContact CG2-CG 3.92Å |
| 59 | F | 89.9 | Confident | 84.7 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 25% | 0.254 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 55 | 45.4 | 177.9 | -52.4 | -74.6 | 0 | 0 | 0 | 112.8 | N88 R104 L105 E106 | F59-N88 WeakPolarHBondContact CE1-O 3.48Å; F59-R104 VanDerWaalsContact C-CD 3.46Å; F59-R104 WeakPolarHBondContact O-CD 3.38Å; F59-R104 PolarHBondContact O-NH1 3Å; F59-L105 WeakPolarHBondContact CD1-O 3.23Å; F59-E106 HydrophobicContact CD1-CB 4.4Å; F59-E106 VanDerWaalsContact CE1-CA 3.4Å; F59-E106 HydrophobicContact CE1-CB 3.76Å; F59-E106 HydrophobicContact CE1-CG 4.27Å; F59-E106 HydrophobicContact CE2-CB 4.37Å; F59-E106 HydrophobicContact CE2-CG 3.98Å; F59-E106 HydrophobicContact CZ-CB 3.73Å; F59-E106 HydrophobicContact CZ-CG 3.77Å; F59-E106 PolarHBondContact N-O 3.21Å |
| 60 | T | 92.2 | Very high | 86.3 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | trans | -84 | 168.3 | 173.7 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | K57 T58 R62 S63 E164 | K57-T60 HydrophobicContact CB-CG2 3.72Å; K57-T60 VanDerWaalsContact O-CG2 3.24Å; K57-T60 WeakPolarHBondContact O-CG2 3.32Å; T58-T60 VanDerWaalsContact C-N 3.3Å; T58-T60 PolarHBondContact O-N 3.2Å; T60-R62 PolarHBondContact O-N 3.48Å; T60-S63 PolarHBondContact N-OG 3.42Å; T60-S63 PolarHBondContact O-N 2.89Å; T60-S63 PolarHBondContact O-OG 2.91Å; T60-E164 VanDerWaalsContact CB-OE2 3.29Å; T60-E164 WeakPolarHBondContact CB-OE2 3.16Å; T60-E164 HydrophobicContact CG2-CB 4.03Å; T60-E164 HydrophobicContact CG2-CG 4.1Å | ||
| 61 | Q | 91.9 | Very high | 87.5 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -64.5 | -20.8 | 171.6 | -74.3 | -162.5 | 77.9 | 0 | 0 | 112.5 | S63 R64 H135 E164 F184 | Q61-S63 VanDerWaalsContact C-N 3.28Å; Q61-S63 PolarHBondContact O-N 2.99Å; Q61-R64 WeakPolarHBondContact O-CB 3.38Å; Q61-R64 PolarHBondContact O-N 3.09Å; Q61-R64 VanDerWaalsContact O-N 3.12Å; Q61-H135 WeakPolarHBondContact CB-CD2 3.37Å; Q61-E164 PolarHBondContact N-OE1 3.16Å; Q61-E164 PolarHBondContact N-OE2 3.19Å; Q61-F184 PolarHBondContact NE2-O 3.41Å |
| 62 | R | 90.3 | Very high | 88.5 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -67.6 | -26.3 | 174.3 | -65.1 | -170.5 | 68.5 | -159.9 | 5.5 | 113.7 | T60 R64 R108 E183 | T60-R62 PolarHBondContact O-N 3.48Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R62-R108 WeakPolarHBondContact O-CD 3.31Å; R62-R108 PolarHBondContact O-NH1 3.21Å; R62-E183 WeakPolarHBondContact CD-OE2 3.46Å; R62-E183 WeakPolarHBondContact CG-OE2 2.97Å |
| 63 | S | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -95.6 | 12.9 | 173 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | T60 Q61 L105 T107 | T60-S63 PolarHBondContact N-OG 3.42Å; T60-S63 PolarHBondContact O-N 2.89Å; T60-S63 PolarHBondContact O-OG 2.91Å; Q61-S63 VanDerWaalsContact C-N 3.28Å; Q61-S63 PolarHBondContact O-N 2.99Å; S63-L105 VanDerWaalsContact CB-O 3.27Å; S63-L105 WeakPolarHBondContact CB-O 3.25Å; S63-L105 PolarHBondContact O-N 2.55Å; S63-L105 PolarHBondContact OG-O 3.4Å; S63-T107 VanDerWaalsContact CB-C 3.47Å; S63-T107 WeakPolarHBondContact CB-O 3.27Å |
| 64 | R | 94.6 | Very high | 89.6 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.8 | 175.1 | -163.3 | 172.9 | -173.8 | -94 | -0.5 | 110.2 | Q61 R62 E91 F102 I103 R104 A133 | Q61-R64 WeakPolarHBondContact O-CB 3.38Å; Q61-R64 PolarHBondContact O-N 3.09Å; Q61-R64 VanDerWaalsContact O-N 3.12Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R64-E91 IonicContact CZ-OE1 2.78Å; R64-E91 IonicContact NE-OE1 3.68Å; R64-E91 PolarHBondContact NE-OE1 3.46Å; R64-E91 IonicContact NE-OE2 3.94Å; R64-E91 PolarHBondContact NE-OE2 3.1Å; R64-E91 IonicContact NH2-OE1 2.62Å; R64-E91 PolarHBondContact NH2-OE1 3.42Å; R64-F102 VanDerWaalsContact CZ-CB 3.48Å; R64-F102 VanDerWaalsContact NH1-CE1 3.34Å; R64-F102 VanDerWaalsContact NH1-CG 3.25Å; R64-F102 VanDerWaalsContact NH2-CB 3.28Å; R64-F102 VanDerWaalsContact NH2-CG 3.26Å; R64-I103 CarbonylContact C-O 3.55Å; R64-I103 WeakPolarHBondContact CA-O 3.47Å; R64-R104 HydrophobicContact CB-CG 4.26Å; R64-R104 HydrophobicContact CG-CB 4.38Å; R64-A133 HydrophobicContact CB-CB 4.09Å; R64-A133 HydrophobicContact CG-CB 3.95Å; R64-A133 WeakPolarHBondContact O-CB 3.46Å; R64-A133 PolarHBondContact O-N 3.03Å |
| 65 | L | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141 | 177 | -62.6 | 174.2 | 0 | 0 | 0 | 110.1 | F83 F102 I103 L105 A111 A114 R115 V130 R131 F132 | L65-F83 HydrophobicContact CD1-CE1 3.8Å; L65-F102 VanDerWaalsContact O-CA 3.24Å; L65-F102 WeakPolarHBondContact O-CA 3.2Å; L65-I103 HydrophobicContact CB-CG2 3.85Å; L65-I103 HydrophobicContact CD1-CG2 4.43Å; L65-I103 PolarHBondContact N-O 3.18Å; L65-I103 PolarHBondContact O-N 2.81Å; L65-L105 HydrophobicContact CD1-CD1 3.69Å; L65-A111 HydrophobicContact CD1-CB 4.22Å; L65-A111 HydrophobicContact CD2-CB 4.15Å; L65-A111 HydrophobicContact CG-CB 4.1Å; L65-A114 HydrophobicContact CD1-CB 4Å; L65-R115 HydrophobicContact CD2-CB 4.22Å; L65-V130 HydrophobicContact CB-CG1 4.24Å; L65-V130 HydrophobicContact CD1-CG1 3.95Å; L65-V130 HydrophobicContact CD2-CG1 4.37Å; L65-V130 HydrophobicContact CG-CG1 4.43Å; L65-R131 CarbonylContact C-O 3.38Å; L65-R131 VanDerWaalsContact CA-O 3.26Å; L65-R131 WeakPolarHBondContact CA-O 3.36Å; L65-F132 HydrophobicContact CD2-CD1 3.56Å; L65-F132 HydrophobicContact CD2-CE1 3.5Å; L65-F132 HydrophobicContact CD2-CG 4.25Å; L65-F132 HydrophobicContact CD2-CZ 4.12Å |
| 66 | F | 94.9 | Very high | 90.8 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 27% | 0.268 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.7 | 164.1 | 170.6 | -98.8 | 0 | 0 | 0 | 108.8 | F100 F102 V130 R131 | F66-F100 HydrophobicContact CD2-CD2 4.27Å; F66-F100 HydrophobicContact CE2-CB 3.58Å; F66-F100 AromaticContact CE2-CD2 3.68Å; F66-F100 HydrophobicContact CE2-CD2 3.68Å; F66-F100 AromaticContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CZ-CB 3.8Å; F66-F100 HydrophobicContact CZ-CG 4.33Å; F66-F102 HydrophobicContact CB-CD1 4.09Å; F66-F102 HydrophobicContact CB-CE1 3.89Å; F66-F102 HydrophobicContact CD2-CD1 4.17Å; F66-F102 AromaticContact CD2-CE1 3.57Å; F66-F102 HydrophobicContact CD2-CE1 3.57Å; F66-F102 AromaticContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CG-CE1 4.21Å; F66-V130 WeakPolarHBondContact O-CA 3.44Å; F66-R131 HydrophobicContact CD1-CB 4.43Å; F66-R131 PolarHBondContact N-O 3.19Å; F66-R131 PolarHBondContact O-N 3.11Å |
| 67 | V | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 105.5 | 175.8 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | L70 L79 F83 F100 G101 I103 I128 R129 V130 | V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 HydrophobicContact CG1-CD2 3.61Å; V67-L70 HydrophobicContact CG1-CG 4.08Å; V67-L79 HydrophobicContact CG1-CD1 4.21Å; V67-L79 HydrophobicContact CG2-CD1 4.47Å; V67-F83 HydrophobicContact CG2-CE2 3.98Å; V67-F83 HydrophobicContact CG2-CZ 3.77Å; V67-F100 CarbonylContact O-C 3.51Å; V67-F100 WeakPolarHBondContact O-CA 3.26Å; V67-F100 WeakPolarHBondContact O-CB 3.35Å; V67-G101 PolarHBondContact N-O 2.81Å; V67-G101 PolarHBondContact O-N 3.06Å; V67-I103 HydrophobicContact CG2-CG2 4.27Å; V67-I128 HydrophobicContact CG1-CB 4.33Å; V67-I128 HydrophobicContact CG1-CD1 4.27Å; V67-R129 CarbonylContact C-O 3.58Å; V67-R129 WeakPolarHBondContact CA-O 3.19Å; V67-V130 HydrophobicContact CG1-CG2 4.29Å; V67-V130 HydrophobicContact CG2-CG2 4.47Å |
| 68 | G | 93.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 171.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | L70 R129 | G68-L70 PolarHBondContact O-N 3.33Å; G68-R129 PolarHBondContact N-O 3.22Å; G68-R129 PolarHBondContact O-N 2.67Å |
| 69 | N | 92.2 | Very high | 91.5 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 56.6 | 31.5 | -177.3 | -161.1 | 34.2 | 0 | 0 | 0 | 113.7 | G99 P127 | N69-G99 PolarHBondContact N-O 2.85Å; N69-P127 PolarHBondContact ND2-O 3.02Å |
| 70 | L | 93.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 139.7 | 174.5 | -68.2 | 176 | 0 | 0 | 0 | 109.8 | V67 G68 L79 V94 G99 I128 | V67-L70 HydrophobicContact CG1-CD1 4.44Å; V67-L70 HydrophobicContact CG1-CD2 3.61Å; V67-L70 HydrophobicContact CG1-CG 4.08Å; G68-L70 PolarHBondContact O-N 3.33Å; L70-L79 HydrophobicContact CD2-CD1 4.26Å; L70-V94 HydrophobicContact CD1-CG1 4.34Å; L70-G99 WeakPolarHBondContact CB-O 3.36Å; L70-G99 PolarHBondContact N-O 2.75Å; L70-I128 HydrophobicContact CD2-CG2 4Å |
| 71 | P | 89.8 | Confident | 91.6 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -60 | 151.6 | 171.5 | 5.3 | -7.4 | 0 | 0 | 0 | 111.7 | G73 V74 F123 K124 | P71-G73 PolarHBondContact O-N 3.19Å; P71-V74 HydrophobicContact CB-CG2 4.07Å; P71-V74 HydrophobicContact CG-CG2 3.57Å; P71-V74 WeakPolarHBondContact O-CG2 3.44Å; P71-V74 PolarHBondContact O-N 3.33Å; P71-F123 HydrophobicContact CG-CD1 3.93Å; P71-F123 HydrophobicContact CG-CE1 4.42Å; P71-K124 HydrophobicContact CB-CB 4.48Å; P71-K124 HydrophobicContact CG-CB 3.91Å; P71-K124 HydrophobicContact CG-CD 4.31Å |
| 72 | T | 87.4 | Confident | 91.6 | Very high | 124 Ų | 124 | 48.3 Ų | 48.3 | 76% | 0.761 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 134.1 | 174.7 | 44.5 | 0 | 0 | 0 | 0 | 110 | ||
| 73 | G | 84.1 | Confident | 91.7 | Very high | 49 Ų | 49 | 45.1 Ų | 45.1 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 5.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P71 T75 | P71-G73 PolarHBondContact O-N 3.19Å; G73-T75 PolarHBondContact O-N 3.04Å |
| 74 | V | 89.3 | Confident | 91.5 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | trans | -60.5 | 135.2 | 169.9 | 171 | 0 | 0 | 0 | 0 | 110.5 | P71 E78 F123 | P71-V74 HydrophobicContact CB-CG2 4.07Å; P71-V74 HydrophobicContact CG-CG2 3.57Å; P71-V74 WeakPolarHBondContact O-CG2 3.44Å; P71-V74 PolarHBondContact O-N 3.33Å; V74-E78 HydrophobicContact CG1-CB 4.4Å; V74-F123 HydrophobicContact CG1-CE1 4.15Å; V74-F123 HydrophobicContact CG2-CD1 4.28Å; V74-F123 HydrophobicContact CG2-CE1 3.67Å | ||
| 75 | T | 91.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | trans | -99.7 | 161.1 | 176 | 66.3 | 0 | 0 | 0 | 0 | 111 | G73 E77 E78 L79 | G73-T75 PolarHBondContact O-N 3.04Å; T75-E77 VanDerWaalsContact C-N 3.26Å; T75-E77 PolarHBondContact O-N 3.36Å; T75-E78 PolarHBondContact O-N 3.44Å; T75-E78 WeakPolarHBondContact OG1-CG 3.37Å; T75-E78 PolarHBondContact OG1-N 2.87Å; T75-L79 PolarHBondContact O-N 3.34Å | ||
| 76 | E | 90.9 | Very high | 91.1 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 176.3 | -64.7 | -180 | 169.9 | 0 | 0 | 111.3 | E78 L79 V80 I92 V94 | E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 3.47Å; E76-L79 WeakPolarHBondContact O-CB 3.44Å; E76-L79 PolarHBondContact O-N 3.48Å; E76-L79 VanDerWaalsContact O-N 3.09Å; E76-V80 WeakPolarHBondContact O-CG2 3.27Å; E76-V80 PolarHBondContact O-N 3.42Å; E76-I92 HydrophobicContact CB-CG2 3.82Å; E76-I92 HydrophobicContact CG-CG2 4.04Å; E76-V94 HydrophobicContact CG-CB 3.97Å; E76-V94 HydrophobicContact CG-CG2 3.84Å |
| 77 | E | 91.3 | Very high | 90.5 | Very high | 138 Ų | 138 | 50.8 Ų | 50.8 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.4 | -38.4 | 177.1 | -63.2 | 161.7 | -164.5 | 0 | 0 | 113.1 | T75 V80 K81 | T75-E77 VanDerWaalsContact C-N 3.26Å; T75-E77 PolarHBondContact O-N 3.36Å; E77-V80 PolarHBondContact O-N 3.31Å; E77-K81 WeakPolarHBondContact O-CG 3.26Å; E77-K81 PolarHBondContact O-N 3.37Å |
| 78 | E | 91.8 | Very high | 90 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.4 | -71.6 | 178.8 | 165.3 | 0 | 0 | 111.4 | V74 T75 E76 V80 K81 L82 F123 K124 | V74-E78 HydrophobicContact CG1-CB 4.4Å; T75-E78 PolarHBondContact O-N 3.44Å; T75-E78 WeakPolarHBondContact OG1-CG 3.37Å; T75-E78 PolarHBondContact OG1-N 2.87Å; E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 3.47Å; E78-V80 VanDerWaalsContact C-N 3.35Å; E78-K81 PolarHBondContact O-N 3.36Å; E78-L82 PolarHBondContact O-N 2.89Å; E78-F123 HydrophobicContact CB-CZ 4.21Å; E78-K124 IonicContact OE1-NZ 3.06Å; E78-K124 PolarHBondContact OE1-NZ 3.28Å; E78-K124 IonicContact OE2-NZ 3.56Å; E78-K124 PolarHBondContact OE2-NZ 3.27Å |
| 79 | L | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 175.3 | -159.9 | 68.2 | 0 | 0 | 0 | 110.9 | V67 L70 T75 E76 K81 L82 F83 I92 V94 | V67-L79 HydrophobicContact CG1-CD1 4.21Å; V67-L79 HydrophobicContact CG2-CD1 4.47Å; L70-L79 HydrophobicContact CD2-CD1 4.26Å; T75-L79 PolarHBondContact O-N 3.34Å; E76-L79 WeakPolarHBondContact O-CB 3.44Å; E76-L79 PolarHBondContact O-N 3.48Å; E76-L79 VanDerWaalsContact O-N 3.09Å; L79-K81 PolarHBondContact O-N 3.47Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 PolarHBondContact O-N 3.47Å; L79-F83 HydrophobicContact CD1-CD2 4.16Å; L79-F83 HydrophobicContact CD1-CE2 3.81Å; L79-F83 HydrophobicContact CG-CD2 4.13Å; L79-F83 HydrophobicContact CG-CE2 4.16Å; L79-F83 WeakPolarHBondContact O-CD2 3.23Å; L79-F83 PolarHBondContact O-N 3.09Å; L79-F83 VanDerWaalsContact O-N 3.09Å; L79-I92 HydrophobicContact CD2-CG2 4.27Å; L79-V94 HydrophobicContact CD2-CG2 3.94Å |
| 80 | V | 91.8 | Very high | 89.6 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | E76 E77 E78 L82 F83 A84 I92 | E76-V80 WeakPolarHBondContact O-CG2 3.27Å; E76-V80 PolarHBondContact O-N 3.42Å; E77-V80 PolarHBondContact O-N 3.31Å; E78-V80 VanDerWaalsContact C-N 3.35Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 3.17Å; V80-F83 CarbonylContact O-C 3.42Å; V80-F83 PolarHBondContact O-N 3.19Å; V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-A84 PolarHBondContact O-N 3.24Å; V80-I92 HydrophobicContact CG2-CD1 3.28Å; V80-I92 HydrophobicContact CG2-CG1 4.03Å |
| 81 | K | 92.1 | Very high | 89.3 | Confident | 161 Ų | 161 | 61 Ų | 61 | 70% | 0.7 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.8 | -38.4 | 178.8 | -73.5 | 172.5 | -176.1 | 173.8 | 0 | 112.2 | E77 E78 L79 | E77-K81 WeakPolarHBondContact O-CG 3.26Å; E77-K81 PolarHBondContact O-N 3.37Å; E78-K81 PolarHBondContact O-N 3.36Å; L79-K81 PolarHBondContact O-N 3.47Å |
| 82 | L | 91.1 | Very high | 89.4 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 178.4 | -175 | 64.3 | 0 | 0 | 0 | 112.4 | E78 L79 V80 L118 F121 F123 I128 | E78-L82 PolarHBondContact O-N 2.89Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 PolarHBondContact O-N 3.47Å; V80-L82 VanDerWaalsContact C-N 3.27Å; V80-L82 PolarHBondContact O-N 3.17Å; L82-L118 HydrophobicContact CD1-CD2 3.98Å; L82-L118 HydrophobicContact CD2-CD1 4.33Å; L82-L118 HydrophobicContact CG-CD1 4.01Å; L82-L118 HydrophobicContact CG-CD2 4.17Å; L82-F121 HydrophobicContact CD1-CD1 4.19Å; L82-F121 HydrophobicContact CD1-CE1 3.83Å; L82-F123 HydrophobicContact CD2-CD2 4.43Å; L82-I128 HydrophobicContact CD2-CD1 3.64Å |
| 83 | F | 92.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -94.6 | -4.2 | -178.4 | -77.6 | -97.2 | 0 | 0 | 0 | 114.3 | L65 V67 L79 V80 K85 Y86 I103 L105 A114 L118 V130 | L65-F83 HydrophobicContact CD1-CE1 3.8Å; V67-F83 HydrophobicContact CG2-CE2 3.98Å; V67-F83 HydrophobicContact CG2-CZ 3.77Å; L79-F83 HydrophobicContact CD1-CD2 4.16Å; L79-F83 HydrophobicContact CD1-CE2 3.81Å; L79-F83 HydrophobicContact CG-CD2 4.13Å; L79-F83 HydrophobicContact CG-CE2 4.16Å; L79-F83 WeakPolarHBondContact O-CD2 3.23Å; L79-F83 PolarHBondContact O-N 3.09Å; L79-F83 VanDerWaalsContact O-N 3.09Å; V80-F83 CarbonylContact O-C 3.42Å; V80-F83 PolarHBondContact O-N 3.19Å; F83-K85 PolarHBondContact O-N 3.31Å; F83-K85 VanDerWaalsContact O-N 3.09Å; F83-Y86 HydrophobicContact CB-CD2 4.4Å; F83-Y86 AromaticContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CE2 4.34Å; F83-Y86 WeakPolarHBondContact O-CD2 3.38Å; F83-Y86 PolarHBondContact O-N 2.99Å; F83-I103 HydrophobicContact CB-CD1 3.35Å; F83-I103 HydrophobicContact CD1-CD1 3.87Å; F83-I103 HydrophobicContact CD1-CG2 4.09Å; F83-I103 HydrophobicContact CD2-CD1 3.75Å; F83-I103 HydrophobicContact CD2-CG2 4.48Å; F83-I103 HydrophobicContact CE1-CG2 3.84Å; F83-I103 HydrophobicContact CE2-CG2 4.26Å; F83-I103 HydrophobicContact CG-CD1 3.38Å; F83-I103 HydrophobicContact CG-CG2 4.41Å; F83-I103 HydrophobicContact CZ-CG2 3.93Å; F83-L105 HydrophobicContact CD1-CD1 4.3Å; F83-A114 HydrophobicContact CD1-CB 4.15Å; F83-A114 HydrophobicContact CE1-CB 4.07Å; F83-L118 HydrophobicContact CD1-CD1 3.79Å; F83-L118 HydrophobicContact CD2-CD1 3.96Å; F83-L118 HydrophobicContact CE1-CD1 3.5Å; F83-L118 HydrophobicContact CE2-CD1 3.68Å; F83-L118 HydrophobicContact CG-CD1 4.02Å; F83-L118 HydrophobicContact CZ-CD1 3.44Å; F83-L118 VanDerWaalsContact CZ-CD1 3.44Å; F83-V130 HydrophobicContact CZ-CG1 4.34Å; F83-V130 HydrophobicContact CZ-CG2 4.38Å |
| 84 | A | 90.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -56.8 | -29.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V80 Y86 G87 | V80-A84 WeakPolarHBondContact O-CB 3.39Å; V80-A84 PolarHBondContact O-N 3.24Å; A84-Y86 PolarHBondContact O-N 2.94Å; A84-G87 PolarHBondContact O-N 3.05Å |
| 85 | K | 90.1 | Very high | 90.3 | Very high | 112 Ų | 112 | 61 Ų | 61 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -64.3 | -18.6 | 175.7 | 57.4 | 162.2 | 155.7 | 161.9 | 0 | 114.2 | F83 E117 | F83-K85 PolarHBondContact O-N 3.31Å; F83-K85 VanDerWaalsContact O-N 3.09Å; K85-E117 IonicContact NZ-OE1 2.63Å; K85-E117 PolarHBondContact NZ-OE1 2.68Å; K85-E117 IonicContact NZ-OE2 2.87Å; K85-E117 PolarHBondContact NZ-OE2 2.65Å |
| 86 | Y | 89.1 | Confident | 90.2 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -102 | 16.4 | -179.9 | -47.1 | -68.7 | 0 | 0 | 0 | 112.1 | F83 A84 I110 I113 A114 E117 L118 | F83-Y86 HydrophobicContact CB-CD2 4.4Å; F83-Y86 AromaticContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CD2 3.99Å; F83-Y86 HydrophobicContact CD1-CE2 4.34Å; F83-Y86 WeakPolarHBondContact O-CD2 3.38Å; F83-Y86 PolarHBondContact O-N 2.99Å; A84-Y86 PolarHBondContact O-N 2.94Å; Y86-I110 WeakPolarHBondContact O-CG2 3.36Å; Y86-I113 HydrophobicContact CD1-CG2 4.18Å; Y86-I113 HydrophobicContact CE1-CG2 3.97Å; Y86-A114 HydrophobicContact CD1-CB 4.02Å; Y86-A114 HydrophobicContact CD2-CB 3.49Å; Y86-A114 VanDerWaalsContact CD2-CB 3.49Å; Y86-A114 HydrophobicContact CE1-CB 4.18Å; Y86-A114 HydrophobicContact CE2-CB 3.64Å; Y86-A114 HydrophobicContact CG-CB 3.65Å; Y86-E117 WeakPolarHBondContact CE1-OE2 3.37Å; Y86-E117 WeakPolarHBondContact OH-CB 3.38Å; Y86-E117 PolarHBondContact OH-OE2 3.04Å; Y86-L118 HydrophobicContact CE2-CD1 3.61Å; Y86-L118 HydrophobicContact CE2-CG 3.89Å; Y86-L118 WeakPolarHBondContact OH-CG 3.33Å |
| 87 | G | 84 | Confident | 90 | Very high | 26 Ų | 26 | 67.5 Ų | 67.5 | 27% | 0.268 | 36% | 0.356 | S | S | . | . | trans | 91.4 | -167.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A84 | A84-G87 PolarHBondContact O-N 3.05Š| ||
| 88 | N | 83 | Confident | 89.9 | Confident | 138 Ų | 138 | 69.9 Ų | 69.9 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | trans | -81 | 133.1 | -171.6 | -67 | -29.1 | 0 | 0 | 0 | 111.2 | F59 | F59-N88 WeakPolarHBondContact CE1-O 3.48Š| ||
| 89 | A | 88 | Confident | 89.9 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | trans | -88.2 | 132.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I92 I103 R104 | A89-I92 HydrophobicContact CB-CD1 3.82Å; A89-I92 HydrophobicContact CB-CG1 3.9Å; A89-I103 HydrophobicContact CB-CD1 3.75Å; A89-I103 HydrophobicContact CB-CG1 3.6Å; A89-R104 CarbonylContact C-O 3.6Å; A89-R104 VanDerWaalsContact CA-O 3.31Å; A89-R104 WeakPolarHBondContact CA-O 3.4Å | ||
| 90 | S | 88.8 | Confident | 90 | Very high | 77 Ų | 77 | 69 Ų | 69 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -86.3 | -26.9 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 113 | R104 | S90-R104 PolarHBondContact N-O 3.1Š|
| 91 | E | 87.6 | Confident | 90.2 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 128.6 | -179.7 | -177.5 | -163.4 | 151.9 | 0 | 0 | 107.5 | R64 I103 R104 | R64-E91 IonicContact CZ-OE1 2.78Å; R64-E91 IonicContact NE-OE1 3.68Å; R64-E91 PolarHBondContact NE-OE1 3.46Å; R64-E91 IonicContact NE-OE2 3.94Å; R64-E91 PolarHBondContact NE-OE2 3.1Å; R64-E91 IonicContact NH2-OE1 2.62Å; R64-E91 PolarHBondContact NH2-OE1 3.42Å; E91-I103 CarbonylContact O-C 3.46Å; E91-I103 VanDerWaalsContact O-CA 3.31Å; E91-I103 WeakPolarHBondContact O-CA 3.16Å; E91-R104 HydrophobicContact CB-CB 3.8Å; E91-R104 PolarHBondContact O-N 2.9Å; E91-R104 IonicContact OE2-CZ 3.54Å; E91-R104 VanDerWaalsContact OE2-CZ 3.25Å; E91-R104 IonicContact OE2-NE 3.22Å; E91-R104 PolarHBondContact OE2-NE 3.2Å; E91-R104 IonicContact OE2-NH2 2.87Å; E91-R104 PolarHBondContact OE2-NH2 2.78Å |
| 92 | I | 92.1 | Very high | 90.3 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 23% | 0.226 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.1 | 169.3 | -61.9 | 125.4 | 0 | 0 | 0 | 107 | E76 L79 V80 A89 F102 I103 | E76-I92 HydrophobicContact CB-CG2 3.82Å; E76-I92 HydrophobicContact CG-CG2 4.04Å; L79-I92 HydrophobicContact CD2-CG2 4.27Å; V80-I92 HydrophobicContact CG2-CD1 3.28Å; V80-I92 HydrophobicContact CG2-CG1 4.03Å; A89-I92 HydrophobicContact CB-CD1 3.82Å; A89-I92 HydrophobicContact CB-CG1 3.9Å; I92-F102 WeakPolarHBondContact CA-O 3.43Å; I92-I103 HydrophobicContact CG1-CD1 4.4Å; I92-I103 HydrophobicContact CG1-CG1 4.08Å |
| 93 | F | 93.6 | Very high | 90.5 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.1 | 174.9 | 171.1 | -93.7 | 0 | 0 | 0 | 108.7 | N95 F100 G101 F102 | F93-N95 HydrophobicContact CE1-CB 3.96Å; F93-N95 HydrophobicContact CZ-CB 4.28Å; F93-F100 HydrophobicContact CE1-CE2 4.16Å; F93-G101 CarbonylContact O-C 3.56Å; F93-G101 WeakPolarHBondContact O-CA 3.5Å; F93-F102 AromaticContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CE1-CD2 4.5Å; F93-F102 PolarHBondContact N-O 3.25Å; F93-F102 PolarHBondContact O-N 2.89Å |
| 94 | V | 94.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.8 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | L70 E76 L79 K96 | L70-V94 HydrophobicContact CD1-CG1 4.34Å; E76-V94 HydrophobicContact CG-CB 3.97Å; E76-V94 HydrophobicContact CG-CG2 3.84Å; L79-V94 HydrophobicContact CD2-CG2 3.94Å; V94-K96 HydrophobicContact CG1-CG 4.24Å |
| 95 | N | 92.7 | Very high | 90.8 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 101.2 | 167.8 | -170.4 | -48.9 | 0 | 0 | 0 | 109.4 | F93 D97 R98 G99 F100 | F93-N95 HydrophobicContact CE1-CB 3.96Å; F93-N95 HydrophobicContact CZ-CB 4.28Å; N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.91Å; N95-D97 PolarHBondContact OD1-N 3.31Å; N95-R98 PolarHBondContact OD1-N 2.94Å; N95-G99 PolarHBondContact O-N 2.7Å; N95-F100 HydrophobicContact CB-CD1 4.25Å; N95-F100 HydrophobicContact CB-CD2 4.49Å; N95-F100 HydrophobicContact CB-CE1 3.86Å; N95-F100 HydrophobicContact CB-CE2 4.1Å; N95-F100 HydrophobicContact CB-CZ 3.77Å; N95-F100 PolarHBondContact N-O 3.27Å; N95-F100 PolarHBondContact O-N 2.78Å |
| 96 | K | 88.7 | Confident | 90.8 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.9 | -176.3 | -62.3 | 179.8 | -177.7 | 177.9 | 0 | 113 | V94 | V94-K96 HydrophobicContact CG1-CG 4.24Š|
| 97 | D | 87.3 | Confident | 90.8 | Very high | 157 Ų | 157 | 54.5 Ų | 54.5 | 84% | 0.84 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -37.3 | -176.4 | -56 | -42.1 | 0 | 0 | 0 | 111.7 | N95 | N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.91Å; N95-D97 PolarHBondContact OD1-N 3.31Å |
| 98 | R | 89.1 | Confident | 91.1 | Very high | 188 Ų | 188 | 55.5 Ų | 55.5 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -2.1 | -177.3 | -64.3 | -177.7 | 61.7 | -160.7 | -2.5 | 113.5 | N95 F100 | N95-R98 PolarHBondContact OD1-N 2.94Å; R98-F100 HydrophobicContact CB-CD1 3.48Å; R98-F100 VanDerWaalsContact CB-CD1 3.48Å; R98-F100 HydrophobicContact CB-CE1 3.38Å; R98-F100 HydrophobicContact CG-CE1 4.16Å; R98-F100 PolarHBondContact O-N 2.65Å |
| 99 | G | 91.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N69 L70 N95 | N69-G99 PolarHBondContact N-O 2.85Å; L70-G99 WeakPolarHBondContact CB-O 3.36Å; L70-G99 PolarHBondContact N-O 2.75Å; N95-G99 PolarHBondContact O-N 2.7Å |
| 100 | F | 94.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 160.2 | 173.3 | 74.5 | -93.8 | 0 | 0 | 0 | 112 | F66 V67 F93 N95 R98 F102 | F66-F100 HydrophobicContact CD2-CD2 4.27Å; F66-F100 HydrophobicContact CE2-CB 3.58Å; F66-F100 AromaticContact CE2-CD2 3.68Å; F66-F100 HydrophobicContact CE2-CD2 3.68Å; F66-F100 AromaticContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CE2-CG 3.74Å; F66-F100 HydrophobicContact CZ-CB 3.8Å; F66-F100 HydrophobicContact CZ-CG 4.33Å; V67-F100 CarbonylContact O-C 3.51Å; V67-F100 WeakPolarHBondContact O-CA 3.26Å; V67-F100 WeakPolarHBondContact O-CB 3.35Å; F93-F100 HydrophobicContact CE1-CE2 4.16Å; N95-F100 HydrophobicContact CB-CD1 4.25Å; N95-F100 HydrophobicContact CB-CD2 4.49Å; N95-F100 HydrophobicContact CB-CE1 3.86Å; N95-F100 HydrophobicContact CB-CE2 4.1Å; N95-F100 HydrophobicContact CB-CZ 3.77Å; N95-F100 PolarHBondContact N-O 3.27Å; N95-F100 PolarHBondContact O-N 2.78Å; R98-F100 HydrophobicContact CB-CD1 3.48Å; R98-F100 VanDerWaalsContact CB-CD1 3.48Å; R98-F100 HydrophobicContact CB-CE1 3.38Å; R98-F100 HydrophobicContact CG-CE1 4.16Å; R98-F100 PolarHBondContact O-N 2.65Å; F100-F102 HydrophobicContact CD2-CE2 4.07Å; F100-F102 HydrophobicContact CD2-CZ 4.48Å; F100-F102 HydrophobicContact CE2-CD2 4.29Å; F100-F102 AromaticContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CZ 4.27Å |
| 101 | G | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 174.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V67 F93 | V67-G101 PolarHBondContact N-O 2.81Å; V67-G101 PolarHBondContact O-N 3.06Å; F93-G101 CarbonylContact O-C 3.56Å; F93-G101 WeakPolarHBondContact O-CA 3.5Å |
| 102 | F | 95.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.7 | 170.9 | -64.2 | -77.6 | 0 | 0 | 0 | 109.6 | R64 L65 F66 I92 F93 F100 A133 | R64-F102 VanDerWaalsContact CZ-CB 3.48Å; R64-F102 VanDerWaalsContact NH1-CE1 3.34Å; R64-F102 VanDerWaalsContact NH1-CG 3.25Å; R64-F102 VanDerWaalsContact NH2-CB 3.28Å; R64-F102 VanDerWaalsContact NH2-CG 3.26Å; L65-F102 VanDerWaalsContact O-CA 3.24Å; L65-F102 WeakPolarHBondContact O-CA 3.2Å; F66-F102 HydrophobicContact CB-CD1 4.09Å; F66-F102 HydrophobicContact CB-CE1 3.89Å; F66-F102 HydrophobicContact CD2-CD1 4.17Å; F66-F102 AromaticContact CD2-CE1 3.57Å; F66-F102 HydrophobicContact CD2-CE1 3.57Å; F66-F102 AromaticContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CD2-CZ 3.87Å; F66-F102 HydrophobicContact CG-CE1 4.21Å; I92-F102 WeakPolarHBondContact CA-O 3.43Å; F93-F102 AromaticContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CD1-CD2 3.84Å; F93-F102 HydrophobicContact CE1-CD2 4.5Å; F93-F102 PolarHBondContact N-O 3.25Å; F93-F102 PolarHBondContact O-N 2.89Å; F100-F102 HydrophobicContact CD2-CE2 4.07Å; F100-F102 HydrophobicContact CD2-CZ 4.48Å; F100-F102 HydrophobicContact CE2-CD2 4.29Å; F100-F102 AromaticContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CE2 3.64Å; F100-F102 HydrophobicContact CE2-CZ 4.27Å; F102-A133 HydrophobicContact CD1-CB 3.95Å; F102-A133 HydrophobicContact CE1-CB 3.93Å |
| 103 | I | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.2 | 173.4 | -169.6 | 173.4 | 0 | 0 | 0 | 109.6 | R64 L65 V67 F83 A89 E91 I92 L105 | R64-I103 CarbonylContact C-O 3.55Å; R64-I103 WeakPolarHBondContact CA-O 3.47Å; L65-I103 HydrophobicContact CB-CG2 3.85Å; L65-I103 HydrophobicContact CD1-CG2 4.43Å; L65-I103 PolarHBondContact N-O 3.18Å; L65-I103 PolarHBondContact O-N 2.81Å; V67-I103 HydrophobicContact CG2-CG2 4.27Å; F83-I103 HydrophobicContact CB-CD1 3.35Å; F83-I103 HydrophobicContact CD1-CD1 3.87Å; F83-I103 HydrophobicContact CD1-CG2 4.09Å; F83-I103 HydrophobicContact CD2-CD1 3.75Å; F83-I103 HydrophobicContact CD2-CG2 4.48Å; F83-I103 HydrophobicContact CE1-CG2 3.84Å; F83-I103 HydrophobicContact CE2-CG2 4.26Å; F83-I103 HydrophobicContact CG-CD1 3.38Å; F83-I103 HydrophobicContact CG-CG2 4.41Å; F83-I103 HydrophobicContact CZ-CG2 3.93Å; A89-I103 HydrophobicContact CB-CD1 3.75Å; A89-I103 HydrophobicContact CB-CG1 3.6Å; E91-I103 CarbonylContact O-C 3.46Å; E91-I103 VanDerWaalsContact O-CA 3.31Å; E91-I103 WeakPolarHBondContact O-CA 3.16Å; I92-I103 HydrophobicContact CG1-CD1 4.4Å; I92-I103 HydrophobicContact CG1-CG1 4.08Å; I103-L105 HydrophobicContact CD1-CD2 4.3Å; I103-L105 HydrophobicContact CG1-CD2 4.47Å |
| 104 | R | 94.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.7 | 177.7 | -163.4 | -171.4 | -55.9 | -155.4 | -3.4 | 110.8 | F59 R64 A89 S90 E91 | F59-R104 VanDerWaalsContact C-CD 3.46Å; F59-R104 WeakPolarHBondContact O-CD 3.38Å; F59-R104 PolarHBondContact O-NH1 3Å; R64-R104 HydrophobicContact CB-CG 4.26Å; R64-R104 HydrophobicContact CG-CB 4.38Å; A89-R104 CarbonylContact C-O 3.6Å; A89-R104 VanDerWaalsContact CA-O 3.31Å; A89-R104 WeakPolarHBondContact CA-O 3.4Å; S90-R104 PolarHBondContact N-O 3.1Å; E91-R104 HydrophobicContact CB-CB 3.8Å; E91-R104 PolarHBondContact O-N 2.9Å; E91-R104 IonicContact OE2-CZ 3.54Å; E91-R104 VanDerWaalsContact OE2-CZ 3.25Å; E91-R104 IonicContact OE2-NE 3.22Å; E91-R104 PolarHBondContact OE2-NE 3.2Å; E91-R104 IonicContact OE2-NH2 2.87Å; E91-R104 PolarHBondContact OE2-NH2 2.78Å |
| 105 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -95 | 169.1 | -179.7 | -62 | 169.4 | 0 | 0 | 0 | 110.9 | F59 S63 L65 F83 I103 I110 A111 A114 | F59-L105 WeakPolarHBondContact CD1-O 3.23Å; S63-L105 VanDerWaalsContact CB-O 3.27Å; S63-L105 WeakPolarHBondContact CB-O 3.25Å; S63-L105 PolarHBondContact O-N 2.55Å; S63-L105 PolarHBondContact OG-O 3.4Å; L65-L105 HydrophobicContact CD1-CD1 3.69Å; F83-L105 HydrophobicContact CD1-CD1 4.3Å; I103-L105 HydrophobicContact CD1-CD2 4.3Å; I103-L105 HydrophobicContact CG1-CD2 4.47Å; L105-I110 HydrophobicContact CB-CG2 4.22Å; L105-I110 HydrophobicContact CD1-CG2 4.26Å; L105-A111 HydrophobicContact CB-CB 4.36Å; L105-A111 HydrophobicContact CD1-CB 3.99Å; L105-A114 HydrophobicContact CD1-CB 3.69Å | ||
| 106 | E | 90.4 | Very high | 92.1 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -65.7 | -47.9 | -172.4 | -173.2 | 174.6 | -172 | 0 | 0 | 113.3 | T58 F59 I110 | T58-E106 CarbonylContact C-O 3.56Å; T58-E106 VanDerWaalsContact CA-O 3.25Å; T58-E106 WeakPolarHBondContact CA-O 3.4Å; T58-E106 HydrophobicContact CG2-CG 3.92Å; F59-E106 HydrophobicContact CD1-CB 4.4Å; F59-E106 VanDerWaalsContact CE1-CA 3.4Å; F59-E106 HydrophobicContact CE1-CB 3.76Å; F59-E106 HydrophobicContact CE1-CG 4.27Å; F59-E106 HydrophobicContact CE2-CB 4.37Å; F59-E106 HydrophobicContact CE2-CG 3.98Å; F59-E106 HydrophobicContact CZ-CB 3.73Å; F59-E106 HydrophobicContact CZ-CG 3.77Å; F59-E106 PolarHBondContact N-O 3.21Å; E106-I110 HydrophobicContact CB-CD1 4.24Å |
| 107 | T | 90.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -128.9 | 160.9 | -177.9 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | S63 I109 I110 A111 | S63-T107 VanDerWaalsContact CB-C 3.47Å; S63-T107 WeakPolarHBondContact CB-O 3.27Å; T107-I109 VanDerWaalsContact C-N 3.28Å; T107-I109 PolarHBondContact O-N 3.01Å; T107-I110 HydrophobicContact CG2-CD1 4.41Å; T107-I110 PolarHBondContact O-N 3.49Å; T107-I110 WeakPolarHBondContact OG1-CD1 3.45Å; T107-I110 VanDerWaalsContact OG1-CG1 3.26Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.46Å; T107-I110 PolarHBondContact OG1-N 3.18Å; T107-A111 PolarHBondContact O-N 3.45Å |
| 108 | R | 90.5 | Very high | 92.6 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 175.5 | 175.2 | 60.4 | -178 | -156.6 | 1 | 111.7 | R62 A111 E112 | R62-R108 WeakPolarHBondContact O-CD 3.31Å; R62-R108 PolarHBondContact O-NH1 3.21Å; R108-A111 CarbonylContact O-C 3.52Å; R108-A111 WeakPolarHBondContact O-CB 3.43Å; R108-A111 PolarHBondContact O-N 2.63Å; R108-E112 IonicContact CZ-OE1 2.86Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.46Å; R108-E112 IonicContact NH2-OE1 3.25Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.33Å |
| 109 | I | 90.6 | Very high | 92.8 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | -177.4 | -72 | 160.4 | 0 | 0 | 0 | 111.1 | F51 T107 A111 E112 I113 | F51-I109 HydrophobicContact CB-CB 4.22Å; F51-I109 HydrophobicContact CB-CD1 4.01Å; F51-I109 HydrophobicContact CB-CG2 4Å; F51-I109 HydrophobicContact CD1-CG2 3.93Å; F51-I109 HydrophobicContact CG-CG2 4Å; F51-I109 WeakPolarHBondContact O-CD1 3.26Å; T107-I109 VanDerWaalsContact C-N 3.28Å; T107-I109 PolarHBondContact O-N 3.01Å; I109-A111 VanDerWaalsContact C-N 3.26Å; I109-A111 PolarHBondContact O-N 3.11Å; I109-E112 WeakPolarHBondContact O-CB 3.33Å; I109-E112 PolarHBondContact O-N 3.01Å; I109-E112 VanDerWaalsContact O-N 3.1Å; I109-I113 HydrophobicContact CG2-CD1 4.11Å; I109-I113 WeakPolarHBondContact O-CG1 3.14Å; I109-I113 PolarHBondContact O-N 2.84Å |
| 110 | I | 91.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 175.2 | -68.7 | 169.7 | 0 | 0 | 0 | 110.5 | P48 Y86 L105 E106 T107 E112 I113 A114 | P48-I110 HydrophobicContact CB-CD1 3.88Å; Y86-I110 WeakPolarHBondContact O-CG2 3.36Å; L105-I110 HydrophobicContact CB-CG2 4.22Å; L105-I110 HydrophobicContact CD1-CG2 4.26Å; E106-I110 HydrophobicContact CB-CD1 4.24Å; T107-I110 HydrophobicContact CG2-CD1 4.41Å; T107-I110 PolarHBondContact O-N 3.49Å; T107-I110 WeakPolarHBondContact OG1-CD1 3.45Å; T107-I110 VanDerWaalsContact OG1-CG1 3.26Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.46Å; T107-I110 PolarHBondContact OG1-N 3.18Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 3.19Å; I110-I113 PolarHBondContact O-N 3.48Å; I110-A114 WeakPolarHBondContact O-CB 3.17Å; I110-A114 PolarHBondContact O-N 3.46Å |
| 111 | A | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -33.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L65 L105 T107 R108 I109 R115 F132 | L65-A111 HydrophobicContact CD1-CB 4.22Å; L65-A111 HydrophobicContact CD2-CB 4.15Å; L65-A111 HydrophobicContact CG-CB 4.1Å; L105-A111 HydrophobicContact CB-CB 4.36Å; L105-A111 HydrophobicContact CD1-CB 3.99Å; T107-A111 PolarHBondContact O-N 3.45Å; R108-A111 CarbonylContact O-C 3.52Å; R108-A111 WeakPolarHBondContact O-CB 3.43Å; R108-A111 PolarHBondContact O-N 2.63Å; I109-A111 VanDerWaalsContact C-N 3.26Å; I109-A111 PolarHBondContact O-N 3.11Å; A111-R115 VanDerWaalsContact O-CB 3.27Å; A111-R115 WeakPolarHBondContact O-CB 3.41Å; A111-R115 PolarHBondContact O-N 3.44Å; A111-F132 HydrophobicContact CB-CE1 3.79Å; A111-F132 HydrophobicContact CB-CZ 4.39Å |
| 112 | E | 92.1 | Very high | 92.7 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 173.1 | -74.2 | 175 | -174.5 | 0 | 0 | 111.9 | R108 I109 I110 R115 A116 F132 | R108-E112 IonicContact CZ-OE1 2.86Å; R108-E112 IonicContact NE-OE1 2.92Å; R108-E112 PolarHBondContact NE-OE1 3.46Å; R108-E112 IonicContact NH2-OE1 3.25Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.33Å; I109-E112 WeakPolarHBondContact O-CB 3.33Å; I109-E112 PolarHBondContact O-N 3.01Å; I109-E112 VanDerWaalsContact O-N 3.1Å; I110-E112 VanDerWaalsContact C-N 3.33Å; I110-E112 PolarHBondContact O-N 3.19Å; E112-R115 PolarHBondContact O-N 3.26Å; E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 3.08Å; E112-F132 HydrophobicContact CB-CZ 4.35Å; E112-F132 HydrophobicContact CG-CE2 3.99Å; E112-F132 HydrophobicContact CG-CZ 3.49Å; E112-F132 VanDerWaalsContact CG-CZ 3.49Å |
| 113 | I | 92.7 | Very high | 92.5 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 32% | 0.323 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 175 | -62.7 | 165.2 | 0 | 0 | 0 | 109.8 | L46 Y86 I109 I110 R115 A116 E117 | L46-I113 HydrophobicContact CD1-CD1 4.24Å; Y86-I113 HydrophobicContact CD1-CG2 4.18Å; Y86-I113 HydrophobicContact CE1-CG2 3.97Å; I109-I113 HydrophobicContact CG2-CD1 4.11Å; I109-I113 WeakPolarHBondContact O-CG1 3.14Å; I109-I113 PolarHBondContact O-N 2.84Å; I110-I113 PolarHBondContact O-N 3.48Å; I113-R115 VanDerWaalsContact C-N 3.33Å; I113-R115 PolarHBondContact O-N 2.83Å; I113-A116 PolarHBondContact O-N 2.65Å; I113-E117 PolarHBondContact O-N 3.09Å; I113-E117 VanDerWaalsContact O-N 3.1Å |
| 114 | A | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | L65 F83 Y86 L105 I110 L118 | L65-A114 HydrophobicContact CD1-CB 4Å; F83-A114 HydrophobicContact CD1-CB 4.15Å; F83-A114 HydrophobicContact CE1-CB 4.07Å; Y86-A114 HydrophobicContact CD1-CB 4.02Å; Y86-A114 HydrophobicContact CD2-CB 3.49Å; Y86-A114 VanDerWaalsContact CD2-CB 3.49Å; Y86-A114 HydrophobicContact CE1-CB 4.18Å; Y86-A114 HydrophobicContact CE2-CB 3.64Å; Y86-A114 HydrophobicContact CG-CB 3.65Å; L105-A114 HydrophobicContact CD1-CB 3.69Å; I110-A114 WeakPolarHBondContact O-CB 3.17Å; I110-A114 PolarHBondContact O-N 3.46Å; A114-L118 VanDerWaalsContact O-CB 3.26Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 2.78Å |
| 115 | R | 93.6 | Very high | 92 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -52.2 | 173.5 | -176.9 | -167.6 | 72.4 | 169.1 | -1.4 | 111.1 | L65 A111 E112 I113 E117 L118 D119 V130 D222 | L65-R115 HydrophobicContact CD2-CB 4.22Å; A111-R115 VanDerWaalsContact O-CB 3.27Å; A111-R115 WeakPolarHBondContact O-CB 3.41Å; A111-R115 PolarHBondContact O-N 3.44Å; E112-R115 PolarHBondContact O-N 3.26Å; I113-R115 VanDerWaalsContact C-N 3.33Å; I113-R115 PolarHBondContact O-N 2.83Å; R115-E117 PolarHBondContact O-N 3.4Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-D119 VanDerWaalsContact O-CB 3.23Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 2.87Å; R115-V130 HydrophobicContact CB-CG1 4.27Å; R115-V130 HydrophobicContact CG-CG1 4.34Å; R115-V130 WeakPolarHBondContact CG-O 3.47Å; R115-D222 IonicContact CZ-OD2 2.68Å; R115-D222 IonicContact NH1-OD2 3.67Å; R115-D222 PolarHBondContact NH1-OD2 2.93Å; R115-D222 IonicContact NH2-OD2 2.65Å |
| 116 | A | 92.4 | Very high | 91.9 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 65% | 0.653 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.7 | -33.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E112 I113 | E112-A116 WeakPolarHBondContact O-CB 3.4Å; E112-A116 PolarHBondContact O-N 3.08Å; I113-A116 PolarHBondContact O-N 2.65Å |
| 117 | E | 92.5 | Very high | 92 | Very high | 109 Ų | 109 | 56.5 Ų | 56.5 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -94.9 | -25.2 | -177.2 | -175.1 | -175.8 | 174.3 | 0 | 0 | 113.7 | K85 Y86 I113 R115 | K85-E117 IonicContact NZ-OE1 2.63Å; K85-E117 PolarHBondContact NZ-OE1 2.68Å; K85-E117 IonicContact NZ-OE2 2.87Å; K85-E117 PolarHBondContact NZ-OE2 2.65Å; Y86-E117 WeakPolarHBondContact CE1-OE2 3.37Å; Y86-E117 WeakPolarHBondContact OH-CB 3.38Å; Y86-E117 PolarHBondContact OH-OE2 3.04Å; I113-E117 PolarHBondContact O-N 3.09Å; I113-E117 VanDerWaalsContact O-N 3.1Å; R115-E117 PolarHBondContact O-N 3.4Å |
| 118 | L | 94.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -99.8 | -12 | 179.6 | -66.4 | -177.7 | 0 | 0 | 0 | 115.1 | L82 F83 Y86 A114 R115 F121 I128 V130 | L82-L118 HydrophobicContact CD1-CD2 3.98Å; L82-L118 HydrophobicContact CD2-CD1 4.33Å; L82-L118 HydrophobicContact CG-CD1 4.01Å; L82-L118 HydrophobicContact CG-CD2 4.17Å; F83-L118 HydrophobicContact CD1-CD1 3.79Å; F83-L118 HydrophobicContact CD2-CD1 3.96Å; F83-L118 HydrophobicContact CE1-CD1 3.5Å; F83-L118 HydrophobicContact CE2-CD1 3.68Å; F83-L118 HydrophobicContact CG-CD1 4.02Å; F83-L118 HydrophobicContact CZ-CD1 3.44Å; F83-L118 VanDerWaalsContact CZ-CD1 3.44Å; Y86-L118 HydrophobicContact CE2-CD1 3.61Å; Y86-L118 HydrophobicContact CE2-CG 3.89Å; Y86-L118 WeakPolarHBondContact OH-CG 3.33Å; A114-L118 VanDerWaalsContact O-CB 3.26Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 2.78Å; R115-L118 PolarHBondContact O-N 3.47Å; L118-F121 HydrophobicContact CD2-CB 4.49Å; L118-F121 HydrophobicContact CD2-CD1 4.48Å; L118-F121 HydrophobicContact CD2-CG 4.33Å; L118-F121 WeakPolarHBondContact O-CB 3.44Å; L118-F121 PolarHBondContact O-N 2.78Å; L118-I128 WeakPolarHBondContact O-CG1 3.14Å; L118-V130 HydrophobicContact CB-CG2 3.83Å |
| 119 | D | 92.7 | Very high | 92.2 | Very high | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 136.6 | 174.5 | -165.3 | 49.2 | 0 | 0 | 0 | 110.9 | R115 F121 R129 V130 R131 | R115-D119 VanDerWaalsContact O-CB 3.23Å; R115-D119 WeakPolarHBondContact O-CB 3.26Å; R115-D119 PolarHBondContact O-N 2.87Å; D119-F121 PolarHBondContact O-N 3.42Å; D119-F121 VanDerWaalsContact O-N 3.16Å; D119-R129 WeakPolarHBondContact OD1-CA 3.41Å; D119-V130 HydrophobicContact CB-CB 4.31Å; D119-V130 PolarHBondContact OD1-N 2.97Å; D119-R131 IonicContact OD1-NE 3.69Å; D119-R131 IonicContact OD1-NH2 3.22Å; D119-R131 IonicContact OD2-CZ 3.71Å; D119-R131 IonicContact OD2-NE 3.7Å; D119-R131 IonicContact OD2-NH2 3.75Å; D119-R131 PolarHBondContact OD2-NH2 3.24Å |
| 120 | D | 91 | Very high | 92.4 | Very high | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 9.4 | -169.8 | -74.7 | -31.7 | 0 | 0 | 0 | 114.9 | V122 I128 K228 | D120-V122 PolarHBondContact O-N 2.76Å; D120-I128 WeakPolarHBondContact CA-O 3.31Å; D120-I128 PolarHBondContact N-O 2.86Å; D120-K228 IonicContact OD2-NZ 2.67Å; D120-K228 PolarHBondContact OD2-NZ 2.85Å |
| 121 | F | 93.3 | Very high | 92.4 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | -65.3 | 129.9 | 176.6 | -179.9 | -100.5 | 0 | 0 | 0 | 111.8 | L82 L118 D119 F123 P127 I128 | L82-F121 HydrophobicContact CD1-CD1 4.19Å; L82-F121 HydrophobicContact CD1-CE1 3.83Å; L118-F121 HydrophobicContact CD2-CB 4.49Å; L118-F121 HydrophobicContact CD2-CD1 4.48Å; L118-F121 HydrophobicContact CD2-CG 4.33Å; L118-F121 WeakPolarHBondContact O-CB 3.44Å; L118-F121 PolarHBondContact O-N 2.78Å; D119-F121 PolarHBondContact O-N 3.42Å; D119-F121 VanDerWaalsContact O-N 3.16Å; F121-F123 HydrophobicContact CD1-CB 4.26Å; F121-F123 HydrophobicContact CE1-CB 4.45Å; F121-F123 HydrophobicContact CE1-CD2 4.4Å; F121-F123 PolarHBondContact O-N 3.45Å; F121-F123 VanDerWaalsContact O-N 3.09Å; F121-P127 WeakPolarHBondContact O-CA 3.5Å; F121-I128 HydrophobicContact CB-CD1 4.43Å; F121-I128 HydrophobicContact CB-CG1 4.22Å; F121-I128 HydrophobicContact CD1-CD1 4.46Å; F121-I128 WeakPolarHBondContact O-CG1 3.33Å; F121-I128 PolarHBondContact O-N 2.87Å | ||
| 122 | V | 93.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 101.1 | -179.1 | -177 | 0 | 0 | 0 | 0 | 110.2 | D120 | D120-V122 PolarHBondContact O-N 2.76Å |
| 123 | F | 91.6 | Very high | 92.4 | Very high | 31 Ų | 31 | 57.3 Ų | 57.3 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.4 | 176.3 | -171.4 | -117.8 | 0 | 0 | 0 | 110.2 | P71 V74 E78 L82 F121 G125 R126 I128 | P71-F123 HydrophobicContact CG-CD1 3.93Å; P71-F123 HydrophobicContact CG-CE1 4.42Å; V74-F123 HydrophobicContact CG1-CE1 4.15Å; V74-F123 HydrophobicContact CG2-CD1 4.28Å; V74-F123 HydrophobicContact CG2-CE1 3.67Å; E78-F123 HydrophobicContact CB-CZ 4.21Å; L82-F123 HydrophobicContact CD2-CD2 4.43Å; F121-F123 HydrophobicContact CD1-CB 4.26Å; F121-F123 HydrophobicContact CE1-CB 4.45Å; F121-F123 HydrophobicContact CE1-CD2 4.4Å; F121-F123 PolarHBondContact O-N 3.45Å; F121-F123 VanDerWaalsContact O-N 3.09Å; F123-G125 PolarHBondContact O-N 2.85Å; F123-R126 PolarHBondContact N-O 3.21Å; F123-R126 PolarHBondContact O-N 3.12Å; F123-R126 VanDerWaalsContact O-O 3.1Å; F123-I128 HydrophobicContact CB-CG2 3.63Å; F123-I128 HydrophobicContact CD1-CG2 4.44Å; F123-I128 HydrophobicContact CG-CG2 4.45Å |
| 124 | K | 89.6 | Confident | 92.3 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 42.6 | -177.3 | -60.9 | -179.6 | 169.4 | -179.4 | 0 | 113.1 | P71 E78 R126 | P71-K124 HydrophobicContact CB-CB 4.48Å; P71-K124 HydrophobicContact CG-CB 3.91Å; P71-K124 HydrophobicContact CG-CD 4.31Å; E78-K124 IonicContact OE1-NZ 3.06Å; E78-K124 PolarHBondContact OE1-NZ 3.28Å; E78-K124 IonicContact OE2-NZ 3.56Å; E78-K124 PolarHBondContact OE2-NZ 3.27Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-R126 PolarHBondContact O-N 3.37Å |
| 125 | G | 90.1 | Very high | 92.2 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 4.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F123 | F123-G125 PolarHBondContact O-N 2.85Š|
| 126 | R | 91.4 | Very high | 92.1 | Very high | 120 Ų | 120 | 59.6 Ų | 59.6 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.9 | 173.5 | -74.1 | -173 | 157 | -161.5 | -5.5 | 111.5 | F123 K124 I128 | F123-R126 PolarHBondContact N-O 3.21Å; F123-R126 PolarHBondContact O-N 3.12Å; F123-R126 VanDerWaalsContact O-O 3.1Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-R126 PolarHBondContact O-N 3.37Å; R126-I128 PolarHBondContact O-N 3.15Å |
| 127 | P | 92.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 118.7 | 172.4 | 28.5 | -32 | 0 | 0 | 0 | 109.4 | N69 F121 | N69-P127 PolarHBondContact ND2-O 3.02Å; F121-P127 WeakPolarHBondContact O-CA 3.5Å |
| 128 | I | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -79.7 | 150.6 | 175.9 | 66.2 | 179.3 | 0 | 0 | 0 | 109.8 | V67 L70 L82 L118 D120 F121 F123 R126 V130 | V67-I128 HydrophobicContact CG1-CB 4.33Å; V67-I128 HydrophobicContact CG1-CD1 4.27Å; L70-I128 HydrophobicContact CD2-CG2 4Å; L82-I128 HydrophobicContact CD2-CD1 3.64Å; L118-I128 WeakPolarHBondContact O-CG1 3.14Å; D120-I128 WeakPolarHBondContact CA-O 3.31Å; D120-I128 PolarHBondContact N-O 2.86Å; F121-I128 HydrophobicContact CB-CD1 4.43Å; F121-I128 HydrophobicContact CB-CG1 4.22Å; F121-I128 HydrophobicContact CD1-CD1 4.46Å; F121-I128 WeakPolarHBondContact O-CG1 3.33Å; F121-I128 PolarHBondContact O-N 2.87Å; F123-I128 HydrophobicContact CB-CG2 3.63Å; F123-I128 HydrophobicContact CD1-CG2 4.44Å; F123-I128 HydrophobicContact CG-CG2 4.45Å; R126-I128 PolarHBondContact O-N 3.15Å; I128-V130 HydrophobicContact CD1-CG2 4.09Å; I128-V130 HydrophobicContact CG1-CG2 4.2Å | ||
| 129 | R | 91.3 | Very high | 92.5 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.1 | 176.4 | -171.3 | 174.7 | 176.4 | -165 | -2.4 | 109.4 | V67 G68 D119 R131 E223 | V67-R129 CarbonylContact C-O 3.58Å; V67-R129 WeakPolarHBondContact CA-O 3.19Å; G68-R129 PolarHBondContact N-O 3.22Å; G68-R129 PolarHBondContact O-N 2.67Å; D119-R129 WeakPolarHBondContact OD1-CA 3.41Å; R129-R131 HydrophobicContact CG-CG 4.04Å; R129-E223 IonicContact CZ-OE1 3.72Å; R129-E223 IonicContact CZ-OE2 3.95Å; R129-E223 IonicContact NE-OE1 3.61Å; R129-E223 IonicContact NE-OE2 3.51Å; R129-E223 VanDerWaalsContact NH2-CD 3.27Å; R129-E223 IonicContact NH2-OE1 3.56Å; R129-E223 PolarHBondContact NH2-OE1 3.31Å; R129-E223 IonicContact NH2-OE2 2.68Å; R129-E223 PolarHBondContact NH2-OE2 2.99Å |
| 130 | V | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.5 | -179.2 | -174 | 0 | 0 | 0 | 0 | 108.9 | L65 F66 V67 F83 R115 L118 D119 I128 | L65-V130 HydrophobicContact CB-CG1 4.24Å; L65-V130 HydrophobicContact CD1-CG1 3.95Å; L65-V130 HydrophobicContact CD2-CG1 4.37Å; L65-V130 HydrophobicContact CG-CG1 4.43Å; F66-V130 WeakPolarHBondContact O-CA 3.44Å; V67-V130 HydrophobicContact CG1-CG2 4.29Å; V67-V130 HydrophobicContact CG2-CG2 4.47Å; F83-V130 HydrophobicContact CZ-CG1 4.34Å; F83-V130 HydrophobicContact CZ-CG2 4.38Å; R115-V130 HydrophobicContact CB-CG1 4.27Å; R115-V130 HydrophobicContact CG-CG1 4.34Å; R115-V130 WeakPolarHBondContact CG-O 3.47Å; L118-V130 HydrophobicContact CB-CG2 3.83Å; D119-V130 HydrophobicContact CB-CB 4.31Å; D119-V130 PolarHBondContact OD1-N 2.97Å; I128-V130 HydrophobicContact CD1-CG2 4.09Å; I128-V130 HydrophobicContact CG1-CG2 4.2Å |
| 131 | R | 92.5 | Very high | 93 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 164 | -177.6 | -61.1 | -68.3 | 154 | 168.3 | 1.6 | 110.3 | L65 F66 D119 R129 E223 | L65-R131 CarbonylContact C-O 3.38Å; L65-R131 VanDerWaalsContact CA-O 3.26Å; L65-R131 WeakPolarHBondContact CA-O 3.36Å; F66-R131 HydrophobicContact CD1-CB 4.43Å; F66-R131 PolarHBondContact N-O 3.19Å; F66-R131 PolarHBondContact O-N 3.11Å; D119-R131 IonicContact OD1-NE 3.69Å; D119-R131 IonicContact OD1-NH2 3.22Å; D119-R131 IonicContact OD2-CZ 3.71Å; D119-R131 IonicContact OD2-NE 3.7Å; D119-R131 IonicContact OD2-NH2 3.75Å; D119-R131 PolarHBondContact OD2-NH2 3.24Å; R129-R131 HydrophobicContact CG-CG 4.04Å; R131-E223 IonicContact CZ-OE1 3.7Å; R131-E223 IonicContact CZ-OE2 2.7Å; R131-E223 IonicContact NE-OE2 2.79Å; R131-E223 PolarHBondContact NE-OE2 3.01Å; R131-E223 VanDerWaalsContact NE-OE2 3.15Å; R131-E223 IonicContact NH1-OE1 2.65Å; R131-E223 IonicContact NH1-OE2 3.62Å; R131-E223 PolarHBondContact NH1-OE2 2.86Å; R131-E223 IonicContact NH2-OE1 2.79Å; R131-E223 PolarHBondContact NH2-OE1 3.22Å; R131-E223 IonicContact NH2-OE2 3.37Å; R131-E223 PolarHBondContact NH2-OE2 3.3Å |
| 132 | F | 93.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 17% | 0.171 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.8 | 167.9 | -75.1 | -67.8 | 0 | 0 | 0 | 110.1 | L65 A111 E112 | L65-F132 HydrophobicContact CD2-CD1 3.56Å; L65-F132 HydrophobicContact CD2-CE1 3.5Å; L65-F132 HydrophobicContact CD2-CG 4.25Å; L65-F132 HydrophobicContact CD2-CZ 4.12Å; A111-F132 HydrophobicContact CB-CE1 3.79Å; A111-F132 HydrophobicContact CB-CZ 4.39Å; E112-F132 HydrophobicContact CB-CZ 4.35Å; E112-F132 HydrophobicContact CG-CE2 3.99Å; E112-F132 HydrophobicContact CG-CZ 3.49Å; E112-F132 VanDerWaalsContact CG-CZ 3.49Å |
| 133 | A | 92.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 139.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | R64 F102 H135 | R64-A133 HydrophobicContact CB-CB 4.09Å; R64-A133 HydrophobicContact CG-CB 3.95Å; R64-A133 WeakPolarHBondContact O-CB 3.46Å; R64-A133 PolarHBondContact O-N 3.03Å; F102-A133 HydrophobicContact CD1-CB 3.95Å; F102-A133 HydrophobicContact CE1-CB 3.93Å; A133-H135 PolarHBondContact O-N 3.31Å |
| 134 | T | 90.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 65% | 0.65 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -63.6 | 130.1 | 174.5 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | G136 | T134-G136 PolarHBondContact O-N 3.4Š|
| 135 | H | 91.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.069 | 21% | 0.212 | C | C | . | . | trans | -79 | 87.2 | -177.7 | -170 | -61 | 0 | 0 | 0 | 109.7 | Q61 A133 A137 A138 E164 F184 Q218 | Q61-H135 WeakPolarHBondContact CB-CD2 3.37Å; A133-H135 PolarHBondContact O-N 3.31Å; H135-A137 PolarHBondContact CE1-O 3Å; H135-A137 VanDerWaalsContact ND1-C 3.27Å; H135-A137 PolarHBondContact ND1-N 2.88Å; H135-A137 PolarHBondContact O-N 3.34Å; H135-A138 HydrophobicContact CB-CB 4.14Å; H135-A138 WeakPolarHBondContact ND1-CB 3.38Å; H135-A138 PolarHBondContact ND1-N 3.25Å; H135-A138 PolarHBondContact O-N 3.24Å; H135-E164 IonicContact NE2-OE2 3.41Å; H135-F184 PolarHBondContact CE1-O 3.17Å; H135-Q218 PolarHBondContact O-NE2 2.92Å | ||
| 136 | G | 90.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 7.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | T134 | T134-G136 PolarHBondContact O-N 3.4Š|
| 137 | A | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 27.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H135 F184 K187 A190 | H135-A137 PolarHBondContact CE1-O 3Å; H135-A137 VanDerWaalsContact ND1-C 3.27Å; H135-A137 PolarHBondContact ND1-N 2.88Å; H135-A137 PolarHBondContact O-N 3.34Å; A137-F184 HydrophobicContact CB-CB 4.13Å; A137-F184 WeakPolarHBondContact CB-O 3.46Å; A137-F184 PolarHBondContact O-N 2.72Å; A137-K187 HydrophobicContact CB-CG 4.19Å; A137-A190 HydrophobicContact CB-CB 3.98Å |
| 138 | A | 96.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | H135 V182 E183 M216 | H135-A138 HydrophobicContact CB-CB 4.14Å; H135-A138 WeakPolarHBondContact ND1-CB 3.38Å; H135-A138 PolarHBondContact ND1-N 3.25Å; H135-A138 PolarHBondContact O-N 3.24Å; A138-V182 WeakPolarHBondContact CA-O 3.28Å; A138-E183 HydrophobicContact CB-CG 4.12Å; A138-M216 HydrophobicContact CB-CB 3.83Å; A138-M216 HydrophobicContact CB-CG 4.45Å; A138-M216 HydrophobicContact CB-SD 3.91Å; A138-M216 WeakPolarHBondContact O-CB 2.98Å; A138-M216 PolarHBondContact O-N 3.37Å |
| 139 | L | 97.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.1 | 179.5 | -57.5 | 178.5 | 0 | 0 | 0 | 110 | I141 I181 V182 F184 A190 A193 V213 E214 | L139-I141 HydrophobicContact CB-CD1 4.17Å; L139-I181 WeakPolarHBondContact O-CA 3.42Å; L139-V182 PolarHBondContact N-O 2.77Å; L139-V182 PolarHBondContact O-N 3.33Å; L139-F184 HydrophobicContact CD1-CD2 4.29Å; L139-F184 HydrophobicContact CD1-CE2 3.83Å; L139-A190 HydrophobicContact CD1-CB 4.24Å; L139-A190 HydrophobicContact CD2-CB 4.39Å; L139-A190 HydrophobicContact CG-CB 4.27Å; L139-A193 HydrophobicContact CD1-CB 4Å; L139-V213 HydrophobicContact CB-CG1 4.04Å; L139-V213 HydrophobicContact CD1-CG1 3.65Å; L139-V213 HydrophobicContact CD2-CG1 4.49Å; L139-V213 HydrophobicContact CG-CG1 4.27Å; L139-E214 CarbonylContact C-O 3.57Å; L139-E214 WeakPolarHBondContact CA-O 3.11Å |
| 140 | S | 97.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.9 | 169.3 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | E214 | S140-E214 PolarHBondContact N-O 3.16Å; S140-E214 PolarHBondContact O-N 2.87Å |
| 141 | I | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.9 | 177.8 | -43.4 | -52.8 | 0 | 0 | 0 | 107.6 | L139 L144 F157 K179 G180 V182 I211 T212 V213 | L139-I141 HydrophobicContact CB-CD1 4.17Å; I141-L144 HydrophobicContact CB-CD2 4.47Å; I141-L144 HydrophobicContact CG2-CD1 4.5Å; I141-L144 HydrophobicContact CG2-CD2 3.6Å; I141-L144 HydrophobicContact CG2-CG 3.99Å; I141-F157 HydrophobicContact CD1-CE1 3.77Å; I141-F157 HydrophobicContact CD1-CE2 4.2Å; I141-F157 HydrophobicContact CD1-CZ 3.45Å; I141-F157 VanDerWaalsContact CD1-CZ 3.45Å; I141-F157 HydrophobicContact CG1-CE2 4.34Å; I141-F157 HydrophobicContact CG1-CZ 4.06Å; I141-F157 HydrophobicContact CG2-CZ 4.36Å; I141-K179 CarbonylContact O-C 3.58Å; I141-K179 VanDerWaalsContact O-CA 3.23Å; I141-K179 WeakPolarHBondContact O-CA 3.03Å; I141-G180 PolarHBondContact N-O 3.41Å; I141-G180 PolarHBondContact O-N 3.34Å; I141-V182 HydrophobicContact CD1-CB 4.35Å; I141-V182 HydrophobicContact CD1-CG2 4.04Å; I141-V182 HydrophobicContact CG1-CB 4.4Å; I141-V182 HydrophobicContact CG1-CG2 3.7Å; I141-I211 HydrophobicContact CG2-CB 4.1Å; I141-I211 HydrophobicContact CG2-CD1 3.98Å; I141-I211 HydrophobicContact CG2-CG1 4.45Å; I141-T212 CarbonylContact C-O 3.52Å; I141-T212 WeakPolarHBondContact CA-O 3.44Å; I141-V213 HydrophobicContact CD1-CB 4.39Å; I141-V213 HydrophobicContact CD1-CG1 3.91Å; I141-V213 HydrophobicContact CD1-CG2 4.02Å |
| 142 | K | 95.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 48 Ų | 48 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 166.3 | 176 | -60.5 | 180 | -175.5 | 168.2 | 0 | 110 | L144 G178 T212 E214 | K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 PolarHBondContact O-N 2.61Å; K142-G178 CarbonylContact C-O 3.47Å; K142-T212 PolarHBondContact N-O 3.21Å; K142-T212 PolarHBondContact O-N 3.4Å; K142-E214 WeakPolarHBondContact CE-OE1 3.44Å; K142-E214 WeakPolarHBondContact CE-OE2 3.48Å; K142-E214 IonicContact NZ-OE1 3.12Å; K142-E214 PolarHBondContact NZ-OE1 3.47Å; K142-E214 IonicContact NZ-OE2 3.61Å; K142-E214 PolarHBondContact NZ-OE2 3.33Å |
| 143 | N | 93.7 | Very high | 94.9 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 61 | 32.9 | 180 | -59.8 | -42.7 | 0 | 0 | 0 | 113.5 | G178 T212 | N143-G178 PolarHBondContact N-O 2.75Å; N143-G178 VanDerWaalsContact N-O 3.09Å; N143-T212 PolarHBondContact ND2-OG1 3.45Å |
| 144 | L | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | trans | -66.4 | 132.9 | 174.5 | -71.4 | 178 | 0 | 0 | 0 | 110.8 | I141 K142 V148 L153 V168 G178 L204 I211 | I141-L144 HydrophobicContact CB-CD2 4.47Å; I141-L144 HydrophobicContact CG2-CD1 4.5Å; I141-L144 HydrophobicContact CG2-CD2 3.6Å; I141-L144 HydrophobicContact CG2-CG 3.99Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 PolarHBondContact O-N 2.61Å; L144-V148 HydrophobicContact CD2-CG1 4.44Å; L144-L153 HydrophobicContact CD1-CD2 4.41Å; L144-L153 HydrophobicContact CD2-CD1 4.02Å; L144-V168 HydrophobicContact CD1-CG1 4.37Å; L144-V168 HydrophobicContact CD1-CG2 4.21Å; L144-G178 PolarHBondContact N-O 3.05Å; L144-L204 HydrophobicContact CD2-CD1 3.72Å; L144-I211 HydrophobicContact CD2-CG2 3.95Å | ||
| 145 | P | 92.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | trans | -61 | 153.5 | 167.6 | -20.5 | 30.9 | 0 | 0 | 0 | 112.4 | F147 V148 T205 | P145-F147 VanDerWaalsContact C-N 3.31Å; P145-F147 PolarHBondContact O-N 3.33Å; P145-V148 HydrophobicContact CB-CG2 4.07Å; P145-V148 HydrophobicContact CG-CG2 4.14Å; P145-V148 PolarHBondContact O-N 3.36Å; P145-T205 HydrophobicContact CB-CG2 4.16Å; P145-T205 HydrophobicContact CG-CG2 4.16Å | ||
| 146 | E | 91 | Very high | 95.7 | Very high | 136 Ų | 136 | 50.3 Ų | 50.3 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.9 | -174.2 | -175.4 | 174.2 | -178.5 | 0 | 0 | 113.8 | V148 P176 | E146-V148 VanDerWaalsContact C-N 3.32Å; E146-V148 PolarHBondContact O-N 2.8Å; E146-P176 HydrophobicContact CG-CG 3.87Å |
| 147 | F | 94.1 | Very high | 96.1 | Very high | 180 Ų | 180 | 48.3 Ų | 48.3 | 79% | 0.789 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 16.1 | -174.9 | -59 | -72.5 | 0 | 0 | 0 | 114.2 | P145 | P145-F147 VanDerWaalsContact C-N 3.31Å; P145-F147 PolarHBondContact O-N 3.33Å |
| 148 | V | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -83.8 | 123 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | L144 P145 E146 L152 L153 V168 L204 T205 | L144-V148 HydrophobicContact CD2-CG1 4.44Å; P145-V148 HydrophobicContact CB-CG2 4.07Å; P145-V148 HydrophobicContact CG-CG2 4.14Å; P145-V148 PolarHBondContact O-N 3.36Å; E146-V148 VanDerWaalsContact C-N 3.32Å; E146-V148 PolarHBondContact O-N 2.8Å; V148-L152 HydrophobicContact CG1-CD2 4.42Å; V148-L152 HydrophobicContact CG2-CD2 4.32Å; V148-L153 HydrophobicContact CG1-CB 4.11Å; V148-V168 HydrophobicContact CG1-CG2 4.36Å; V148-L204 HydrophobicContact CG1-CD1 4.17Å; V148-L204 HydrophobicContact CG2-CB 4.21Å; V148-L204 HydrophobicContact CG2-CD1 4.23Å; V148-T205 HydrophobicContact CG2-CG2 3.89Å | ||
| 149 | S | 97.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | trans | -93.4 | 171.4 | 173.6 | 83.8 | 0 | 0 | 0 | 0 | 112.2 | E151 L152 L153 | S149-E151 VanDerWaalsContact C-N 3.27Å; S149-E151 VanDerWaalsContact CB-OE2 3.28Å; S149-E151 WeakPolarHBondContact CB-OE2 3.24Å; S149-E151 PolarHBondContact O-N 3.41Å; S149-E151 PolarHBondContact OG-N 2.87Å; S149-E151 PolarHBondContact OG-OE2 3.38Å; S149-L152 PolarHBondContact O-N 3.12Å; S149-L152 PolarHBondContact OG-N 3Å; S149-L153 WeakPolarHBondContact O-CB 3.28Å; S149-L153 PolarHBondContact O-N 3.43Å | ||
| 150 | N | 96.9 | Very high | 96.1 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 174.6 | -61.6 | -26.4 | 0 | 0 | 0 | 111.4 | L153 E154 L167 V168 | N150-L153 PolarHBondContact O-N 3.21Å; N150-E154 PolarHBondContact O-N 3.26Å; N150-L167 WeakPolarHBondContact OD1-CA 3.31Å; N150-V168 PolarHBondContact OD1-N 3.49Å |
| 151 | E | 96.4 | Very high | 96.1 | Very high | 125 Ų | 125 | 55.2 Ų | 55.2 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -69.7 | -43.8 | -177.6 | -56.7 | 71.2 | -153.9 | 0 | 0 | 111 | S149 L153 E154 E155 | S149-E151 VanDerWaalsContact C-N 3.27Å; S149-E151 VanDerWaalsContact CB-OE2 3.28Å; S149-E151 WeakPolarHBondContact CB-OE2 3.24Å; S149-E151 PolarHBondContact O-N 3.41Å; S149-E151 PolarHBondContact OG-N 2.87Å; S149-E151 PolarHBondContact OG-OE2 3.38Å; E151-L153 VanDerWaalsContact C-N 3.29Å; E151-L153 PolarHBondContact O-N 3.42Å; E151-E154 PolarHBondContact O-N 3.26Å; E151-E155 PolarHBondContact O-N 2.79Å |
| 152 | L | 97.4 | Very high | 96 | Very high | 58 Ų | 58 | 62 Ų | 62 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.7 | -178.5 | 61.8 | 0 | 0 | 0 | 111.2 | V148 S149 E155 A156 | V148-L152 HydrophobicContact CG1-CD2 4.42Å; V148-L152 HydrophobicContact CG2-CD2 4.32Å; S149-L152 PolarHBondContact O-N 3.12Å; S149-L152 PolarHBondContact OG-N 3Å; L152-E155 PolarHBondContact O-N 2.92Å; L152-A156 VanDerWaalsContact O-CB 3.28Å; L152-A156 WeakPolarHBondContact O-CB 2.94Å; L152-A156 PolarHBondContact O-N 3.03Å |
| 153 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 175.6 | -172.8 | 64.3 | 0 | 0 | 0 | 111.6 | L144 V148 S149 N150 E151 F157 A166 V168 V182 L204 | L144-L153 HydrophobicContact CD1-CD2 4.41Å; L144-L153 HydrophobicContact CD2-CD1 4.02Å; V148-L153 HydrophobicContact CG1-CB 4.11Å; S149-L153 WeakPolarHBondContact O-CB 3.28Å; S149-L153 PolarHBondContact O-N 3.43Å; N150-L153 PolarHBondContact O-N 3.21Å; E151-L153 VanDerWaalsContact C-N 3.29Å; E151-L153 PolarHBondContact O-N 3.42Å; L153-F157 HydrophobicContact CD1-CD2 3.75Å; L153-F157 HydrophobicContact CD1-CE2 3.58Å; L153-F157 HydrophobicContact CG-CD2 4.39Å; L153-F157 WeakPolarHBondContact O-CD2 3.08Å; L153-F157 PolarHBondContact O-N 2.78Å; L153-F157 VanDerWaalsContact O-N 3.15Å; L153-A166 HydrophobicContact CB-CB 4.27Å; L153-A166 HydrophobicContact CD2-CB 4.26Å; L153-A166 HydrophobicContact CG-CB 4.13Å; L153-V168 HydrophobicContact CD2-CG2 4.15Å; L153-V182 HydrophobicContact CD1-CG2 4.28Å; L153-V182 HydrophobicContact CD2-CG2 4Å; L153-V182 HydrophobicContact CG-CG2 3.93Å; L153-L204 HydrophobicContact CD1-CD1 3.98Å |
| 154 | E | 96.9 | Very high | 96 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -51.1 | 173.6 | -173.7 | 167.2 | 178.9 | 0 | 0 | 111.2 | K57 N150 E151 A156 F157 S158 I163 A166 | K57-E154 IonicContact NZ-OE1 2.77Å; K57-E154 PolarHBondContact NZ-OE1 2.93Å; N150-E154 PolarHBondContact O-N 3.26Å; E151-E154 PolarHBondContact O-N 3.26Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 3Å; E154-F157 PolarHBondContact O-N 2.87Å; E154-S158 WeakPolarHBondContact O-CB 3.2Å; E154-S158 PolarHBondContact O-N 2.98Å; E154-I163 HydrophobicContact CB-CD1 4.46Å; E154-I163 HydrophobicContact CG-CB 4.23Å; E154-I163 HydrophobicContact CG-CD1 3.94Å; E154-I163 HydrophobicContact CG-CG2 4.05Å; E154-I163 WeakPolarHBondContact O-CD1 3.4Å; E154-A166 HydrophobicContact CB-CB 3.82Å |
| 155 | E | 97.2 | Very high | 96 | Very high | 138 Ų | 138 | 59.9 Ų | 59.9 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.4 | -45.9 | 179.7 | -173.9 | 177.9 | 179.2 | 0 | 0 | 111.4 | E151 L152 F157 S158 | E151-E155 PolarHBondContact O-N 2.79Å; L152-E155 PolarHBondContact O-N 2.92Å; E155-F157 PolarHBondContact O-N 2.9Å; E155-S158 WeakPolarHBondContact O-CB 3.29Å; E155-S158 PolarHBondContact O-N 2.74Å; E155-S158 PolarHBondContact O-OG 2.79Å |
| 156 | A | 96.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 59.6 Ų | 59.6 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -51.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L152 E154 S158 V159 Y202 L204 | L152-A156 VanDerWaalsContact O-CB 3.28Å; L152-A156 WeakPolarHBondContact O-CB 2.94Å; L152-A156 PolarHBondContact O-N 3.03Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 3Å; A156-S158 VanDerWaalsContact C-N 3.28Å; A156-S158 PolarHBondContact O-N 3.29Å; A156-V159 VanDerWaalsContact O-CG2 3.25Å; A156-V159 WeakPolarHBondContact O-CG2 3.45Å; A156-Y202 VanDerWaalsContact C-OH 3.26Å; A156-Y202 PolarHBondContact O-OH 3.46Å; A156-L204 HydrophobicContact CB-CD2 3.49Å; A156-L204 VanDerWaalsContact CB-CD2 3.49Å |
| 157 | F | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -77.5 | -13.7 | -176.3 | -81.9 | -99.2 | 0 | 0 | 0 | 113.8 | I141 L153 E154 E155 V159 F160 I163 V182 F184 A193 Y202 I211 V213 | I141-F157 HydrophobicContact CD1-CE1 3.77Å; I141-F157 HydrophobicContact CD1-CE2 4.2Å; I141-F157 HydrophobicContact CD1-CZ 3.45Å; I141-F157 VanDerWaalsContact CD1-CZ 3.45Å; I141-F157 HydrophobicContact CG1-CE2 4.34Å; I141-F157 HydrophobicContact CG1-CZ 4.06Å; I141-F157 HydrophobicContact CG2-CZ 4.36Å; L153-F157 HydrophobicContact CD1-CD2 3.75Å; L153-F157 HydrophobicContact CD1-CE2 3.58Å; L153-F157 HydrophobicContact CG-CD2 4.39Å; L153-F157 WeakPolarHBondContact O-CD2 3.08Å; L153-F157 PolarHBondContact O-N 2.78Å; L153-F157 VanDerWaalsContact O-N 3.15Å; E154-F157 PolarHBondContact O-N 2.87Å; E155-F157 PolarHBondContact O-N 2.9Å; F157-V159 PolarHBondContact O-N 2.99Å; F157-V159 VanDerWaalsContact O-N 3.11Å; F157-F160 HydrophobicContact CB-CD2 4.4Å; F157-F160 AromaticContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CE2 4.06Å; F157-F160 HydrophobicContact CE1-CE2 4.43Å; F157-F160 HydrophobicContact CG-CD2 4.41Å; F157-F160 HydrophobicContact CG-CE2 4.5Å; F157-F160 WeakPolarHBondContact O-CD2 3.1Å; F157-F160 PolarHBondContact O-N 3.23Å; F157-I163 HydrophobicContact CB-CD1 3.57Å; F157-I163 HydrophobicContact CB-CG1 4.46Å; F157-V182 HydrophobicContact CB-CG1 3.92Å; F157-V182 HydrophobicContact CB-CG2 4.48Å; F157-V182 HydrophobicContact CD1-CG1 4.14Å; F157-V182 HydrophobicContact CD1-CG2 4.35Å; F157-V182 HydrophobicContact CD2-CG2 3.99Å; F157-V182 HydrophobicContact CE2-CG2 4.29Å; F157-V182 HydrophobicContact CG-CG1 4.05Å; F157-V182 HydrophobicContact CG-CG2 4.02Å; F157-F184 HydrophobicContact CB-CZ 4.04Å; F157-F184 HydrophobicContact CD1-CE2 4.23Å; F157-F184 AromaticContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CG-CZ 4.5Å; F157-A193 HydrophobicContact CD1-CB 4.28Å; F157-A193 HydrophobicContact CE1-CB 4.43Å; F157-Y202 HydrophobicContact CE2-CE1 4.35Å; F157-I211 HydrophobicContact CE2-CD1 3.57Å; F157-I211 HydrophobicContact CZ-CD1 3.44Å; F157-I211 VanDerWaalsContact CZ-CD1 3.44Å; F157-V213 HydrophobicContact CE1-CG2 4.09Å; F157-V213 HydrophobicContact CZ-CG2 3.94Å |
| 158 | S | 97.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -23.2 | -179.5 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | E154 E155 A156 F160 G161 | E154-S158 WeakPolarHBondContact O-CB 3.2Å; E154-S158 PolarHBondContact O-N 2.98Å; E155-S158 WeakPolarHBondContact O-CB 3.29Å; E155-S158 PolarHBondContact O-N 2.74Å; E155-S158 PolarHBondContact O-OG 2.79Å; A156-S158 VanDerWaalsContact C-N 3.28Å; A156-S158 PolarHBondContact O-N 3.29Å; S158-F160 PolarHBondContact O-N 2.79Å; S158-G161 WeakPolarHBondContact CA-O 3.38Å; S158-G161 PolarHBondContact O-N 3.02Å |
| 159 | V | 96.4 | Very high | 96.6 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.4 | 176.2 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | A156 F157 | A156-V159 VanDerWaalsContact O-CG2 3.25Å; A156-V159 WeakPolarHBondContact O-CG2 3.45Å; F157-V159 PolarHBondContact O-N 2.99Å; F157-V159 VanDerWaalsContact O-N 3.11Å |
| 160 | F | 96.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -27.1 | 178.9 | -55.5 | -74.2 | 0 | 0 | 0 | 112.1 | F157 S158 F184 K192 A193 K196 Y202 | F157-F160 HydrophobicContact CB-CD2 4.4Å; F157-F160 AromaticContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CD2 3.94Å; F157-F160 HydrophobicContact CD1-CE2 4.06Å; F157-F160 HydrophobicContact CE1-CE2 4.43Å; F157-F160 HydrophobicContact CG-CD2 4.41Å; F157-F160 HydrophobicContact CG-CE2 4.5Å; F157-F160 WeakPolarHBondContact O-CD2 3.1Å; F157-F160 PolarHBondContact O-N 3.23Å; S158-F160 PolarHBondContact O-N 2.79Å; F160-F184 HydrophobicContact CB-CE1 4.06Å; F160-F184 HydrophobicContact CB-CZ 4.06Å; F160-K192 HydrophobicContact CD1-CG 4.39Å; F160-A193 HydrophobicContact CB-CB 3.83Å; F160-A193 HydrophobicContact CD1-CB 4.05Å; F160-A193 HydrophobicContact CD2-CB 3.71Å; F160-A193 HydrophobicContact CE2-CB 4.28Å; F160-A193 HydrophobicContact CG-CB 3.6Å; F160-K196 HydrophobicContact CE1-CB 4.02Å; F160-K196 HydrophobicContact CE1-CD 3.91Å; F160-K196 HydrophobicContact CE1-CG 4.1Å; F160-Y202 HydrophobicContact CE2-CD1 4.31Å; F160-Y202 AromaticContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CZ-CD1 4.28Å; F160-Y202 HydrophobicContact CZ-CE1 4.06Å |
| 161 | G | 95.9 | Very high | 96.5 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 24% | 0.237 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 162.3 | -177.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S158 I163 | S158-G161 WeakPolarHBondContact CA-O 3.38Å; S158-G161 PolarHBondContact O-N 3.02Å; G161-I163 PolarHBondContact O-N 3.46Å |
| 162 | Q | 96.1 | Very high | 96.4 | Very high | 141 Ų | 141 | 52.6 Ų | 52.6 | 66% | 0.659 | 28% | 0.282 | S | S | * | . | trans | -67.9 | 128.8 | -177.1 | -169.4 | 179.4 | 27.5 | 0 | 0 | 111.6 | T185 | Q162-T185 HydrophobicContact CB-CG2 4.04Å; Q162-T185 HydrophobicContact CG-CG2 3.78Å; Q162-T185 PolarHBondContact O-N 3.37Å; Q162-T185 PolarHBondContact O-OG1 2.77Å | ||
| 163 | I | 96.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.9 | 179.6 | -66.7 | 170.7 | 0 | 0 | 0 | 109.4 | K57 E154 F157 G161 R165 A166 V182 F184 | K57-I163 PolarHBondContact NZ-O 3.39Å; E154-I163 HydrophobicContact CB-CD1 4.46Å; E154-I163 HydrophobicContact CG-CB 4.23Å; E154-I163 HydrophobicContact CG-CD1 3.94Å; E154-I163 HydrophobicContact CG-CG2 4.05Å; E154-I163 WeakPolarHBondContact O-CD1 3.4Å; F157-I163 HydrophobicContact CB-CD1 3.57Å; F157-I163 HydrophobicContact CB-CG1 4.46Å; G161-I163 PolarHBondContact O-N 3.46Å; I163-R165 VanDerWaalsContact CG2-C 3.46Å; I163-R165 VanDerWaalsContact CG2-N 3.31Å; I163-R165 WeakPolarHBondContact CG2-O 3.41Å; I163-A166 HydrophobicContact CG2-CB 4.4Å; I163-V182 HydrophobicContact CD1-CG1 4.39Å; I163-V182 HydrophobicContact CG1-CG1 4.39Å; I163-F184 HydrophobicContact CG1-CD1 4.18Å; I163-F184 HydrophobicContact CG1-CE1 3.99Å |
| 164 | E | 93.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -44.1 | 166.7 | -69.6 | -171 | 167 | 0 | 0 | 110.6 | K57 T60 Q61 H135 E183 T185 | K57-E164 WeakPolarHBondContact CD-O 3.49Å; T60-E164 VanDerWaalsContact CB-OE2 3.29Å; T60-E164 WeakPolarHBondContact CB-OE2 3.16Å; T60-E164 HydrophobicContact CG2-CB 4.03Å; T60-E164 HydrophobicContact CG2-CG 4.1Å; Q61-E164 PolarHBondContact N-OE1 3.16Å; Q61-E164 PolarHBondContact N-OE2 3.19Å; H135-E164 IonicContact NE2-OE2 3.41Å; E164-E183 HydrophobicContact CB-CB 4.41Å; E164-E183 PolarHBondContact N-O 2.92Å; E164-T185 HydrophobicContact CG-CG2 3.42Å; E164-T185 VanDerWaalsContact CG-CG2 3.42Å |
| 165 | R | 94.1 | Very high | 96.1 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 138.7 | -177.3 | 179.6 | -178.5 | 176.4 | -143.3 | 7.3 | 110.8 | I163 L167 E183 | I163-R165 VanDerWaalsContact CG2-C 3.46Å; I163-R165 VanDerWaalsContact CG2-N 3.31Å; I163-R165 WeakPolarHBondContact CG2-O 3.41Å; R165-L167 HydrophobicContact CG-CG 4.16Å; R165-E183 HydrophobicContact CB-CB 4.24Å; R165-E183 WeakPolarHBondContact CB-OE2 3.24Å; R165-E183 WeakPolarHBondContact CD-OE2 3.18Å; R165-E183 IonicContact CZ-OE1 2.63Å; R165-E183 PolarHBondContact N-O 3.11Å; R165-E183 IonicContact NH1-OE1 3.11Å; R165-E183 PolarHBondContact NH1-OE1 2.79Å; R165-E183 PolarHBondContact O-N 2.86Å |
| 166 | A | 96.7 | Very high | 96 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L153 E154 I163 I181 V182 | L153-A166 HydrophobicContact CB-CB 4.27Å; L153-A166 HydrophobicContact CD2-CB 4.26Å; L153-A166 HydrophobicContact CG-CB 4.13Å; E154-A166 HydrophobicContact CB-CB 3.82Å; I163-A166 HydrophobicContact CG2-CB 4.4Å; A166-I181 CarbonylContact C-O 3.45Å; A166-I181 VanDerWaalsContact CA-O 3.32Å; A166-I181 WeakPolarHBondContact CA-O 3.38Å; A166-V182 HydrophobicContact CB-CG2 4.35Å |
| 167 | L | 96.2 | Very high | 96 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.3 | 178 | -77 | -175.7 | 0 | 0 | 0 | 111.7 | N150 R165 G180 I181 | N150-L167 WeakPolarHBondContact OD1-CA 3.31Å; R165-L167 HydrophobicContact CG-CG 4.16Å; L167-G180 CarbonylContact O-C 3.54Å; L167-G180 WeakPolarHBondContact O-CA 3.48Å; L167-I181 PolarHBondContact N-O 2.82Å; L167-I181 PolarHBondContact O-N 2.75Å |
| 168 | V | 97.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.8 | 165.8 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | L144 V148 N150 L153 P176 | L144-V168 HydrophobicContact CD1-CG1 4.37Å; L144-V168 HydrophobicContact CD1-CG2 4.21Å; V148-V168 HydrophobicContact CG1-CG2 4.36Å; N150-V168 PolarHBondContact OD1-N 3.49Å; L153-V168 HydrophobicContact CD2-CG2 4.15Å; V168-P176 HydrophobicContact CG1-CB 4.14Å |
| 169 | I | 96.9 | Very high | 95.8 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.6 | 179.9 | -59.7 | 172.6 | 0 | 0 | 0 | 107.7 | T177 K179 I181 | I169-T177 WeakPolarHBondContact CB-OG1 3.45Å; I169-T177 HydrophobicContact CG2-CG2 4.1Å; I169-T177 WeakPolarHBondContact O-CB 3.46Å; I169-T177 WeakPolarHBondContact O-CG2 3.21Å; I169-T177 PolarHBondContact O-N 3.37Å; I169-T177 PolarHBondContact O-OG1 2.91Å; I169-K179 HydrophobicContact CB-CB 4.44Å; I169-K179 WeakPolarHBondContact CB-O 3.48Å; I169-K179 HydrophobicContact CD1-CB 4.01Å; I169-K179 PolarHBondContact N-O 2.89Å; I169-I181 HydrophobicContact CD1-CD1 4.17Å; I169-I181 HydrophobicContact CD1-CG1 4.09Å; I169-I181 HydrophobicContact CG1-CD1 4.42Å; I169-I181 HydrophobicContact CG1-CG1 4.42Å |
| 170 | V | 96.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 61.8 Ų | 61.8 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 153.8 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | R175 | V170-R175 CarbonylContact C-O 3.55Å; V170-R175 WeakPolarHBondContact CA-O 3.28Å |
| 171 | D | 95.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.214 | 32% | 0.324 | C | S | . | . | trans | -73.5 | 179.8 | 171.1 | 73.3 | 3.4 | 0 | 0 | 0 | 111.5 | R173 G174 R175 T177 | D171-R173 PolarHBondContact O-N 2.92Å; D171-R173 VanDerWaalsContact O-N 3.11Å; D171-R173 VanDerWaalsContact OD1-C 3.29Å; D171-R173 VanDerWaalsContact OD1-CA 3.31Å; D171-R173 WeakPolarHBondContact OD1-CA 3.47Å; D171-R173 WeakPolarHBondContact OD1-CB 3.48Å; D171-R173 PolarHBondContact OD1-N 3.18Å; D171-G174 PolarHBondContact O-N 3.4Å; D171-G174 PolarHBondContact OD1-N 3.5Å; D171-R175 PolarHBondContact N-O 3.33Å; D171-R175 WeakPolarHBondContact OD1-CB 3.43Å; D171-R175 PolarHBondContact OD1-N 3.37Å; D171-R175 IonicContact OD1-NE 3.17Å; D171-R175 IonicContact OD2-CZ 3.25Å; D171-R175 VanDerWaalsContact OD2-CZ 3.25Å; D171-R175 IonicContact OD2-NE 2.72Å; D171-R175 PolarHBondContact OD2-NE 3.32Å; D171-R175 IonicContact OD2-NH2 3.41Å; D171-R175 PolarHBondContact OD2-NH2 2.87Å; D171-T177 HydrophobicContact CB-CG2 4.27Å | ||
| 172 | D | 96.2 | Very high | 95.9 | Very high | 151 Ų | 151 | 61.5 Ų | 61.5 | 81% | 0.807 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.1 | 176.7 | 63.2 | -31.6 | 0 | 0 | 0 | 113.8 | ||
| 173 | R | 95.6 | Very high | 96 | Very high | 191 Ų | 191 | 55.3 Ų | 55.3 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3.3 | 177.5 | -57.8 | 178.9 | -178 | -163.3 | -1.6 | 112.9 | D171 R175 | D171-R173 PolarHBondContact O-N 2.92Å; D171-R173 VanDerWaalsContact O-N 3.11Å; D171-R173 VanDerWaalsContact OD1-C 3.29Å; D171-R173 VanDerWaalsContact OD1-CA 3.31Å; D171-R173 WeakPolarHBondContact OD1-CA 3.47Å; D171-R173 WeakPolarHBondContact OD1-CB 3.48Å; D171-R173 PolarHBondContact OD1-N 3.18Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 HydrophobicContact CB-CG 4.49Å |
| 174 | G | 93.5 | Very high | 96 | Very high | 49 Ų | 49 | 55 Ų | 55 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 78.7 | 11.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D171 | D171-G174 PolarHBondContact O-N 3.4Å; D171-G174 PolarHBondContact OD1-N 3.5Å |
| 175 | R | 95.2 | Very high | 96 | Very high | 142 Ų | 142 | 56.5 Ų | 56.5 | 54% | 0.536 | 29% | 0.292 | S | S | . | . | trans | -83.6 | 141.2 | 176.2 | -59.4 | 179.9 | -63 | 170.8 | 4.3 | 110.4 | V170 D171 R173 T177 | V170-R175 CarbonylContact C-O 3.55Å; V170-R175 WeakPolarHBondContact CA-O 3.28Å; D171-R175 PolarHBondContact N-O 3.33Å; D171-R175 WeakPolarHBondContact OD1-CB 3.43Å; D171-R175 PolarHBondContact OD1-N 3.37Å; D171-R175 IonicContact OD1-NE 3.17Å; D171-R175 IonicContact OD2-CZ 3.25Å; D171-R175 VanDerWaalsContact OD2-CZ 3.25Å; D171-R175 IonicContact OD2-NE 2.72Å; D171-R175 PolarHBondContact OD2-NE 3.32Å; D171-R175 IonicContact OD2-NH2 3.41Å; D171-R175 PolarHBondContact OD2-NH2 2.87Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 HydrophobicContact CB-CG 4.49Å; R175-T177 PolarHBondContact O-N 3.29Å | ||
| 176 | P | 95.9 | Very high | 96 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 133.4 | 179.8 | 27.9 | -34.6 | 0 | 0 | 0 | 110.7 | E146 V168 G178 | E146-P176 HydrophobicContact CG-CG 3.87Å; V168-P176 HydrophobicContact CG1-CB 4.14Å; P176-G178 VanDerWaalsContact C-N 3.27Å; P176-G178 PolarHBondContact O-N 3.43Å |
| 177 | T | 95.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 37% | 0.368 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -1.9 | -179.9 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | I169 D171 R175 K179 | I169-T177 WeakPolarHBondContact CB-OG1 3.45Å; I169-T177 HydrophobicContact CG2-CG2 4.1Å; I169-T177 WeakPolarHBondContact O-CB 3.46Å; I169-T177 WeakPolarHBondContact O-CG2 3.21Å; I169-T177 PolarHBondContact O-N 3.37Å; I169-T177 PolarHBondContact O-OG1 2.91Å; D171-T177 HydrophobicContact CB-CG2 4.27Å; R175-T177 PolarHBondContact O-N 3.29Å; T177-K179 PolarHBondContact O-N 2.68Å; T177-K179 PolarHBondContact OG1-N 2.68Å |
| 178 | G | 94.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.9 | 9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K142 N143 L144 P176 | K142-G178 CarbonylContact C-O 3.47Å; N143-G178 PolarHBondContact N-O 2.75Å; N143-G178 VanDerWaalsContact N-O 3.09Å; L144-G178 PolarHBondContact N-O 3.05Å; P176-G178 VanDerWaalsContact C-N 3.27Å; P176-G178 PolarHBondContact O-N 3.43Å |
| 179 | K | 97.1 | Very high | 95.9 | Very high | 112 Ų | 112 | 62.5 Ų | 62.5 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.5 | 176.2 | -60.5 | 179 | -176.9 | 175.4 | 0 | 111 | I141 I169 T177 | I141-K179 CarbonylContact O-C 3.58Å; I141-K179 VanDerWaalsContact O-CA 3.23Å; I141-K179 WeakPolarHBondContact O-CA 3.03Å; I169-K179 HydrophobicContact CB-CB 4.44Å; I169-K179 WeakPolarHBondContact CB-O 3.48Å; I169-K179 HydrophobicContact CD1-CB 4.01Å; I169-K179 PolarHBondContact N-O 2.89Å; T177-K179 PolarHBondContact O-N 2.68Å; T177-K179 PolarHBondContact OG1-N 2.68Å |
| 180 | G | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 170.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I141 L167 | I141-G180 PolarHBondContact N-O 3.41Å; I141-G180 PolarHBondContact O-N 3.34Å; L167-G180 CarbonylContact O-C 3.54Å; L167-G180 WeakPolarHBondContact O-CA 3.48Å |
| 181 | I | 97.4 | Very high | 95.9 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 14% | 0.138 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.8 | -179.9 | -59.5 | 169.7 | 0 | 0 | 0 | 107.4 | L139 A166 L167 I169 E183 M216 | L139-I181 WeakPolarHBondContact O-CA 3.42Å; A166-I181 CarbonylContact C-O 3.45Å; A166-I181 VanDerWaalsContact CA-O 3.32Å; A166-I181 WeakPolarHBondContact CA-O 3.38Å; L167-I181 PolarHBondContact N-O 2.82Å; L167-I181 PolarHBondContact O-N 2.75Å; I169-I181 HydrophobicContact CD1-CD1 4.17Å; I169-I181 HydrophobicContact CD1-CG1 4.09Å; I169-I181 HydrophobicContact CG1-CD1 4.42Å; I169-I181 HydrophobicContact CG1-CG1 4.42Å; I181-E183 HydrophobicContact CG2-CG 4.1Å; I181-M216 HydrophobicContact CD1-CE 3.83Å; I181-M216 HydrophobicContact CG1-CE 4.29Å; I181-M216 HydrophobicContact CG2-CE 4.46Å; I181-M216 HydrophobicContact CG2-SD 3.85Å |
| 182 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.1 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | A138 L139 I141 L153 F157 I163 A166 F184 | A138-V182 WeakPolarHBondContact CA-O 3.28Å; L139-V182 PolarHBondContact N-O 2.77Å; L139-V182 PolarHBondContact O-N 3.33Å; I141-V182 HydrophobicContact CD1-CB 4.35Å; I141-V182 HydrophobicContact CD1-CG2 4.04Å; I141-V182 HydrophobicContact CG1-CB 4.4Å; I141-V182 HydrophobicContact CG1-CG2 3.7Å; L153-V182 HydrophobicContact CD1-CG2 4.28Å; L153-V182 HydrophobicContact CD2-CG2 4Å; L153-V182 HydrophobicContact CG-CG2 3.93Å; F157-V182 HydrophobicContact CB-CG1 3.92Å; F157-V182 HydrophobicContact CB-CG2 4.48Å; F157-V182 HydrophobicContact CD1-CG1 4.14Å; F157-V182 HydrophobicContact CD1-CG2 4.35Å; F157-V182 HydrophobicContact CD2-CG2 3.99Å; F157-V182 HydrophobicContact CE2-CG2 4.29Å; F157-V182 HydrophobicContact CG-CG1 4.05Å; F157-V182 HydrophobicContact CG-CG2 4.02Å; I163-V182 HydrophobicContact CD1-CG1 4.39Å; I163-V182 HydrophobicContact CG1-CG1 4.39Å; A166-V182 HydrophobicContact CB-CG2 4.35Å; V182-F184 HydrophobicContact CG1-CD2 4.01Å; V182-F184 HydrophobicContact CG1-CE2 3.57Å; V182-F184 HydrophobicContact CG1-CZ 4Å |
| 183 | E | 96.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116 | 179 | -70 | 167.7 | -165.2 | 0 | 0 | 108.8 | R62 A138 E164 R165 I181 | R62-E183 WeakPolarHBondContact CD-OE2 3.46Å; R62-E183 WeakPolarHBondContact CG-OE2 2.97Å; A138-E183 HydrophobicContact CB-CG 4.12Å; E164-E183 HydrophobicContact CB-CB 4.41Å; E164-E183 PolarHBondContact N-O 2.92Å; R165-E183 HydrophobicContact CB-CB 4.24Å; R165-E183 WeakPolarHBondContact CB-OE2 3.24Å; R165-E183 WeakPolarHBondContact CD-OE2 3.18Å; R165-E183 IonicContact CZ-OE1 2.63Å; R165-E183 PolarHBondContact N-O 3.11Å; R165-E183 IonicContact NH1-OE1 3.11Å; R165-E183 PolarHBondContact NH1-OE1 2.79Å; R165-E183 PolarHBondContact O-N 2.86Å; I181-E183 HydrophobicContact CG2-CG 4.1Å |
| 184 | F | 97 | Very high | 96 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 151.5 | 175.6 | -73.3 | -88.3 | 0 | 0 | 0 | 111.8 | Q61 H135 A137 L139 F157 F160 I163 V182 A186 A189 A190 A193 | Q61-F184 PolarHBondContact NE2-O 3.41Å; H135-F184 PolarHBondContact CE1-O 3.17Å; A137-F184 HydrophobicContact CB-CB 4.13Å; A137-F184 WeakPolarHBondContact CB-O 3.46Å; A137-F184 PolarHBondContact O-N 2.72Å; L139-F184 HydrophobicContact CD1-CD2 4.29Å; L139-F184 HydrophobicContact CD1-CE2 3.83Å; F157-F184 HydrophobicContact CB-CZ 4.04Å; F157-F184 HydrophobicContact CD1-CE2 4.23Å; F157-F184 AromaticContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CD1-CZ 3.95Å; F157-F184 HydrophobicContact CG-CZ 4.5Å; F160-F184 HydrophobicContact CB-CE1 4.06Å; F160-F184 HydrophobicContact CB-CZ 4.06Å; I163-F184 HydrophobicContact CG1-CD1 4.18Å; I163-F184 HydrophobicContact CG1-CE1 3.99Å; V182-F184 HydrophobicContact CG1-CD2 4.01Å; V182-F184 HydrophobicContact CG1-CE2 3.57Å; V182-F184 HydrophobicContact CG1-CZ 4Å; F184-A186 PolarHBondContact O-N 2.8Å; F184-A189 HydrophobicContact CB-CB 4.31Å; F184-A189 HydrophobicContact CD1-CB 3.6Å; F184-A189 HydrophobicContact CE1-CB 4.14Å; F184-A189 HydrophobicContact CG-CB 4.09Å; F184-A190 HydrophobicContact CB-CB 4.25Å; F184-A190 HydrophobicContact CD2-CB 3.74Å; F184-A190 HydrophobicContact CE2-CB 4.45Å; F184-A190 HydrophobicContact CG-CB 4.23Å; F184-A193 HydrophobicContact CE2-CB 4.01Å; F184-A193 HydrophobicContact CZ-CB 3.9Å |
| 185 | T | 93.9 | Very high | 96.1 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -64 | -31.3 | 173.1 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | Q162 E164 | Q162-T185 HydrophobicContact CB-CG2 4.04Å; Q162-T185 HydrophobicContact CG-CG2 3.78Å; Q162-T185 PolarHBondContact O-N 3.37Å; Q162-T185 PolarHBondContact O-OG1 2.77Å; E164-T185 HydrophobicContact CG-CG2 3.42Å; E164-T185 VanDerWaalsContact CG-CG2 3.42Å |
| 186 | A | 93.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 35% | 0.347 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -134 | 139.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F184 P188 A189 A190 | F184-A186 PolarHBondContact O-N 2.8Å; A186-P188 VanDerWaalsContact C-CD 3.45Å; A186-A189 PolarHBondContact O-N 3Å; A186-A190 PolarHBondContact O-N 2.78Å |
| 187 | K | 94.4 | Very high | 96.1 | Very high | 119 Ų | 119 | 52 Ų | 52 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.1 | -39.5 | 178.1 | -62.1 | -175.2 | 173.1 | 179.7 | 0 | 114.6 | A137 A189 A190 R191 | A137-K187 HydrophobicContact CB-CG 4.19Å; K187-A189 VanDerWaalsContact C-N 3.31Å; K187-A189 PolarHBondContact O-N 3.44Å; K187-A190 PolarHBondContact O-N 2.73Å; K187-R191 PolarHBondContact O-N 2.78Å |
| 188 | P | 96.9 | Very high | 96 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -36.2 | 178.8 | -25.1 | 36.2 | 0 | 0 | 0 | 113.5 | A186 R191 K192 | A186-P188 VanDerWaalsContact C-CD 3.45Å; P188-R191 PolarHBondContact O-N 2.87Å; P188-K192 WeakPolarHBondContact O-CB 3.36Å; P188-K192 PolarHBondContact O-N 2.82Å |
| 189 | A | 97.1 | Very high | 96 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F184 A186 K187 R191 K192 A193 | F184-A189 HydrophobicContact CB-CB 4.31Å; F184-A189 HydrophobicContact CD1-CB 3.6Å; F184-A189 HydrophobicContact CE1-CB 4.14Å; F184-A189 HydrophobicContact CG-CB 4.09Å; A186-A189 PolarHBondContact O-N 3Å; K187-A189 VanDerWaalsContact C-N 3.31Å; K187-A189 PolarHBondContact O-N 3.44Å; A189-R191 PolarHBondContact O-N 3.03Å; A189-K192 PolarHBondContact O-N 3.29Å; A189-A193 PolarHBondContact O-N 2.99Å |
| 190 | A | 96.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A137 L139 F184 A186 K187 A193 L194 | A137-A190 HydrophobicContact CB-CB 3.98Å; L139-A190 HydrophobicContact CD1-CB 4.24Å; L139-A190 HydrophobicContact CD2-CB 4.39Å; L139-A190 HydrophobicContact CG-CB 4.27Å; F184-A190 HydrophobicContact CB-CB 4.25Å; F184-A190 HydrophobicContact CD2-CB 3.74Å; F184-A190 HydrophobicContact CE2-CB 4.45Å; F184-A190 HydrophobicContact CG-CB 4.23Å; A186-A190 PolarHBondContact O-N 2.78Å; K187-A190 PolarHBondContact O-N 2.73Å; A190-A193 PolarHBondContact O-N 2.87Å; A190-L194 WeakPolarHBondContact O-CB 3.03Å; A190-L194 PolarHBondContact O-N 2.85Å |
| 191 | R | 96.6 | Very high | 95.7 | Very high | 177 Ų | 177 | 61 Ų | 61 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.2 | -46.5 | 174.8 | -75.3 | -175.7 | -179.6 | -174.5 | -2.2 | 112 | K187 P188 A189 A193 L194 D195 | K187-R191 PolarHBondContact O-N 2.78Å; P188-R191 PolarHBondContact O-N 2.87Å; A189-R191 PolarHBondContact O-N 3.03Å; R191-A193 VanDerWaalsContact C-N 3.28Å; R191-A193 PolarHBondContact O-N 3.38Å; R191-L194 WeakPolarHBondContact O-CB 3.47Å; R191-L194 PolarHBondContact O-N 3.47Å; R191-L194 VanDerWaalsContact O-N 3.14Å; R191-D195 WeakPolarHBondContact O-CB 3.32Å; R191-D195 PolarHBondContact O-N 3.44Å |
| 192 | K | 96.6 | Very high | 95.6 | Very high | 113 Ų | 113 | 62.2 Ų | 62.2 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 176.7 | -175.6 | -172.8 | 176.4 | -169.3 | 0 | 112 | F160 P188 A189 K196 | F160-K192 HydrophobicContact CD1-CG 4.39Å; P188-K192 WeakPolarHBondContact O-CB 3.36Å; P188-K192 PolarHBondContact O-N 2.82Å; A189-K192 PolarHBondContact O-N 3.29Å; K192-K196 VanDerWaalsContact O-CB 3.26Å; K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 PolarHBondContact O-N 3.42Å; K192-K196 VanDerWaalsContact O-N 3.14Å |
| 193 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L139 F157 F160 F184 A189 A190 R191 C197 | L139-A193 HydrophobicContact CD1-CB 4Å; F157-A193 HydrophobicContact CD1-CB 4.28Å; F157-A193 HydrophobicContact CE1-CB 4.43Å; F160-A193 HydrophobicContact CB-CB 3.83Å; F160-A193 HydrophobicContact CD1-CB 4.05Å; F160-A193 HydrophobicContact CD2-CB 3.71Å; F160-A193 HydrophobicContact CE2-CB 4.28Å; F160-A193 HydrophobicContact CG-CB 3.6Å; F184-A193 HydrophobicContact CE2-CB 4.01Å; F184-A193 HydrophobicContact CZ-CB 3.9Å; A189-A193 PolarHBondContact O-N 2.99Å; A190-A193 PolarHBondContact O-N 2.87Å; R191-A193 VanDerWaalsContact C-N 3.28Å; R191-A193 PolarHBondContact O-N 3.38Å; A193-C197 VanDerWaalsContact O-CB 3.31Å; A193-C197 WeakPolarHBondContact O-CB 3.43Å; A193-C197 PolarHBondContact O-N 3.41Å; A193-C197 PolarHBondContact O-SG 3.47Å |
| 194 | L | 96.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.4 | -52.3 | 179.1 | -176 | 67.5 | 0 | 0 | 0 | 111.8 | A190 R191 K196 C197 N198 V213 P215 | A190-L194 WeakPolarHBondContact O-CB 3.03Å; A190-L194 PolarHBondContact O-N 2.85Å; R191-L194 WeakPolarHBondContact O-CB 3.47Å; R191-L194 PolarHBondContact O-N 3.47Å; R191-L194 VanDerWaalsContact O-N 3.14Å; L194-K196 PolarHBondContact O-N 3.44Å; L194-C197 PolarHBondContact O-N 2.96Å; L194-N198 WeakPolarHBondContact O-CB 3.42Å; L194-N198 VanDerWaalsContact O-CG 3.23Å; L194-N198 PolarHBondContact O-N 2.96Å; L194-N198 PolarHBondContact O-ND2 3.47Å; L194-V213 HydrophobicContact CD1-CB 4.38Å; L194-V213 HydrophobicContact CD1-CG1 4.02Å; L194-V213 WeakPolarHBondContact CD1-O 3.44Å; L194-P215 HydrophobicContact CD1-CG 4.5Å; L194-P215 HydrophobicContact CD2-CG 3.95Å |
| 195 | D | 96.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | -177.6 | -61.7 | -22 | 0 | 0 | 0 | 110.5 | R191 C197 N198 D199 | R191-D195 WeakPolarHBondContact O-CB 3.32Å; R191-D195 PolarHBondContact O-N 3.44Å; D195-C197 PolarHBondContact O-N 2.98Å; D195-N198 PolarHBondContact O-N 3.21Å; D195-D199 PolarHBondContact O-N 2.95Å |
| 196 | K | 96 | Very high | 95 | Very high | 122 Ų | 122 | 70.1 Ų | 70.1 | 53% | 0.53 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.5 | -34 | -177.5 | -176.6 | 158.3 | 169.5 | -170.6 | 0 | 113.5 | F160 K192 L194 S200 | F160-K196 HydrophobicContact CE1-CB 4.02Å; F160-K196 HydrophobicContact CE1-CD 3.91Å; F160-K196 HydrophobicContact CE1-CG 4.1Å; K192-K196 VanDerWaalsContact O-CB 3.26Å; K192-K196 WeakPolarHBondContact O-CB 3.35Å; K192-K196 PolarHBondContact O-N 3.42Å; K192-K196 VanDerWaalsContact O-N 3.14Å; L194-K196 PolarHBondContact O-N 3.44Å; K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.98Å; K196-S200 VanDerWaalsContact O-N 3.11Å |
| 197 | C | 94.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -78.3 | -21.7 | 177.1 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | A193 L194 D195 S200 V213 | A193-C197 VanDerWaalsContact O-CB 3.31Å; A193-C197 WeakPolarHBondContact O-CB 3.43Å; A193-C197 PolarHBondContact O-N 3.41Å; A193-C197 PolarHBondContact O-SG 3.47Å; L194-C197 PolarHBondContact O-N 2.96Å; D195-C197 PolarHBondContact O-N 2.98Å; C197-S200 VanDerWaalsContact O-O 3.07Å; C197-V213 HydrophobicContact CB-CB 3.99Å; C197-V213 HydrophobicContact CB-CG2 3.47Å; C197-V213 VanDerWaalsContact CB-CG2 3.47Å |
| 198 | N | 92.7 | Very high | 94.3 | Very high | 98 Ų | 98 | 68.1 Ų | 68.1 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -78 | -37.2 | 171.6 | -74.1 | -21 | 0 | 0 | 0 | 111.7 | L194 D195 | L194-N198 WeakPolarHBondContact O-CB 3.42Å; L194-N198 VanDerWaalsContact O-CG 3.23Å; L194-N198 PolarHBondContact O-N 2.96Å; L194-N198 PolarHBondContact O-ND2 3.47Å; D195-N198 PolarHBondContact O-N 3.21Å |
| 199 | D | 94 | Very high | 93.9 | Very high | 136 Ų | 136 | 67.2 Ų | 67.2 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -81.2 | -19.3 | -179.4 | -69.5 | -16.4 | 0 | 0 | 0 | 113.5 | D195 | D195-D199 PolarHBondContact O-N 2.95Å |
| 200 | S | 93.7 | Very high | 93.8 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -144.4 | 145 | -172.8 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | K196 C197 Y202 | K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.98Å; K196-S200 VanDerWaalsContact O-N 3.11Å; C197-S200 VanDerWaalsContact O-O 3.07Å; S200-Y202 PolarHBondContact O-N 3.26Å |
| 201 | A | 94.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | trans | -68.1 | 102.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P210 | A201-P210 HydrophobicContact CB-CB 4.06Š| ||
| 202 | Y | 95.8 | Very high | 93.8 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | trans | -92.3 | 117.1 | 178 | -168.8 | -137.5 | 0 | 0 | 0 | 110.9 | A156 F157 F160 S200 L204 P210 I211 | A156-Y202 VanDerWaalsContact C-OH 3.26Å; A156-Y202 PolarHBondContact O-OH 3.46Å; F157-Y202 HydrophobicContact CE2-CE1 4.35Å; F160-Y202 HydrophobicContact CE2-CD1 4.31Å; F160-Y202 AromaticContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CE2-CE1 3.75Å; F160-Y202 HydrophobicContact CZ-CD1 4.28Å; F160-Y202 HydrophobicContact CZ-CE1 4.06Å; S200-Y202 PolarHBondContact O-N 3.26Å; Y202-L204 HydrophobicContact CD1-CD2 4.23Å; Y202-L204 HydrophobicContact CE1-CD2 3.76Å; Y202-P210 WeakPolarHBondContact O-CA 3.43Å; Y202-I211 HydrophobicContact CD1-CD1 3.64Å; Y202-I211 HydrophobicContact CD1-CG1 4.2Å; Y202-I211 HydrophobicContact CE1-CD1 4.22Å; Y202-I211 PolarHBondContact O-N 2.95Å; Y202-I211 VanDerWaalsContact O-N 3.15Å | ||
| 203 | L | 95.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -108.1 | 132.2 | -173.6 | -52.8 | -179.8 | 0 | 0 | 0 | 110 | P208 P210 | L203-P208 HydrophobicContact CD1-CB 4.12Å; L203-P210 HydrophobicContact CD2-CB 4.25Å |
| 204 | L | 94.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 61.6 Ų | 61.6 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | trans | -100.3 | -16.8 | -179.7 | -59.2 | -170.4 | 0 | 0 | 0 | 113.9 | L144 V148 L153 A156 Y202 I211 | L144-L204 HydrophobicContact CD2-CD1 3.72Å; V148-L204 HydrophobicContact CG1-CD1 4.17Å; V148-L204 HydrophobicContact CG2-CB 4.21Å; V148-L204 HydrophobicContact CG2-CD1 4.23Å; L153-L204 HydrophobicContact CD1-CD1 3.98Å; A156-L204 HydrophobicContact CB-CD2 3.49Å; A156-L204 VanDerWaalsContact CB-CD2 3.49Å; Y202-L204 HydrophobicContact CD1-CD2 4.23Å; Y202-L204 HydrophobicContact CE1-CD2 3.76Å; L204-I211 HydrophobicContact CD1-CD1 4.1Å; L204-I211 HydrophobicContact CD1-CG2 3.82Å; L204-I211 HydrophobicContact CD2-CD1 4.14Å; L204-I211 HydrophobicContact CG-CD1 4.14Å; L204-I211 HydrophobicContact CG-CG2 3.87Å | ||
| 205 | T | 93.4 | Very high | 93.7 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -138.6 | 176.9 | -174.3 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | P145 V148 F207 | P145-T205 HydrophobicContact CB-CG2 4.16Å; P145-T205 HydrophobicContact CG-CG2 4.16Å; V148-T205 HydrophobicContact CG2-CG2 3.89Å; T205-F207 PolarHBondContact O-N 3.16Å; T205-F207 WeakPolarHBondContact OG1-CB 3.29Å; T205-F207 PolarHBondContact OG1-N 3.4Å; T205-F207 PolarHBondContact OG1-O 3.32Å |
| 206 | A | 88.7 | Confident | 93.6 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.6 | -14.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R293 | A206-R293 PolarHBondContact O-NH1 2.91Š|
| 207 | F | 85.3 | Confident | 93.4 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -82.6 | 119.8 | 171.5 | -170.2 | -110.2 | 0 | 0 | 0 | 108.9 | T205 R209 E286 M289 | T205-F207 PolarHBondContact O-N 3.16Å; T205-F207 WeakPolarHBondContact OG1-CB 3.29Å; T205-F207 PolarHBondContact OG1-N 3.4Å; T205-F207 PolarHBondContact OG1-O 3.32Å; F207-R209 HydrophobicContact CD1-CB 3.49Å; F207-R209 VanDerWaalsContact CD1-CB 3.49Å; F207-R209 HydrophobicContact CE1-CB 3.61Å; F207-R209 HydrophobicContact CE1-CG 4.43Å; F207-R209 PolarHBondContact O-N 3.28Å; F207-E286 HydrophobicContact CE2-CG 4.26Å; F207-E286 HydrophobicContact CZ-CB 4.44Å; F207-E286 HydrophobicContact CZ-CG 3.71Å; F207-E286 WeakPolarHBondContact CZ-OE1 3.01Å; F207-M289 HydrophobicContact CD2-CE 3.77Å; F207-M289 HydrophobicContact CE1-CE 4.29Å; F207-M289 HydrophobicContact CE2-CE 3.14Å; F207-M289 HydrophobicContact CZ-CE 3.44Å; F207-M289 VanDerWaalsContact CZ-CE 3.44Å |
| 208 | P | 88.8 | Confident | 92.9 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | trans | -80.1 | 47.7 | -171 | 37 | -40.9 | 0 | 0 | 0 | 112.4 | L203 P210 M289 | L203-P208 HydrophobicContact CD1-CB 4.12Å; P208-P210 WeakPolarHBondContact O-CD 3.38Å; P208-M289 HydrophobicContact CG-CE 3.5Å; P208-M289 HydrophobicContact CG-SD 3.32Å; P208-M289 WeakPolarHBondContact CG-SD 3.47Å | ||
| 209 | R | 88.8 | Confident | 92.6 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | trans | -91.3 | 114 | 171.1 | -175.9 | 175.7 | -174.5 | 176.5 | 1.3 | 109.3 | F207 | F207-R209 HydrophobicContact CD1-CB 3.49Å; F207-R209 VanDerWaalsContact CD1-CB 3.49Å; F207-R209 HydrophobicContact CE1-CB 3.61Å; F207-R209 HydrophobicContact CE1-CG 4.43Å; F207-R209 PolarHBondContact O-N 3.28Å | ||
| 210 | P | 94.6 | Very high | 92.1 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 141.2 | 176 | 29.7 | -33.5 | 0 | 0 | 0 | 110.4 | A201 Y202 L203 P208 | A201-P210 HydrophobicContact CB-CB 4.06Å; Y202-P210 WeakPolarHBondContact O-CA 3.43Å; L203-P210 HydrophobicContact CD2-CB 4.25Å; P208-P210 WeakPolarHBondContact O-CD 3.38Å |
| 211 | I | 96.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | trans | -80 | 155.9 | 169.9 | 68.1 | 179.5 | 0 | 0 | 0 | 109.9 | I141 L144 F157 Y202 L204 V213 | I141-I211 HydrophobicContact CG2-CB 4.1Å; I141-I211 HydrophobicContact CG2-CD1 3.98Å; I141-I211 HydrophobicContact CG2-CG1 4.45Å; L144-I211 HydrophobicContact CD2-CG2 3.95Å; F157-I211 HydrophobicContact CE2-CD1 3.57Å; F157-I211 HydrophobicContact CZ-CD1 3.44Å; F157-I211 VanDerWaalsContact CZ-CD1 3.44Å; Y202-I211 HydrophobicContact CD1-CD1 3.64Å; Y202-I211 HydrophobicContact CD1-CG1 4.2Å; Y202-I211 HydrophobicContact CE1-CD1 4.22Å; Y202-I211 PolarHBondContact O-N 2.95Å; Y202-I211 VanDerWaalsContact O-N 3.15Å; L204-I211 HydrophobicContact CD1-CD1 4.1Å; L204-I211 HydrophobicContact CD1-CG2 3.82Å; L204-I211 HydrophobicContact CD2-CD1 4.14Å; L204-I211 HydrophobicContact CG-CD1 4.14Å; L204-I211 HydrophobicContact CG-CG2 3.87Å; I211-V213 HydrophobicContact CD1-CG2 4.32Å; I211-V213 HydrophobicContact CG1-CG2 4.33Å | ||
| 212 | T | 96.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 74.1 Ų | 74.1 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.7 | 172.4 | -54 | 0 | 0 | 0 | 0 | 108.7 | I141 K142 N143 E214 | I141-T212 CarbonylContact C-O 3.52Å; I141-T212 WeakPolarHBondContact CA-O 3.44Å; K142-T212 PolarHBondContact N-O 3.21Å; K142-T212 PolarHBondContact O-N 3.4Å; N143-T212 PolarHBondContact ND2-OG1 3.45Å; T212-E214 HydrophobicContact CG2-CG 4.37Å |
| 213 | V | 97 | Very high | 90.2 | Very high | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.012 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.5 | -178.2 | -175 | 0 | 0 | 0 | 0 | 108.5 | L139 I141 F157 L194 C197 I211 | L139-V213 HydrophobicContact CB-CG1 4.04Å; L139-V213 HydrophobicContact CD1-CG1 3.65Å; L139-V213 HydrophobicContact CD2-CG1 4.49Å; L139-V213 HydrophobicContact CG-CG1 4.27Å; I141-V213 HydrophobicContact CD1-CB 4.39Å; I141-V213 HydrophobicContact CD1-CG1 3.91Å; I141-V213 HydrophobicContact CD1-CG2 4.02Å; F157-V213 HydrophobicContact CE1-CG2 4.09Å; F157-V213 HydrophobicContact CZ-CG2 3.94Å; L194-V213 HydrophobicContact CD1-CB 4.38Å; L194-V213 HydrophobicContact CD1-CG1 4.02Å; L194-V213 WeakPolarHBondContact CD1-O 3.44Å; C197-V213 HydrophobicContact CB-CB 3.99Å; C197-V213 HydrophobicContact CB-CG2 3.47Å; C197-V213 VanDerWaalsContact CB-CG2 3.47Å; I211-V213 HydrophobicContact CD1-CG2 4.32Å; I211-V213 HydrophobicContact CG1-CG2 4.33Å |
| 214 | E | 96.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 72 Ų | 72 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151 | 178.4 | -68.2 | 175.1 | -162.3 | 0 | 0 | 109.9 | L139 S140 K142 T212 M216 | L139-E214 CarbonylContact C-O 3.57Å; L139-E214 WeakPolarHBondContact CA-O 3.11Å; S140-E214 PolarHBondContact N-O 3.16Å; S140-E214 PolarHBondContact O-N 2.87Å; K142-E214 WeakPolarHBondContact CE-OE1 3.44Å; K142-E214 WeakPolarHBondContact CE-OE2 3.48Å; K142-E214 IonicContact NZ-OE1 3.12Å; K142-E214 PolarHBondContact NZ-OE1 3.47Å; K142-E214 IonicContact NZ-OE2 3.61Å; K142-E214 PolarHBondContact NZ-OE2 3.33Å; T212-E214 HydrophobicContact CG2-CG 4.37Å; E214-M216 PolarHBondContact O-N 2.98Å |
| 215 | P | 95.8 | Very high | 89.5 | Confident | 84 Ų | 84 | 77.2 Ų | 77.2 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 135 | 167.5 | -21.6 | 33.6 | 0 | 0 | 0 | 110.4 | L194 E217 | L194-P215 HydrophobicContact CD1-CG 4.5Å; L194-P215 HydrophobicContact CD2-CG 3.95Å; P215-E217 PolarHBondContact O-N 3.22Å |
| 216 | M | 93.6 | Very high | 89.3 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 31% | 0.305 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 117.4 | 177.3 | -173.8 | 177.1 | -174.1 | 0 | 0 | 110.1 | A138 I181 E214 | A138-M216 HydrophobicContact CB-CB 3.83Å; A138-M216 HydrophobicContact CB-CG 4.45Å; A138-M216 HydrophobicContact CB-SD 3.91Å; A138-M216 WeakPolarHBondContact O-CB 2.98Å; A138-M216 PolarHBondContact O-N 3.37Å; I181-M216 HydrophobicContact CD1-CE 3.83Å; I181-M216 HydrophobicContact CG1-CE 4.29Å; I181-M216 HydrophobicContact CG2-CE 4.46Å; I181-M216 HydrophobicContact CG2-SD 3.85Å; E214-M216 PolarHBondContact O-N 2.98Å |
| 217 | E | 90.4 | Very high | 89.3 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 68% | 0.682 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 133.4 | 167 | -65.9 | -173.4 | 161.7 | 0 | 0 | 109.7 | P215 F219 | P215-E217 PolarHBondContact O-N 3.22Å; E217-F219 HydrophobicContact CB-CE2 3.73Å; E217-F219 HydrophobicContact CB-CZ 3.9Å; E217-F219 VanDerWaalsContact OE2-CZ 3.29Å; E217-F219 WeakPolarHBondContact OE2-CZ 3.45Å |
| 218 | Q | 86.3 | Confident | 89.5 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | trans | -116.4 | 114.4 | -177 | -73.2 | 166.3 | 44.7 | 0 | 0 | 108.5 | H135 | H135-Q218 PolarHBondContact O-NE2 2.92Š| ||
| 219 | F | 86.4 | Confident | 89.4 | Confident | 151 Ų | 151 | 81.6 Ų | 81.6 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | trans | -103.2 | 139.5 | 176.1 | -58.1 | -75.7 | 0 | 0 | 0 | 109.4 | E217 E221 | E217-F219 HydrophobicContact CB-CE2 3.73Å; E217-F219 HydrophobicContact CB-CZ 3.9Å; E217-F219 VanDerWaalsContact OE2-CZ 3.29Å; E217-F219 WeakPolarHBondContact OE2-CZ 3.45Å; F219-E221 HydrophobicContact CB-CG 4.47Å; F219-E221 PolarHBondContact O-N 3.44Å | ||
| 220 | D | 82.9 | Confident | 89.5 | Confident | 86 Ų | 86 | 80 Ų | 80 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | trans | -87.4 | 94.9 | 170.6 | -173.3 | -8.3 | 0 | 0 | 0 | 108.8 | D222 E223 | D220-D222 PolarHBondContact OD1-N 3.41Å; D220-D222 VanDerWaalsContact OD1-N 3.12Å; D220-E223 PolarHBondContact OD1-N 3.15Å | ||
| 221 | E | 83.6 | Confident | 89.4 | Confident | 176 Ų | 176 | 83.1 Ų | 83.1 | 82% | 0.822 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.3 | 177.1 | -62.8 | -177.9 | 176.5 | 0 | 0 | 112.7 | F219 | F219-E221 HydrophobicContact CB-CG 4.47Å; F219-E221 PolarHBondContact O-N 3.44Å |
| 222 | D | 79.3 | Confident | 89.3 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -44.7 | -173.8 | -72 | -36.4 | 0 | 0 | 0 | 112.2 | R115 D220 | R115-D222 IonicContact CZ-OD2 2.68Å; R115-D222 IonicContact NH1-OD2 3.67Å; R115-D222 PolarHBondContact NH1-OD2 2.93Å; R115-D222 IonicContact NH2-OD2 2.65Å; D220-D222 PolarHBondContact OD1-N 3.41Å; D220-D222 VanDerWaalsContact OD1-N 3.12Å |
| 223 | E | 80.4 | Confident | 89.3 | Confident | 36 Ų | 36 | 92 Ų | 92 | 17% | 0.168 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -37.7 | -176.4 | -157.3 | 179.3 | 167.9 | 0 | 0 | 113.5 | R129 R131 D220 P226 | R129-E223 IonicContact CZ-OE1 3.72Å; R129-E223 IonicContact CZ-OE2 3.95Å; R129-E223 IonicContact NE-OE1 3.61Å; R129-E223 IonicContact NE-OE2 3.51Å; R129-E223 VanDerWaalsContact NH2-CD 3.27Å; R129-E223 IonicContact NH2-OE1 3.56Å; R129-E223 PolarHBondContact NH2-OE1 3.31Å; R129-E223 IonicContact NH2-OE2 2.68Å; R129-E223 PolarHBondContact NH2-OE2 2.99Å; R131-E223 IonicContact CZ-OE1 3.7Å; R131-E223 IonicContact CZ-OE2 2.7Å; R131-E223 IonicContact NE-OE2 2.79Å; R131-E223 PolarHBondContact NE-OE2 3.01Å; R131-E223 VanDerWaalsContact NE-OE2 3.15Å; R131-E223 IonicContact NH1-OE1 2.65Å; R131-E223 IonicContact NH1-OE2 3.62Å; R131-E223 PolarHBondContact NH1-OE2 2.86Å; R131-E223 IonicContact NH2-OE1 2.79Å; R131-E223 PolarHBondContact NH2-OE1 3.22Å; R131-E223 IonicContact NH2-OE2 3.37Å; R131-E223 PolarHBondContact NH2-OE2 3.3Å; D220-E223 PolarHBondContact OD1-N 3.15Å; E223-P226 HydrophobicContact CG-CG 4.16Å |
| 224 | G | 87.4 | Confident | 89.2 | Confident | 50 Ų | 50 | 100.1 Ų | 100.1 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | trans | 55.6 | -142.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P226 | G224-P226 WeakPolarHBondContact O-CD 3.45Š| ||
| 225 | L | 87.1 | Confident | 89.2 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | trans | -119.5 | 90.6 | 178.3 | -174.4 | 63.5 | 0 | 0 | 0 | 110.9 | L229 I230 | L225-L229 HydrophobicContact CD1-CB 4.46Å; L225-I230 HydrophobicContact CD2-CG1 4.31Å; L225-I230 HydrophobicContact CG-CG1 4.2Å | ||
| 226 | P | 89.1 | Confident | 89.1 | Confident | 35 Ų | 35 | 99 Ų | 99 | 23% | 0.227 | 49% | 0.487 | C | S | . | . | trans | -61.3 | 143 | 177.2 | -25.4 | 34 | 0 | 0 | 0 | 113.3 | E223 G224 K228 L229 | E223-P226 HydrophobicContact CG-CG 4.16Å; G224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-K228 HydrophobicContact CB-CG 3.94Å; P226-K228 PolarHBondContact O-N 3.46Å; P226-K228 VanDerWaalsContact O-N 3.1Å; P226-L229 HydrophobicContact CB-CG 4.47Å; P226-L229 HydrophobicContact CG-CD1 4.39Å; P226-L229 WeakPolarHBondContact O-CB 3.48Å; P226-L229 PolarHBondContact O-N 3.4Å | ||
| 227 | E | 90.3 | Very high | 89.2 | Confident | 71 Ų | 71 | 101.2 Ų | 101.2 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -55 | -32.7 | 178.6 | -171.6 | 67.6 | -147.4 | 0 | 0 | 112.9 | L229 I230 Y236 R240 | E227-L229 PolarHBondContact O-N 3.31Å; E227-I230 PolarHBondContact O-N 3.34Å; E227-Y236 WeakPolarHBondContact OE1-CE2 3.36Å; E227-Y236 VanDerWaalsContact OE1-CZ 3.26Å; E227-Y236 PolarHBondContact OE1-OH 3.41Å; E227-R240 IonicContact OE1-NH2 3.25Å; E227-R240 IonicContact OE2-CZ 3Å; E227-R240 IonicContact OE2-NH1 3.98Å; E227-R240 IonicContact OE2-NH2 3.27Å; E227-R240 PolarHBondContact OE2-NH2 3.18Å |
| 228 | K | 88.6 | Confident | 89.5 | Confident | 139 Ų | 139 | 100.5 Ų | 100.5 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -61.1 | -22.4 | 176.5 | 64.4 | 176.2 | -179.7 | 175.9 | 0 | 113.6 | D120 P226 | D120-K228 IonicContact OD2-NZ 2.67Å; D120-K228 PolarHBondContact OD2-NZ 2.85Å; P226-K228 HydrophobicContact CB-CG 3.94Å; P226-K228 PolarHBondContact O-N 3.46Å; P226-K228 VanDerWaalsContact O-N 3.1Å |
| 229 | L | 86.4 | Confident | 89.9 | Confident | 87 Ų | 87 | 103 Ų | 103 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -98.8 | -8.3 | -178.8 | -57.5 | -174.8 | 0 | 0 | 0 | 113.3 | L225 P226 E227 | L225-L229 HydrophobicContact CD1-CB 4.46Å; P226-L229 HydrophobicContact CB-CG 4.47Å; P226-L229 HydrophobicContact CG-CD1 4.39Å; P226-L229 WeakPolarHBondContact O-CB 3.48Å; P226-L229 PolarHBondContact O-N 3.4Å; E227-L229 PolarHBondContact O-N 3.31Å |
| 230 | I | 92.1 | Very high | 90.3 | Very high | 45 Ų | 45 | 102.5 Ų | 102.5 | 23% | 0.231 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -74.6 | 129.9 | -178.9 | -60.2 | -179.9 | 0 | 0 | 0 | 109.7 | L225 E227 R232 Y236 | L225-I230 HydrophobicContact CD2-CG1 4.31Å; L225-I230 HydrophobicContact CG-CG1 4.2Å; E227-I230 PolarHBondContact O-N 3.34Å; I230-R232 PolarHBondContact O-N 2.95Å; I230-Y236 HydrophobicContact CG2-CD2 3.64Å; I230-Y236 HydrophobicContact CG2-CE2 3.89Å |
| 231 | N | 92.6 | Very high | 90.9 | Very high | 126 Ų | 126 | 105.1 Ų | 105.1 | 67% | 0.674 | 51% | 0.506 | S | S | * | . | trans | -71.8 | 117.5 | 176.1 | -172 | 7.1 | 0 | 0 | 0 | 110.8 | N233 | N231-N233 VanDerWaalsContact C-N 3.25Å; N231-N233 PolarHBondContact O-N 3.28Å | ||
| 232 | R | 93.7 | Very high | 91.4 | Very high | 162 Ų | 162 | 102 Ų | 102 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | trans | -83.7 | 64.3 | -176.6 | -60.2 | -177.8 | -176.5 | 179 | -0.2 | 111.7 | I230 Y236 | I230-R232 PolarHBondContact O-N 2.95Å; R232-Y236 HydrophobicContact CB-CD1 4.1Å; R232-Y236 HydrophobicContact CB-CE1 4.36Å; R232-Y236 HydrophobicContact CG-CD1 4.16Å; R232-Y236 HydrophobicContact CG-CE1 4Å | ||
| 233 | N | 95.1 | Very high | 92.1 | Very high | 79 Ų | 79 | 100.8 Ų | 100.8 | 42% | 0.422 | 49% | 0.489 | S | S | . | . | trans | -83 | 178.4 | 174.8 | 67.4 | 13.3 | 0 | 0 | 0 | 111.7 | N231 Q235 Y236 H237 | N231-N233 VanDerWaalsContact C-N 3.25Å; N231-N233 PolarHBondContact O-N 3.28Å; N233-Q235 PolarHBondContact O-N 2.97Å; N233-Q235 PolarHBondContact OD1-N 3.31Å; N233-Y236 WeakPolarHBondContact O-CB 3.49Å; N233-Y236 PolarHBondContact O-N 2.97Å; N233-Y236 PolarHBondContact OD1-N 2.79Å; N233-H237 PolarHBondContact O-CD2 3.38Å; N233-H237 PolarHBondContact O-N 2.81Å | ||
| 234 | Q | 96.1 | Very high | 93 | Very high | 172 Ų | 172 | 105.7 Ų | 105.7 | 80% | 0.804 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59 | -37 | 179.1 | -171.4 | 179 | 27.7 | 0 | 0 | 112.6 | H237 K238 | Q234-H237 PolarHBondContact O-N 2.77Å; Q234-K238 WeakPolarHBondContact O-CB 3.4Å; Q234-K238 PolarHBondContact O-N 3.09Å |
| 235 | Q | 95.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 109.2 Ų | 109.2 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 179.1 | -173.4 | 64.2 | 15.3 | 0 | 0 | 111.7 | N233 H237 K238 E239 | N233-Q235 PolarHBondContact O-N 2.97Å; N233-Q235 PolarHBondContact OD1-N 3.31Å; Q235-H237 VanDerWaalsContact C-N 3.32Å; Q235-H237 PolarHBondContact O-N 3.05Å; Q235-K238 PolarHBondContact O-N 3.25Å; Q235-E239 HydrophobicContact CG-CG 4.34Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.28Å; Q235-E239 PolarHBondContact NE2-OE1 2.96Å; Q235-E239 WeakPolarHBondContact O-CB 3.34Å; Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 2.96Å |
| 236 | Y | 94.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 112.4 Ų | 112.4 | 15% | 0.153 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -55.1 | -48.4 | 174.1 | 165.3 | -91 | 0 | 0 | 0 | 111.3 | E227 I230 R232 N233 R240 | E227-Y236 WeakPolarHBondContact OE1-CE2 3.36Å; E227-Y236 VanDerWaalsContact OE1-CZ 3.26Å; E227-Y236 PolarHBondContact OE1-OH 3.41Å; I230-Y236 HydrophobicContact CG2-CD2 3.64Å; I230-Y236 HydrophobicContact CG2-CE2 3.89Å; R232-Y236 HydrophobicContact CB-CD1 4.1Å; R232-Y236 HydrophobicContact CB-CE1 4.36Å; R232-Y236 HydrophobicContact CG-CD1 4.16Å; R232-Y236 HydrophobicContact CG-CE1 4Å; N233-Y236 WeakPolarHBondContact O-CB 3.49Å; N233-Y236 PolarHBondContact O-N 2.97Å; N233-Y236 PolarHBondContact OD1-N 2.79Å; Y236-R240 HydrophobicContact CD2-CG 4.29Å; Y236-R240 HydrophobicContact CE2-CG 4.08Å; Y236-R240 VanDerWaalsContact O-CB 3.31Å; Y236-R240 WeakPolarHBondContact O-CB 3.23Å; Y236-R240 WeakPolarHBondContact O-CG 3.26Å; Y236-R240 PolarHBondContact O-N 2.81Å; Y236-R240 VanDerWaalsContact O-N 3.11Å |
| 237 | H | 95.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 112.2 Ų | 112.2 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 179 | -74.1 | -66.1 | 0 | 0 | 0 | 111.6 | N233 Q234 Q235 E239 R240 E241 | N233-H237 PolarHBondContact O-CD2 3.38Å; N233-H237 PolarHBondContact O-N 2.81Å; Q234-H237 PolarHBondContact O-N 2.77Å; Q235-H237 VanDerWaalsContact C-N 3.32Å; Q235-H237 PolarHBondContact O-N 3.05Å; H237-E239 PolarHBondContact O-N 3.39Å; H237-R240 CarbonylContact O-C 3.36Å; H237-R240 PolarHBondContact O-N 3.28Å; H237-E241 WeakPolarHBondContact O-CG 3.46Å; H237-E241 PolarHBondContact O-N 3Å |
| 238 | K | 96.1 | Very high | 94.5 | Very high | 131 Ų | 131 | 115.5 Ų | 115.5 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.9 | -44.1 | 179 | -172.9 | 180 | 179.1 | -177.6 | 0 | 112.8 | Q234 Q235 R240 E241 | Q234-K238 WeakPolarHBondContact O-CB 3.4Å; Q234-K238 PolarHBondContact O-N 3.09Å; Q235-K238 PolarHBondContact O-N 3.25Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3Å; K238-E241 PolarHBondContact O-N 3.41Å |
| 239 | E | 94.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 114 Ų | 114 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.9 | -30.2 | 178.1 | -73.4 | -179.5 | -173.1 | 0 | 0 | 112.5 | Q235 H237 | Q235-E239 HydrophobicContact CG-CG 4.34Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.28Å; Q235-E239 PolarHBondContact NE2-OE1 2.96Å; Q235-E239 WeakPolarHBondContact O-CB 3.34Å; Q235-E239 WeakPolarHBondContact O-CG 3.44Å; Q235-E239 PolarHBondContact O-N 2.96Å; H237-E239 PolarHBondContact O-N 3.39Å |
| 240 | R | 95.2 | Very high | 95.2 | Very high | 141 Ų | 141 | 113.5 Ų | 113.5 | 53% | 0.532 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -90 | -3.1 | -179.6 | -65.6 | -75.7 | -172.2 | 134 | 12 | 114 | E227 Y236 H237 K238 Q242 | E227-R240 IonicContact OE1-NH2 3.25Å; E227-R240 IonicContact OE2-CZ 3Å; E227-R240 IonicContact OE2-NH1 3.98Å; E227-R240 IonicContact OE2-NH2 3.27Å; E227-R240 PolarHBondContact OE2-NH2 3.18Å; Y236-R240 HydrophobicContact CD2-CG 4.29Å; Y236-R240 HydrophobicContact CE2-CG 4.08Å; Y236-R240 VanDerWaalsContact O-CB 3.31Å; Y236-R240 WeakPolarHBondContact O-CB 3.23Å; Y236-R240 WeakPolarHBondContact O-CG 3.26Å; Y236-R240 PolarHBondContact O-N 2.81Å; Y236-R240 VanDerWaalsContact O-N 3.11Å; H237-R240 CarbonylContact O-C 3.36Å; H237-R240 PolarHBondContact O-N 3.28Å; K238-R240 VanDerWaalsContact C-N 3.31Å; K238-R240 PolarHBondContact O-N 3Å; R240-Q242 PolarHBondContact O-N 3.42Å |
| 241 | E | 95.4 | Very high | 95.5 | Very high | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -55.1 | -34.9 | 174.9 | -80.1 | 176.2 | -168.2 | 0 | 0 | 111.7 | H237 K238 | H237-E241 WeakPolarHBondContact O-CG 3.46Å; H237-E241 PolarHBondContact O-N 3Å; K238-E241 PolarHBondContact O-N 3.41Å |
| 242 | Q | 93.4 | Very high | 95.6 | Very high | 110 Ų | 110 | 114 Ų | 114 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -105.7 | 127.6 | 179.5 | -61 | -68.8 | -30.3 | 0 | 0 | 111 | R240 | R240-Q242 PolarHBondContact O-N 3.42Š|
| 243 | P | 95.6 | Very high | 95.7 | Very high | 83 Ų | 83 | 109.2 Ų | 109.2 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | trans | -71.1 | 165.9 | 176.7 | 30.8 | -35.2 | 0 | 0 | 0 | 111.7 | R245 | P243-R245 PolarHBondContact O-N 2.94Å; P243-R245 PolarHBondContact O-NH1 3.31Å | ||
| 244 | P | 97.7 | Very high | 95.8 | Very high | 138 Ų | 138 | 109.3 Ų | 109.3 | 90% | 0.896 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -54.4 | 123.1 | 170.8 | -24.3 | 34.4 | 0 | 0 | 0 | 110.9 | ||
| 245 | R | 95.7 | Very high | 95.9 | Very high | 125 Ų | 125 | 106.1 Ų | 106.1 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | trans | -151.8 | 162.2 | -177.7 | 73.6 | -168.1 | 173 | -71 | 7.2 | 110.9 | P243 E253 | P243-R245 PolarHBondContact O-N 2.94Å; P243-R245 PolarHBondContact O-NH1 3.31Å; R245-E253 IonicContact CZ-OE2 2.81Å; R245-E253 VanDerWaalsContact CZ-OE2 3.22Å; R245-E253 IonicContact NE-OE1 2.78Å; R245-E253 IonicContact NE-OE2 3.74Å; R245-E253 PolarHBondContact NE-OE2 3.37Å; R245-E253 VanDerWaalsContact NE-OE2 3.11Å; R245-E253 IonicContact NH2-OE2 3.97Å; R245-E253 PolarHBondContact NH2-OE2 3.24Å | ||
| 246 | F | 97 | Very high | 96 | Very high | 199 Ų | 199 | 106.7 Ų | 106.7 | 87% | 0.873 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 136.4 | 163 | -67.9 | -73.9 | 0 | 0 | 0 | 109.8 | Q248 | F246-Q248 PolarHBondContact O-N 2.89Š|
| 247 | A | 96.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 106.8 Ų | 106.8 | 25% | 0.248 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 132.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E253 Y254 A257 | A247-E253 WeakPolarHBondContact CA-OE1 3.29Å; A247-E253 HydrophobicContact CB-CG 4.04Å; A247-Y254 HydrophobicContact CB-CD2 4.02Å; A247-Y254 HydrophobicContact CB-CG 4.47Å; A247-Y254 WeakPolarHBondContact O-CD2 3.49Å; A247-A257 HydrophobicContact CB-CB 4.44Å |
| 248 | Q | 95.8 | Very high | 96.2 | Very high | 141 Ų | 141 | 105.3 Ų | 105.3 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 131.2 | -176.6 | -66.7 | -174.2 | 2.5 | 0 | 0 | 111.4 | F246 G250 S251 E253 Y254 | F246-Q248 PolarHBondContact O-N 2.89Å; Q248-G250 PolarHBondContact O-N 3.28Å; Q248-S251 VanDerWaalsContact O-CB 3.28Å; Q248-S251 WeakPolarHBondContact O-CB 3.45Å; Q248-S251 PolarHBondContact O-N 2.66Å; Q248-S251 PolarHBondContact O-OG 3.11Å; Q248-E253 PolarHBondContact N-OE1 3.46Å; Q248-Y254 WeakPolarHBondContact O-CB 3.48Å |
| 249 | P | 96.7 | Very high | 96.3 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 132.7 | 175.3 | -26.5 | 35.2 | 0 | 0 | 0 | 112.1 | Y254 | P249-Y254 HydrophobicContact CG-CE2 4.29Š|
| 250 | G | 94.6 | Very high | 96.4 | Very high | 75 Ų | 75 | 107.7 Ų | 107.7 | 77% | 0.773 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -1.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q248 | Q248-G250 PolarHBondContact O-N 3.28Š|
| 251 | S | 96.6 | Very high | 96.6 | Very high | 31 Ų | 31 | 107 Ų | 107 | 22% | 0.217 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -86.4 | 155.6 | 170.9 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | Q248 E253 Y254 E255 | Q248-S251 VanDerWaalsContact O-CB 3.28Å; Q248-S251 WeakPolarHBondContact O-CB 3.45Å; Q248-S251 PolarHBondContact O-N 2.66Å; Q248-S251 PolarHBondContact O-OG 3.11Å; S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.23Å; S251-E253 WeakPolarHBondContact OG-CG 3.39Å; S251-Y254 PolarHBondContact O-N 3.19Å; S251-Y254 VanDerWaalsContact O-N 3.16Å; S251-Y254 WeakPolarHBondContact OG-CB 3.25Å; S251-Y254 PolarHBondContact OG-N 2.77Å; S251-E255 PolarHBondContact O-N 2.94Å |
| 252 | F | 95.6 | Very high | 96.7 | Very high | 151 Ų | 151 | 103.1 Ų | 103.1 | 66% | 0.662 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.5 | -41.3 | 173.2 | 175.6 | -93.2 | 0 | 0 | 0 | 112.3 | Y254 E255 Y256 | F252-Y254 VanDerWaalsContact C-N 3.31Å; F252-Y254 PolarHBondContact O-N 3.35Å; F252-E255 PolarHBondContact O-N 3.05Å; F252-Y256 HydrophobicContact CD1-CD2 4.39Å; F252-Y256 HydrophobicContact CD2-CD2 4.2Å; F252-Y256 AromaticContact CD2-CE2 3.92Å; F252-Y256 HydrophobicContact CD2-CE2 3.92Å; F252-Y256 AromaticContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CE2 4.1Å; F252-Y256 AromaticContact CE2-CD2 3.82Å; F252-Y256 HydrophobicContact CE2-CD2 3.82Å; F252-Y256 AromaticContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CG-CD2 4.48Å; F252-Y256 AromaticContact CZ-CD2 3.7Å; F252-Y256 HydrophobicContact CZ-CD2 3.7Å; F252-Y256 AromaticContact CZ-CE2 3.32Å; F252-Y256 HydrophobicContact CZ-CE2 3.32Å; F252-Y256 AromaticContact CZ-CZ 3.91Å; F252-Y256 WeakPolarHBondContact O-CD2 3.38Å; F252-Y256 PolarHBondContact O-N 2.96Å |
| 253 | E | 95.7 | Very high | 96.9 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 29% | 0.285 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 178 | 58 | 175.2 | -156.2 | 0 | 0 | 112.4 | R245 A247 Q248 S251 Y256 A257 | R245-E253 IonicContact CZ-OE2 2.81Å; R245-E253 VanDerWaalsContact CZ-OE2 3.22Å; R245-E253 IonicContact NE-OE1 2.78Å; R245-E253 IonicContact NE-OE2 3.74Å; R245-E253 PolarHBondContact NE-OE2 3.37Å; R245-E253 VanDerWaalsContact NE-OE2 3.11Å; R245-E253 IonicContact NH2-OE2 3.97Å; R245-E253 PolarHBondContact NH2-OE2 3.24Å; A247-E253 WeakPolarHBondContact CA-OE1 3.29Å; A247-E253 HydrophobicContact CB-CG 4.04Å; Q248-E253 PolarHBondContact N-OE1 3.46Å; S251-E253 VanDerWaalsContact C-N 3.28Å; S251-E253 PolarHBondContact O-N 3.23Å; S251-E253 WeakPolarHBondContact OG-CG 3.39Å; E253-Y256 PolarHBondContact O-N 3.31Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.45Å |
| 254 | Y | 97.6 | Very high | 97 | Very high | 82 Ų | 82 | 103.2 Ų | 103.2 | 32% | 0.322 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | -178.7 | 179 | -90.9 | 0 | 0 | 0 | 111.5 | A247 Q248 P249 S251 F252 Y256 A257 M258 | A247-Y254 HydrophobicContact CB-CD2 4.02Å; A247-Y254 HydrophobicContact CB-CG 4.47Å; A247-Y254 WeakPolarHBondContact O-CD2 3.49Å; Q248-Y254 WeakPolarHBondContact O-CB 3.48Å; P249-Y254 HydrophobicContact CG-CE2 4.29Å; S251-Y254 PolarHBondContact O-N 3.19Å; S251-Y254 VanDerWaalsContact O-N 3.16Å; S251-Y254 WeakPolarHBondContact OG-CB 3.25Å; S251-Y254 PolarHBondContact OG-N 2.77Å; F252-Y254 VanDerWaalsContact C-N 3.31Å; F252-Y254 PolarHBondContact O-N 3.35Å; Y254-Y256 VanDerWaalsContact C-N 3.33Å; Y254-Y256 PolarHBondContact O-N 3.48Å; Y254-A257 PolarHBondContact O-N 2.93Å; Y254-M258 HydrophobicContact CD1-CG 4.02Å; Y254-M258 HydrophobicContact CD2-CG 4.45Å; Y254-M258 HydrophobicContact CE1-CG 3.61Å; Y254-M258 HydrophobicContact CE2-CG 4.09Å; Y254-M258 HydrophobicContact CE2-SD 4.22Å; Y254-M258 HydrophobicContact CG-CG 4.42Å; Y254-M258 WeakPolarHBondContact O-CB 3.13Å; Y254-M258 VanDerWaalsContact O-CG 3.28Å; Y254-M258 WeakPolarHBondContact O-CG 3.44Å; Y254-M258 PolarHBondContact O-N 3.32Å |
| 255 | E | 97.6 | Very high | 97 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 178 | -67.6 | -173.4 | 176.1 | 0 | 0 | 111.9 | S251 F252 M258 R259 | S251-E255 PolarHBondContact O-N 2.94Å; F252-E255 PolarHBondContact O-N 3.05Å; E255-M258 PolarHBondContact O-N 2.92Å; E255-R259 WeakPolarHBondContact O-CG 3.28Å; E255-R259 PolarHBondContact O-N 2.95Å; E255-R259 VanDerWaalsContact O-N 3.16Å |
| 256 | Y | 97.3 | Very high | 97.1 | Very high | 106 Ų | 106 | 100.4 Ų | 100.4 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.2 | -39.2 | 177.9 | -82.1 | -95.8 | 0 | 0 | 0 | 112.6 | F252 E253 Y254 M258 R259 W260 | F252-Y256 HydrophobicContact CD1-CD2 4.39Å; F252-Y256 HydrophobicContact CD2-CD2 4.2Å; F252-Y256 AromaticContact CD2-CE2 3.92Å; F252-Y256 HydrophobicContact CD2-CE2 3.92Å; F252-Y256 AromaticContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CD2 3.99Å; F252-Y256 HydrophobicContact CE1-CE2 4.1Å; F252-Y256 AromaticContact CE2-CD2 3.82Å; F252-Y256 HydrophobicContact CE2-CD2 3.82Å; F252-Y256 AromaticContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CE2-CE2 3.22Å; F252-Y256 HydrophobicContact CG-CD2 4.48Å; F252-Y256 AromaticContact CZ-CD2 3.7Å; F252-Y256 HydrophobicContact CZ-CD2 3.7Å; F252-Y256 AromaticContact CZ-CE2 3.32Å; F252-Y256 HydrophobicContact CZ-CE2 3.32Å; F252-Y256 AromaticContact CZ-CZ 3.91Å; F252-Y256 WeakPolarHBondContact O-CD2 3.38Å; F252-Y256 PolarHBondContact O-N 2.96Å; E253-Y256 PolarHBondContact O-N 3.31Å; Y254-Y256 VanDerWaalsContact C-N 3.33Å; Y254-Y256 PolarHBondContact O-N 3.48Å; Y256-M258 VanDerWaalsContact C-N 3.27Å; Y256-M258 PolarHBondContact O-N 3.4Å; Y256-R259 PolarHBondContact O-N 3.23Å; Y256-W260 VanDerWaalsContact O-CD1 3.31Å; Y256-W260 PolarHBondContact O-N 3.4Å |
| 257 | A | 97.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 95.9 Ų | 95.9 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A247 E253 Y254 W260 K261 | A247-A257 HydrophobicContact CB-CB 4.44Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 3.45Å; Y254-A257 PolarHBondContact O-N 2.93Å; A257-W260 WeakPolarHBondContact O-CB 3.43Å; A257-W260 PolarHBondContact O-N 3.35Å; A257-K261 WeakPolarHBondContact O-CG 3.47Å; A257-K261 PolarHBondContact O-N 3.03Å |
| 258 | M | 97.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 99.5 Ų | 99.5 | 39% | 0.389 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 175.9 | -71.5 | -56.1 | -62.6 | 0 | 0 | 112.8 | Y254 E255 Y256 K261 A262 | Y254-M258 HydrophobicContact CD1-CG 4.02Å; Y254-M258 HydrophobicContact CD2-CG 4.45Å; Y254-M258 HydrophobicContact CE1-CG 3.61Å; Y254-M258 HydrophobicContact CE2-CG 4.09Å; Y254-M258 HydrophobicContact CE2-SD 4.22Å; Y254-M258 HydrophobicContact CG-CG 4.42Å; Y254-M258 WeakPolarHBondContact O-CB 3.13Å; Y254-M258 VanDerWaalsContact O-CG 3.28Å; Y254-M258 WeakPolarHBondContact O-CG 3.44Å; Y254-M258 PolarHBondContact O-N 3.32Å; E255-M258 PolarHBondContact O-N 2.92Å; Y256-M258 VanDerWaalsContact C-N 3.27Å; Y256-M258 PolarHBondContact O-N 3.4Å; M258-K261 PolarHBondContact O-N 2.62Å; M258-K261 HydrophobicContact SD-CD 4.14Å; M258-A262 PolarHBondContact O-N 3.23Å |
| 259 | R | 98 | Very high | 97.1 | Very high | 151 Ų | 151 | 97.7 Ų | 97.7 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 171.3 | -70.5 | 178 | -173.7 | 171.2 | 5 | 111.9 | E255 Y256 A262 L263 | E255-R259 WeakPolarHBondContact O-CG 3.28Å; E255-R259 PolarHBondContact O-N 2.95Å; E255-R259 VanDerWaalsContact O-N 3.16Å; Y256-R259 PolarHBondContact O-N 3.23Å; R259-A262 PolarHBondContact O-N 2.89Å; R259-L263 PolarHBondContact O-N 3.27Å |
| 260 | W | 97.8 | Very high | 97.1 | Very high | 165 Ų | 165 | 97.3 Ų | 97.3 | 63% | 0.625 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 173 | -88 | 105.6 | 0 | 0 | 0 | 112 | Y256 A257 A262 L263 M264 | Y256-W260 VanDerWaalsContact O-CD1 3.31Å; Y256-W260 PolarHBondContact O-N 3.4Å; A257-W260 WeakPolarHBondContact O-CB 3.43Å; A257-W260 PolarHBondContact O-N 3.35Å; W260-A262 VanDerWaalsContact C-N 3.35Å; W260-A262 PolarHBondContact O-N 2.88Å; W260-L263 HydrophobicContact CE3-CD2 4.2Å; W260-L263 HydrophobicContact CZ3-CD2 4.13Å; W260-L263 WeakPolarHBondContact O-CB 3.12Å; W260-L263 PolarHBondContact O-N 2.81Å; W260-M264 WeakPolarHBondContact O-CG 3.45Å; W260-M264 PolarHBondContact O-N 3.01Å |
| 261 | K | 97.9 | Very high | 97.2 | Very high | 126 Ų | 126 | 101.4 Ų | 101.4 | 55% | 0.548 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 174.3 | -73.4 | -174.3 | 71.6 | 176.6 | 0 | 112.5 | A257 M258 L263 M264 E265 | A257-K261 WeakPolarHBondContact O-CG 3.47Å; A257-K261 PolarHBondContact O-N 3.03Å; M258-K261 PolarHBondContact O-N 2.62Å; M258-K261 HydrophobicContact SD-CD 4.14Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-L263 PolarHBondContact O-N 2.78Å; K261-M264 HydrophobicContact CB-CE 4.48Å; K261-M264 HydrophobicContact CG-CE 4.04Å; K261-M264 PolarHBondContact O-N 3.44Å; K261-E265 WeakPolarHBondContact O-CB 3.39Å; K261-E265 PolarHBondContact O-N 2.94Å |
| 262 | A | 97.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 104.4 Ų | 104.4 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M258 R259 W260 M266 | M258-A262 PolarHBondContact O-N 3.23Å; R259-A262 PolarHBondContact O-N 2.89Å; W260-A262 VanDerWaalsContact C-N 3.35Å; W260-A262 PolarHBondContact O-N 2.88Å; A262-M266 WeakPolarHBondContact O-CB 3.36Å; A262-M266 PolarHBondContact O-N 3.34Å |
| 263 | L | 98.1 | Very high | 97.1 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 175.5 | -176.7 | 64.9 | 0 | 0 | 0 | 112 | R259 W260 K261 E265 M266 E267 | R259-L263 PolarHBondContact O-N 3.27Å; W260-L263 HydrophobicContact CE3-CD2 4.2Å; W260-L263 HydrophobicContact CZ3-CD2 4.13Å; W260-L263 WeakPolarHBondContact O-CB 3.12Å; W260-L263 PolarHBondContact O-N 2.81Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-L263 PolarHBondContact O-N 2.78Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.32Å; L263-M266 WeakPolarHBondContact O-CB 3.34Å; L263-M266 PolarHBondContact O-N 3.33Å; L263-E267 PolarHBondContact O-N 3.43Å |
| 264 | M | 97.4 | Very high | 97.2 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 49% | 0.493 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 177 | -69 | -176.5 | -67.8 | 0 | 0 | 112.2 | W260 K261 E267 K268 | W260-M264 WeakPolarHBondContact O-CG 3.45Å; W260-M264 PolarHBondContact O-N 3.01Å; K261-M264 HydrophobicContact CB-CE 4.48Å; K261-M264 HydrophobicContact CG-CE 4.04Å; K261-M264 PolarHBondContact O-N 3.44Å; M264-E267 PolarHBondContact O-N 3.01Å; M264-K268 WeakPolarHBondContact O-CB 3.41Å; M264-K268 PolarHBondContact O-N 2.85Å |
| 265 | E | 97.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 103.3 Ų | 103.3 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 174.9 | -172.2 | 62.7 | -149.6 | 0 | 0 | 111.4 | K261 L263 K268 Q269 | K261-E265 WeakPolarHBondContact O-CB 3.39Å; K261-E265 PolarHBondContact O-N 2.94Å; L263-E265 VanDerWaalsContact C-N 3.31Å; L263-E265 PolarHBondContact O-N 3.32Å; E265-K268 PolarHBondContact O-N 3.46Å; E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.4Å; E265-Q269 PolarHBondContact O-N 3.36Å |
| 266 | M | 97.4 | Very high | 96.8 | Very high | 112 Ų | 112 | 105.3 Ų | 105.3 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 174.2 | -175.4 | -171.6 | -62.3 | 0 | 0 | 111.5 | A262 L263 Q269 Q270 | A262-M266 WeakPolarHBondContact O-CB 3.36Å; A262-M266 PolarHBondContact O-N 3.34Å; L263-M266 WeakPolarHBondContact O-CB 3.34Å; L263-M266 PolarHBondContact O-N 3.33Å; M266-Q269 PolarHBondContact O-N 2.96Å; M266-Q270 WeakPolarHBondContact O-CG 3.42Å; M266-Q270 PolarHBondContact O-N 3.23Å |
| 267 | E | 96.8 | Very high | 96.7 | Very high | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.3 | -49.4 | 175.3 | 177.2 | 177.2 | -152.4 | 0 | 0 | 111 | L263 M264 Q269 Q270 Y271 | L263-E267 PolarHBondContact O-N 3.43Å; M264-E267 PolarHBondContact O-N 3.01Å; E267-Q269 PolarHBondContact O-N 3.43Å; E267-Q270 PolarHBondContact O-N 3.37Å; E267-Y271 HydrophobicContact CG-CD2 3.77Å; E267-Y271 HydrophobicContact CG-CE2 3.57Å; E267-Y271 VanDerWaalsContact O-CD2 3.28Å; E267-Y271 WeakPolarHBondContact O-CD2 3.5Å; E267-Y271 PolarHBondContact O-N 3.1Å |
| 268 | K | 97 | Very high | 96.5 | Very high | 105 Ų | 105 | 107 Ų | 107 | 46% | 0.457 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57 | -46.4 | 176.5 | -177.7 | -175.7 | 170.3 | -165.7 | 0 | 112.2 | M264 E265 Q270 Y271 E272 | M264-K268 WeakPolarHBondContact O-CB 3.41Å; M264-K268 PolarHBondContact O-N 2.85Å; E265-K268 PolarHBondContact O-N 3.46Å; K268-Q270 VanDerWaalsContact C-N 3.32Å; K268-Q270 PolarHBondContact O-N 3.15Å; K268-Y271 PolarHBondContact O-N 3.43Å; K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.97Å; K268-E272 WeakPolarHBondContact O-CG 3.46Å; K268-E272 PolarHBondContact O-N 2.99Å |
| 269 | Q | 96.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 108.9 Ų | 108.9 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 177.8 | -73.5 | 173.3 | 9.2 | 0 | 0 | 112.4 | E265 M266 E267 M273 | E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.4Å; E265-Q269 PolarHBondContact O-N 3.36Å; M266-Q269 PolarHBondContact O-N 2.96Å; E267-Q269 PolarHBondContact O-N 3.43Å; Q269-M273 VanDerWaalsContact O-CB 3.26Å; Q269-M273 WeakPolarHBondContact O-CB 3.32Å; Q269-M273 PolarHBondContact O-N 3.19Å |
| 270 | Q | 96.8 | Very high | 96 | Very high | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 175.7 | -69.4 | -59.2 | -58 | 0 | 0 | 111.6 | M266 E267 K268 M273 V274 | M266-Q270 WeakPolarHBondContact O-CG 3.42Å; M266-Q270 PolarHBondContact O-N 3.23Å; E267-Q270 PolarHBondContact O-N 3.37Å; K268-Q270 VanDerWaalsContact C-N 3.32Å; K268-Q270 PolarHBondContact O-N 3.15Å; Q270-M273 PolarHBondContact O-N 3.14Å; Q270-V274 VanDerWaalsContact O-CG2 3.32Å; Q270-V274 WeakPolarHBondContact O-CG2 3.48Å; Q270-V274 PolarHBondContact O-N 2.84Å |
| 271 | Y | 95.1 | Very high | 95.9 | Very high | 161 Ų | 161 | 101.8 Ų | 101.8 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.7 | -47.4 | 175.8 | -84.3 | -71.4 | 0 | 0 | 0 | 112.2 | E267 K268 M273 V274 D275 | E267-Y271 HydrophobicContact CG-CD2 3.77Å; E267-Y271 HydrophobicContact CG-CE2 3.57Å; E267-Y271 VanDerWaalsContact O-CD2 3.28Å; E267-Y271 WeakPolarHBondContact O-CD2 3.5Å; E267-Y271 PolarHBondContact O-N 3.1Å; K268-Y271 PolarHBondContact O-N 3.43Å; Y271-M273 VanDerWaalsContact C-N 3.34Å; Y271-M273 PolarHBondContact O-N 3.44Å; Y271-V274 PolarHBondContact O-N 2.82Å; Y271-D275 WeakPolarHBondContact O-CB 3.49Å; Y271-D275 PolarHBondContact O-N 3.26Å |
| 272 | E | 95.5 | Very high | 95.4 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 178.9 | -72.2 | 178.9 | -179.4 | 0 | 0 | 112.5 | K268 R276 | K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.97Å; K268-E272 WeakPolarHBondContact O-CG 3.46Å; K268-E272 PolarHBondContact O-N 2.99Å; E272-R276 WeakPolarHBondContact O-CB 3.12Å; E272-R276 PolarHBondContact O-N 2.99Å |
| 273 | M | 96 | Very high | 95 | Very high | 81 Ų | 81 | 102.7 Ų | 102.7 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 175.5 | -176.9 | -179.7 | 69.7 | 0 | 0 | 111.2 | Q269 Q270 Y271 N277 | Q269-M273 VanDerWaalsContact O-CB 3.26Å; Q269-M273 WeakPolarHBondContact O-CB 3.32Å; Q269-M273 PolarHBondContact O-N 3.19Å; Q270-M273 PolarHBondContact O-N 3.14Å; Y271-M273 VanDerWaalsContact C-N 3.34Å; Y271-M273 PolarHBondContact O-N 3.44Å; M273-N277 WeakPolarHBondContact O-CB 3.26Å; M273-N277 PolarHBondContact O-N 3.39Å; M273-N277 PolarHBondContact O-ND2 3.33Å; M273-N277 PolarHBondContact O-OD1 3.14Å |
| 274 | V | 96.4 | Very high | 94.8 | Very high | 76 Ų | 76 | 105.6 Ų | 105.6 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | Q270 Y271 R276 N277 M278 | Q270-V274 VanDerWaalsContact O-CG2 3.32Å; Q270-V274 WeakPolarHBondContact O-CG2 3.48Å; Q270-V274 PolarHBondContact O-N 2.84Å; Y271-V274 PolarHBondContact O-N 2.82Å; V274-R276 PolarHBondContact O-N 3.01Å; V274-N277 PolarHBondContact O-N 2.95Å; V274-M278 HydrophobicContact CG1-CG 4.12Å; V274-M278 WeakPolarHBondContact O-CB 3.42Å; V274-M278 VanDerWaalsContact O-CG 3.24Å; V274-M278 WeakPolarHBondContact O-CG 3.46Å; V274-M278 PolarHBondContact O-N 3.4Å |
| 275 | D | 92.6 | Very high | 94.5 | Very high | 114 Ų | 114 | 106.1 Ų | 106.1 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.7 | -46.2 | 179.1 | -172.4 | 64.5 | 0 | 0 | 0 | 111.7 | Y271 M278 K279 | Y271-D275 WeakPolarHBondContact O-CB 3.49Å; Y271-D275 PolarHBondContact O-N 3.26Å; D275-M278 PolarHBondContact O-N 3.05Å; D275-K279 WeakPolarHBondContact O-CB 3.44Å; D275-K279 PolarHBondContact O-N 3.19Å |
| 276 | R | 94.8 | Very high | 94 | Very high | 145 Ų | 145 | 105.5 Ų | 105.5 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 175.7 | -168.5 | -174.1 | -52.5 | 152.5 | 8.2 | 112 | E272 V274 M278 K279 E280 | E272-R276 WeakPolarHBondContact O-CB 3.12Å; E272-R276 PolarHBondContact O-N 2.99Å; V274-R276 PolarHBondContact O-N 3.01Å; R276-M278 VanDerWaalsContact C-N 3.31Å; R276-M278 PolarHBondContact O-N 2.92Å; R276-K279 PolarHBondContact O-N 2.92Å; R276-E280 WeakPolarHBondContact O-CG 3.21Å; R276-E280 PolarHBondContact O-N 3.15Å |
| 277 | N | 95.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 103 Ų | 103 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 179.5 | -68.8 | -12.3 | 0 | 0 | 0 | 111.7 | M273 V274 A281 | M273-N277 WeakPolarHBondContact O-CB 3.26Å; M273-N277 PolarHBondContact O-N 3.39Å; M273-N277 PolarHBondContact O-ND2 3.33Å; M273-N277 PolarHBondContact O-OD1 3.14Å; V274-N277 PolarHBondContact O-N 2.95Å; N277-A281 WeakPolarHBondContact O-CB 3.31Å; N277-A281 PolarHBondContact O-N 2.97Å; N277-A281 VanDerWaalsContact O-N 3.1Å |
| 278 | M | 93.3 | Very high | 93.5 | Very high | 103 Ų | 103 | 104.1 Ų | 104.1 | 51% | 0.507 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.9 | -69.8 | -58.1 | 100.3 | 0 | 0 | 111.6 | V274 D275 R276 A281 Q282 | V274-M278 HydrophobicContact CG1-CG 4.12Å; V274-M278 WeakPolarHBondContact O-CB 3.42Å; V274-M278 VanDerWaalsContact O-CG 3.24Å; V274-M278 WeakPolarHBondContact O-CG 3.46Å; V274-M278 PolarHBondContact O-N 3.4Å; D275-M278 PolarHBondContact O-N 3.05Å; R276-M278 VanDerWaalsContact C-N 3.31Å; R276-M278 PolarHBondContact O-N 2.92Å; M278-A281 PolarHBondContact O-N 3.37Å; M278-Q282 VanDerWaalsContact O-CG 3.31Å; M278-Q282 WeakPolarHBondContact O-CG 3.32Å; M278-Q282 PolarHBondContact O-N 3.41Å |
| 279 | K | 90.9 | Very high | 93 | Very high | 119 Ų | 119 | 102 Ų | 102 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 177.3 | -172.2 | 178.7 | 176.7 | -173.1 | 0 | 112.1 | D275 R276 A281 Q282 E283 | D275-K279 WeakPolarHBondContact O-CB 3.44Å; D275-K279 PolarHBondContact O-N 3.19Å; R276-K279 PolarHBondContact O-N 2.92Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.1Å; K279-Q282 WeakPolarHBondContact O-CB 3.38Å; K279-Q282 PolarHBondContact O-N 2.92Å; K279-Q282 VanDerWaalsContact O-N 3.15Å; K279-E283 WeakPolarHBondContact CE-OE1 3.45Å; K279-E283 IonicContact NZ-OE1 3.89Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 2.99Å |
| 280 | E | 94.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176 | -73.5 | 176.9 | -169 | 0 | 0 | 111.7 | R276 K284 | R276-E280 WeakPolarHBondContact O-CG 3.21Å; R276-E280 PolarHBondContact O-N 3.15Å; E280-K284 VanDerWaalsContact O-CB 3.32Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 PolarHBondContact O-N 3.49Å |
| 281 | A | 94.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N277 M278 K279 L285 | N277-A281 WeakPolarHBondContact O-CB 3.31Å; N277-A281 PolarHBondContact O-N 2.97Å; N277-A281 VanDerWaalsContact O-N 3.1Å; M278-A281 PolarHBondContact O-N 3.37Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.1Å; A281-L285 PolarHBondContact O-N 3.01Å; A281-L285 VanDerWaalsContact O-N 3.08Å |
| 282 | Q | 88.3 | Confident | 91.9 | Very high | 102 Ų | 102 | 94.6 Ų | 94.6 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 175.7 | -75.3 | 176.4 | 5 | 0 | 0 | 111.8 | M278 K279 K284 L285 E286 | M278-Q282 VanDerWaalsContact O-CG 3.31Å; M278-Q282 WeakPolarHBondContact O-CG 3.32Å; M278-Q282 PolarHBondContact O-N 3.41Å; K279-Q282 WeakPolarHBondContact O-CB 3.38Å; K279-Q282 PolarHBondContact O-N 2.92Å; K279-Q282 VanDerWaalsContact O-N 3.15Å; Q282-K284 VanDerWaalsContact C-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.74Å; Q282-L285 PolarHBondContact O-N 2.86Å; Q282-E286 WeakPolarHBondContact O-CB 3.43Å; Q282-E286 PolarHBondContact O-N 3.4Å |
| 283 | E | 89.8 | Confident | 91.4 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.4 | -72.4 | 176.8 | -179.5 | 0 | 0 | 111.5 | K279 E286 A287 | K279-E283 WeakPolarHBondContact CE-OE1 3.45Å; K279-E283 IonicContact NZ-OE1 3.89Å; K279-E283 WeakPolarHBondContact O-CG 3.43Å; K279-E283 PolarHBondContact O-N 2.99Å; E283-E286 PolarHBondContact O-N 3.04Å; E283-A287 WeakPolarHBondContact O-CB 3.24Å; E283-A287 PolarHBondContact O-N 3.11Å |
| 284 | K | 94.5 | Very high | 91.1 | Very high | 155 Ų | 155 | 97.3 Ų | 97.3 | 67% | 0.674 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 175.7 | -173.7 | 179.5 | 178.5 | -175.9 | 0 | 112.3 | E280 Q282 A287 E288 | E280-K284 VanDerWaalsContact O-CB 3.32Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 PolarHBondContact O-N 3.49Å; Q282-K284 VanDerWaalsContact C-N 3.29Å; Q282-K284 PolarHBondContact O-N 2.74Å; K284-A287 PolarHBondContact O-N 3.5Å; K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 PolarHBondContact O-N 3.4Å |
| 285 | L | 91.3 | Very high | 90.9 | Very high | 112 Ų | 112 | 100.5 Ų | 100.5 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 177.8 | -179.9 | 63.7 | 0 | 0 | 0 | 111.5 | A281 Q282 E288 M289 | A281-L285 PolarHBondContact O-N 3.01Å; A281-L285 VanDerWaalsContact O-N 3.08Å; Q282-L285 PolarHBondContact O-N 2.86Å; L285-E288 PolarHBondContact O-N 3.27Å; L285-M289 VanDerWaalsContact O-CB 3.31Å; L285-M289 WeakPolarHBondContact O-CB 3.32Å; L285-M289 PolarHBondContact O-N 3.01Å |
| 286 | E | 87.3 | Confident | 90.7 | Very high | 79 Ų | 79 | 100 Ų | 100 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.7 | 174.7 | 156.4 | -152 | 0 | 0 | 111.5 | F207 Q282 E283 M289 E290 | F207-E286 HydrophobicContact CE2-CG 4.26Å; F207-E286 HydrophobicContact CZ-CB 4.44Å; F207-E286 HydrophobicContact CZ-CG 3.71Å; F207-E286 WeakPolarHBondContact CZ-OE1 3.01Å; Q282-E286 WeakPolarHBondContact O-CB 3.43Å; Q282-E286 PolarHBondContact O-N 3.4Å; E283-E286 PolarHBondContact O-N 3.04Å; E286-M289 PolarHBondContact O-N 3.26Å; E286-E290 WeakPolarHBondContact O-CB 3.39Å; E286-E290 PolarHBondContact O-N 3.48Å |
| 287 | A | 90.1 | Very high | 90.4 | Very high | 58 Ų | 58 | 97.9 Ų | 97.9 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E283 K284 E290 A291 | E283-A287 WeakPolarHBondContact O-CB 3.24Å; E283-A287 PolarHBondContact O-N 3.11Å; K284-A287 PolarHBondContact O-N 3.5Å; A287-E290 PolarHBondContact O-N 2.92Å; A287-A291 WeakPolarHBondContact O-CB 3.38Å; A287-A291 PolarHBondContact O-N 3.41Å |
| 288 | E | 92.1 | Very high | 90.3 | Very high | 130 Ų | 130 | 98.8 Ų | 98.8 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 176.5 | -177.2 | 178.8 | 165.4 | 0 | 0 | 111.3 | K284 L285 A291 A292 | K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 PolarHBondContact O-N 3.4Å; L285-E288 PolarHBondContact O-N 3.27Å; E288-A291 PolarHBondContact O-N 3Å; E288-A292 WeakPolarHBondContact O-CB 3.31Å; E288-A292 PolarHBondContact O-N 3.44Å |
| 289 | M | 86.7 | Confident | 90.4 | Very high | 61 Ų | 61 | 99 Ų | 99 | 30% | 0.3 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | -179.9 | -170.3 | -173.6 | 75.5 | 0 | 0 | 112.3 | F207 P208 L285 E286 A292 R293 | F207-M289 HydrophobicContact CD2-CE 3.77Å; F207-M289 HydrophobicContact CE1-CE 4.29Å; F207-M289 HydrophobicContact CE2-CE 3.14Å; F207-M289 HydrophobicContact CZ-CE 3.44Å; F207-M289 VanDerWaalsContact CZ-CE 3.44Å; P208-M289 HydrophobicContact CG-CE 3.5Å; P208-M289 HydrophobicContact CG-SD 3.32Å; P208-M289 WeakPolarHBondContact CG-SD 3.47Å; L285-M289 VanDerWaalsContact O-CB 3.31Å; L285-M289 WeakPolarHBondContact O-CB 3.32Å; L285-M289 PolarHBondContact O-N 3.01Å; E286-M289 PolarHBondContact O-N 3.26Å; M289-A292 PolarHBondContact O-N 2.97Å; M289-R293 WeakPolarHBondContact O-CB 3.49Å; M289-R293 PolarHBondContact O-N 3.41Å |
| 290 | E | 86.4 | Confident | 90.5 | Very high | 106 Ų | 106 | 97 Ų | 97 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 175.3 | -173.9 | 168.4 | -156.2 | 0 | 0 | 110.9 | E286 A287 A292 R293 H294 | E286-E290 WeakPolarHBondContact O-CB 3.39Å; E286-E290 PolarHBondContact O-N 3.48Å; A287-E290 PolarHBondContact O-N 2.92Å; E290-A292 PolarHBondContact O-N 2.89Å; E290-R293 PolarHBondContact O-N 3.35Å; E290-H294 VanDerWaalsContact CG-CE1 3.41Å; E290-H294 WeakPolarHBondContact CG-CE1 3.42Å; E290-H294 PolarHBondContact O-N 2.97Å; E290-H294 PolarHBondContact O-ND1 3.46Å; E290-H294 IonicContact OE1-CE1 3.77Å |
| 291 | A | 90.1 | Very high | 90.4 | Very high | 49 Ų | 49 | 97.6 Ų | 97.6 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A287 E288 R293 H294 E295 | A287-A291 WeakPolarHBondContact O-CB 3.38Å; A287-A291 PolarHBondContact O-N 3.41Å; E288-A291 PolarHBondContact O-N 3Å; A291-R293 VanDerWaalsContact C-N 3.3Å; A291-R293 PolarHBondContact O-N 3.08Å; A291-H294 PolarHBondContact O-N 3.34Å; A291-E295 WeakPolarHBondContact O-CG 3.43Å; A291-E295 PolarHBondContact O-N 2.96Å |
| 292 | A | 89.4 | Confident | 90.5 | Very high | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E288 M289 E290 H296 | E288-A292 WeakPolarHBondContact O-CB 3.31Å; E288-A292 PolarHBondContact O-N 3.44Å; M289-A292 PolarHBondContact O-N 2.97Å; E290-A292 PolarHBondContact O-N 2.89Å; A292-H296 WeakPolarHBondContact O-CB 3.35Å; A292-H296 PolarHBondContact O-N 3.24Å |
| 293 | R | 85.4 | Confident | 90.7 | Very high | 140 Ų | 140 | 104.8 Ų | 104.8 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.3 | -175.1 | -177.3 | -179.6 | 124.3 | -1.3 | 111.5 | A206 M289 E290 A291 H296 Q297 | A206-R293 PolarHBondContact O-NH1 2.91Å; M289-R293 WeakPolarHBondContact O-CB 3.49Å; M289-R293 PolarHBondContact O-N 3.41Å; E290-R293 PolarHBondContact O-N 3.35Å; A291-R293 VanDerWaalsContact C-N 3.3Å; A291-R293 PolarHBondContact O-N 3.08Å; R293-H296 PolarHBondContact O-N 3.45Å; R293-Q297 WeakPolarHBondContact O-CB 3.29Å; R293-Q297 PolarHBondContact O-N 3.39Å |
| 294 | H | 88.7 | Confident | 91 | Very high | 93 Ų | 93 | 103.7 Ų | 103.7 | 43% | 0.431 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.4 | -74.6 | 91.8 | 0 | 0 | 0 | 111.2 | E290 A291 H296 Q297 V298 | E290-H294 VanDerWaalsContact CG-CE1 3.41Å; E290-H294 WeakPolarHBondContact CG-CE1 3.42Å; E290-H294 PolarHBondContact O-N 2.97Å; E290-H294 PolarHBondContact O-ND1 3.46Å; E290-H294 IonicContact OE1-CE1 3.77Å; A291-H294 PolarHBondContact O-N 3.34Å; H294-H296 PolarHBondContact O-N 3.38Å; H294-Q297 PolarHBondContact O-N 2.93Å; H294-V298 VanDerWaalsContact O-CG2 3.29Å; H294-V298 WeakPolarHBondContact O-CG2 3.42Å; H294-V298 PolarHBondContact O-N 3.34Å |
| 295 | E | 91.9 | Very high | 91 | Very high | 143 Ų | 143 | 101 Ų | 101 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -45.4 | 175.4 | -74.1 | -177.4 | 177.8 | 0 | 0 | 112 | A291 Q297 V298 M299 | A291-E295 WeakPolarHBondContact O-CG 3.43Å; A291-E295 PolarHBondContact O-N 2.96Å; E295-Q297 VanDerWaalsContact C-N 3.35Å; E295-Q297 PolarHBondContact O-N 2.9Å; E295-V298 PolarHBondContact O-N 2.95Å; E295-M299 WeakPolarHBondContact O-CB 3.45Å; E295-M299 PolarHBondContact O-N 3.35Å |
| 296 | H | 89.5 | Confident | 91.1 | Very high | 103 Ų | 103 | 100 Ų | 100 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177 | -174.1 | 64.9 | 0 | 0 | 0 | 112 | A292 R293 H294 M299 L300 | A292-H296 WeakPolarHBondContact O-CB 3.35Å; A292-H296 PolarHBondContact O-N 3.24Å; R293-H296 PolarHBondContact O-N 3.45Å; H294-H296 PolarHBondContact O-N 3.38Å; H296-M299 WeakPolarHBondContact O-CB 3.38Å; H296-M299 PolarHBondContact O-N 2.97Å; H296-L300 WeakPolarHBondContact O-CG 3.37Å; H296-L300 PolarHBondContact O-N 3.38Å |
| 297 | Q | 88.9 | Confident | 91.5 | Very high | 101 Ų | 101 | 103.9 Ų | 103.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 177.9 | -169.3 | 168.8 | 30.3 | 0 | 0 | 111.9 | R293 H294 E295 M299 L300 M301 | R293-Q297 WeakPolarHBondContact O-CB 3.29Å; R293-Q297 PolarHBondContact O-N 3.39Å; H294-Q297 PolarHBondContact O-N 2.93Å; E295-Q297 VanDerWaalsContact C-N 3.35Å; E295-Q297 PolarHBondContact O-N 2.9Å; Q297-M299 VanDerWaalsContact C-N 3.34Å; Q297-L300 PolarHBondContact O-N 3.18Å; Q297-M301 WeakPolarHBondContact O-CG 3.42Å; Q297-M301 PolarHBondContact O-N 3.39Å |
| 298 | V | 93.9 | Very high | 91.6 | Very high | 96 Ų | 96 | 109 Ų | 109 | 58% | 0.582 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | H294 E295 M301 R302 | H294-V298 VanDerWaalsContact O-CG2 3.29Å; H294-V298 WeakPolarHBondContact O-CG2 3.42Å; H294-V298 PolarHBondContact O-N 3.34Å; E295-V298 PolarHBondContact O-N 2.95Å; V298-M301 PolarHBondContact O-N 3.49Å; V298-R302 WeakPolarHBondContact O-CB 3.33Å; V298-R302 PolarHBondContact O-N 3.02Å |
| 299 | M | 93.9 | Very high | 91.6 | Very high | 109 Ų | 109 | 108 Ų | 108 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.8 | -174 | -171.6 | 74.9 | 0 | 0 | 111.7 | E295 H296 Q297 R302 Q303 | E295-M299 WeakPolarHBondContact O-CB 3.45Å; E295-M299 PolarHBondContact O-N 3.35Å; H296-M299 WeakPolarHBondContact O-CB 3.38Å; H296-M299 PolarHBondContact O-N 2.97Å; Q297-M299 VanDerWaalsContact C-N 3.34Å; M299-R302 PolarHBondContact O-N 3.23Å; M299-Q303 PolarHBondContact O-N 2.96Å |
| 300 | L | 93.6 | Very high | 92 | Very high | 77 Ų | 77 | 110 Ų | 110 | 40% | 0.403 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 176.3 | -70.5 | 174.4 | 0 | 0 | 0 | 111.5 | H296 Q297 R302 Q303 D304 | H296-L300 WeakPolarHBondContact O-CG 3.37Å; H296-L300 PolarHBondContact O-N 3.38Å; Q297-L300 PolarHBondContact O-N 3.18Å; L300-R302 VanDerWaalsContact C-N 3.31Å; L300-R302 PolarHBondContact O-N 2.91Å; L300-Q303 PolarHBondContact O-N 3.36Å; L300-D304 PolarHBondContact O-N 3.01Å |
| 301 | M | 93.6 | Very high | 92.3 | Very high | 123 Ų | 123 | 109.5 Ų | 109.5 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -39.1 | 176.4 | -73.4 | -174.9 | 169.1 | 0 | 0 | 112.5 | Q297 V298 D304 L305 | Q297-M301 WeakPolarHBondContact O-CG 3.42Å; Q297-M301 PolarHBondContact O-N 3.39Å; V298-M301 PolarHBondContact O-N 3.49Å; M301-D304 PolarHBondContact O-N 3.41Å; M301-L305 WeakPolarHBondContact O-CB 3.43Å; M301-L305 PolarHBondContact O-N 2.86Å |
| 302 | R | 94.4 | Very high | 92.4 | Very high | 179 Ų | 179 | 112 Ų | 112 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 177 | -174.1 | 177.2 | -177.2 | 179.3 | 1.2 | 111.5 | V298 M299 L300 L305 L306 | V298-R302 WeakPolarHBondContact O-CB 3.33Å; V298-R302 PolarHBondContact O-N 3.02Å; M299-R302 PolarHBondContact O-N 3.23Å; L300-R302 VanDerWaalsContact C-N 3.31Å; L300-R302 PolarHBondContact O-N 2.91Å; R302-L305 PolarHBondContact O-N 2.99Å; R302-L306 HydrophobicContact CG-CD1 4.24Å; R302-L306 WeakPolarHBondContact O-CB 3.45Å; R302-L306 VanDerWaalsContact O-CG 3.3Å; R302-L306 WeakPolarHBondContact O-CG 3.37Å; R302-L306 PolarHBondContact O-N 3.26Å |
| 303 | Q | 93.9 | Very high | 92.6 | Very high | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 176.1 | -173.1 | 176.3 | 58.8 | 0 | 0 | 111.3 | M299 L300 L305 L306 R307 | M299-Q303 PolarHBondContact O-N 2.96Å; L300-Q303 PolarHBondContact O-N 3.36Å; Q303-L305 PolarHBondContact O-N 2.88Å; Q303-L306 PolarHBondContact O-N 3.27Å; Q303-R307 WeakPolarHBondContact O-CB 3.39Å; Q303-R307 PolarHBondContact O-N 3.42Å |
| 304 | D | 94.5 | Very high | 93 | Very high | 81 Ų | 81 | 117.6 Ų | 117.6 | 43% | 0.433 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.2 | -88.1 | -3.8 | 0 | 0 | 0 | 112.4 | L300 M301 R307 R308 | L300-D304 PolarHBondContact O-N 3.01Å; M301-D304 PolarHBondContact O-N 3.41Å; D304-R307 PolarHBondContact O-N 3.39Å; D304-R308 WeakPolarHBondContact O-CG 3.32Å; D304-R308 PolarHBondContact O-N 3.3Å |
| 305 | L | 95.1 | Very high | 93.1 | Very high | 99 Ų | 99 | 119.1 Ų | 119.1 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 178.3 | -172 | 132.7 | 0 | 0 | 0 | 111.7 | M301 R302 Q303 R307 R308 Q309 | M301-L305 WeakPolarHBondContact O-CB 3.43Å; M301-L305 PolarHBondContact O-N 2.86Å; R302-L305 PolarHBondContact O-N 2.99Å; Q303-L305 PolarHBondContact O-N 2.88Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R308 PolarHBondContact O-N 3.12Å; L305-Q309 HydrophobicContact CD2-CG 4.34Å; L305-Q309 WeakPolarHBondContact O-CB 3.42Å; L305-Q309 WeakPolarHBondContact O-CG 3.46Å; L305-Q309 PolarHBondContact O-N 2.88Å |
| 306 | L | 93.9 | Very high | 93.1 | Very high | 91 Ų | 91 | 118.7 Ų | 118.7 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.5 | -75.3 | 170.5 | 0 | 0 | 0 | 111.4 | R302 Q303 R308 Q309 E310 | R302-L306 HydrophobicContact CG-CD1 4.24Å; R302-L306 WeakPolarHBondContact O-CB 3.45Å; R302-L306 VanDerWaalsContact O-CG 3.3Å; R302-L306 WeakPolarHBondContact O-CG 3.37Å; R302-L306 PolarHBondContact O-N 3.26Å; Q303-L306 PolarHBondContact O-N 3.27Å; L306-R308 PolarHBondContact O-N 2.92Å; L306-Q309 PolarHBondContact O-N 3.33Å; L306-E310 WeakPolarHBondContact O-CB 3.3Å; L306-E310 PolarHBondContact O-N 3.39Å |
| 307 | R | 94.5 | Very high | 93.2 | Very high | 160 Ų | 160 | 118.1 Ų | 118.1 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59 | -47.6 | 175.6 | -180 | -178 | 167 | 179.3 | 1.8 | 111.6 | Q303 D304 L305 E310 E311 | Q303-R307 WeakPolarHBondContact O-CB 3.39Å; Q303-R307 PolarHBondContact O-N 3.42Å; D304-R307 PolarHBondContact O-N 3.39Å; L305-R307 VanDerWaalsContact C-N 3.34Å; R307-E310 PolarHBondContact O-N 3.48Å; R307-E311 IonicContact CZ-OE1 3.71Å; R307-E311 IonicContact NE-OE1 3.65Å; R307-E311 PolarHBondContact NE-OE1 3.34Å; R307-E311 VanDerWaalsContact NE-OE1 3.12Å; R307-E311 IonicContact NH2-OE1 3.24Å; R307-E311 WeakPolarHBondContact O-CG 3.44Å; R307-E311 PolarHBondContact O-N 2.94Å |
| 308 | R | 93.6 | Very high | 93.3 | Very high | 167 Ų | 167 | 118.6 Ų | 118.6 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 177.9 | -71.6 | 178 | -173.6 | 178.2 | 4.6 | 112.6 | D304 L305 L306 E310 E311 L312 | D304-R308 WeakPolarHBondContact O-CG 3.32Å; D304-R308 PolarHBondContact O-N 3.3Å; L305-R308 PolarHBondContact O-N 3.12Å; L306-R308 PolarHBondContact O-N 2.92Å; R308-E310 VanDerWaalsContact C-N 3.31Å; R308-E311 PolarHBondContact O-N 3.3Å; R308-L312 WeakPolarHBondContact O-CG 3.43Å; R308-L312 PolarHBondContact O-N 2.97Å |
| 309 | Q | 92.5 | Very high | 93.2 | Very high | 107 Ų | 107 | 120.2 Ų | 120.2 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 174.7 | -80.1 | -176 | -11.7 | 0 | 0 | 111.6 | L305 L306 L312 R313 | L305-Q309 HydrophobicContact CD2-CG 4.34Å; L305-Q309 WeakPolarHBondContact O-CB 3.42Å; L305-Q309 WeakPolarHBondContact O-CG 3.46Å; L305-Q309 PolarHBondContact O-N 2.88Å; L306-Q309 PolarHBondContact O-N 3.33Å; Q309-L312 PolarHBondContact O-N 2.94Å; Q309-R313 VanDerWaalsContact O-CB 3.32Å; Q309-R313 WeakPolarHBondContact O-CB 3.4Å; Q309-R313 PolarHBondContact O-N 2.88Å |
| 310 | E | 93.6 | Very high | 93.1 | Very high | 105 Ų | 105 | 118 Ų | 118 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 177.9 | -165.2 | 166 | 164.2 | 0 | 0 | 112.2 | L306 R307 R308 R313 R314 | L306-E310 WeakPolarHBondContact O-CB 3.3Å; L306-E310 PolarHBondContact O-N 3.39Å; R307-E310 PolarHBondContact O-N 3.48Å; R308-E310 VanDerWaalsContact C-N 3.31Å; E310-R313 PolarHBondContact O-N 2.91Å; E310-R314 WeakPolarHBondContact O-CB 3.44Å; E310-R314 WeakPolarHBondContact O-CG 3.38Å; E310-R314 PolarHBondContact O-N 3.49Å; E310-R314 IonicContact OE1-CZ 3.71Å; E310-R314 IonicContact OE1-NE 3.15Å; E310-R314 IonicContact OE1-NH2 3.51Å; E310-R314 PolarHBondContact OE1-NH2 3.36Å |
| 311 | E | 92.6 | Very high | 93 | Very high | 95 Ų | 95 | 119 Ų | 119 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 171.2 | -74.1 | 172.2 | -171.7 | 0 | 0 | 111.7 | R307 R308 R314 M315 | R307-E311 IonicContact CZ-OE1 3.71Å; R307-E311 IonicContact NE-OE1 3.65Å; R307-E311 PolarHBondContact NE-OE1 3.34Å; R307-E311 VanDerWaalsContact NE-OE1 3.12Å; R307-E311 IonicContact NH2-OE1 3.24Å; R307-E311 WeakPolarHBondContact O-CG 3.44Å; R307-E311 PolarHBondContact O-N 2.94Å; R308-E311 PolarHBondContact O-N 3.3Å; E311-R314 PolarHBondContact O-N 2.89Å; E311-M315 WeakPolarHBondContact O-CB 3.49Å; E311-M315 PolarHBondContact O-N 2.85Å |
| 312 | L | 93 | Very high | 92.8 | Very high | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.5 | -75 | 170.2 | 0 | 0 | 0 | 111.7 | R308 Q309 R314 M315 E316 | R308-L312 WeakPolarHBondContact O-CG 3.43Å; R308-L312 PolarHBondContact O-N 2.97Å; Q309-L312 PolarHBondContact O-N 2.94Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 2.94Å; L312-M315 WeakPolarHBondContact O-CA 3.33Å; L312-M315 WeakPolarHBondContact O-CB 3.36Å; L312-M315 PolarHBondContact O-N 3.41Å; L312-E316 WeakPolarHBondContact O-CG 3.32Å; L312-E316 PolarHBondContact O-N 3.07Å |
| 313 | R | 93.8 | Very high | 92.6 | Very high | 160 Ų | 160 | 113.5 Ų | 113.5 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 178.9 | -174.6 | 179.4 | 175.7 | 166.1 | 6.3 | 111.9 | Q309 E310 M315 E316 E317 | Q309-R313 VanDerWaalsContact O-CB 3.32Å; Q309-R313 WeakPolarHBondContact O-CB 3.4Å; Q309-R313 PolarHBondContact O-N 2.88Å; E310-R313 PolarHBondContact O-N 2.91Å; R313-M315 VanDerWaalsContact C-N 3.3Å; R313-M315 PolarHBondContact O-N 3.3Å; R313-E316 PolarHBondContact O-N 3.4Å; R313-E317 IonicContact NE-OE1 2.82Å; R313-E317 PolarHBondContact NE-OE1 3.44Å; R313-E317 WeakPolarHBondContact O-CB 3.3Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 3.05Å |
| 314 | R | 92.9 | Very high | 92.3 | Very high | 151 Ų | 151 | 112.9 Ų | 112.9 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 174.2 | -74 | 177.3 | -169.9 | 179.7 | 6.3 | 111.5 | E310 E311 L312 E317 L318 | E310-R314 WeakPolarHBondContact O-CB 3.44Å; E310-R314 WeakPolarHBondContact O-CG 3.38Å; E310-R314 PolarHBondContact O-N 3.49Å; E310-R314 IonicContact OE1-CZ 3.71Å; E310-R314 IonicContact OE1-NE 3.15Å; E310-R314 IonicContact OE1-NH2 3.51Å; E310-R314 PolarHBondContact OE1-NH2 3.36Å; E311-R314 PolarHBondContact O-N 2.89Å; L312-R314 VanDerWaalsContact C-N 3.33Å; L312-R314 PolarHBondContact O-N 2.94Å; R314-E317 PolarHBondContact O-N 2.98Å; R314-L318 WeakPolarHBondContact O-CB 3.5Å; R314-L318 VanDerWaalsContact O-CG 3.27Å; R314-L318 WeakPolarHBondContact O-CG 3.49Å; R314-L318 PolarHBondContact O-N 3.47Å |
| 315 | M | 91.6 | Very high | 92.1 | Very high | 126 Ų | 126 | 115.3 Ų | 115.3 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.6 | -41.4 | 178.1 | -155.9 | -178.1 | -59.5 | 0 | 0 | 111.8 | E311 L312 R313 L318 H319 | E311-M315 WeakPolarHBondContact O-CB 3.49Å; E311-M315 PolarHBondContact O-N 2.85Å; L312-M315 WeakPolarHBondContact O-CA 3.33Å; L312-M315 WeakPolarHBondContact O-CB 3.36Å; L312-M315 PolarHBondContact O-N 3.41Å; R313-M315 VanDerWaalsContact C-N 3.3Å; R313-M315 PolarHBondContact O-N 3.3Å; M315-L318 PolarHBondContact O-N 3.45Å; M315-H319 WeakPolarHBondContact O-CB 3.38Å; M315-H319 PolarHBondContact O-N 2.95Å |
| 316 | E | 91.2 | Very high | 91.8 | Very high | 133 Ų | 133 | 119.8 Ų | 119.8 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -41.9 | 174.4 | -72.6 | 176.1 | 176.1 | 0 | 0 | 112.2 | L312 R313 H319 S320 | L312-E316 WeakPolarHBondContact O-CG 3.32Å; L312-E316 PolarHBondContact O-N 3.07Å; R313-E316 PolarHBondContact O-N 3.4Å; E316-H319 PolarHBondContact O-N 3.42Å; E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.49Å; E316-S320 PolarHBondContact O-N 3.37Å |
| 317 | E | 92.1 | Very high | 91.5 | Very high | 92 Ų | 92 | 122 Ų | 122 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.9 | -77.8 | 175.8 | -167.1 | 0 | 0 | 111.4 | R313 R314 S320 Q321 | R313-E317 IonicContact NE-OE1 2.82Å; R313-E317 PolarHBondContact NE-OE1 3.44Å; R313-E317 WeakPolarHBondContact O-CB 3.3Å; R313-E317 WeakPolarHBondContact O-CG 3.36Å; R313-E317 PolarHBondContact O-N 3.05Å; R314-E317 PolarHBondContact O-N 2.98Å; E317-S320 PolarHBondContact O-N 2.89Å; E317-Q321 WeakPolarHBondContact O-CB 3.37Å; E317-Q321 VanDerWaalsContact O-CG 3.32Å; E317-Q321 WeakPolarHBondContact O-CG 3.47Å; E317-Q321 PolarHBondContact O-N 3.34Å |
| 318 | L | 91.8 | Very high | 91 | Very high | 111 Ų | 111 | 120.4 Ų | 120.4 | 58% | 0.581 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.5 | -45.9 | 173.2 | -73.1 | 171.3 | 0 | 0 | 0 | 111.3 | R314 M315 S320 Q321 E322 | R314-L318 WeakPolarHBondContact O-CB 3.5Å; R314-L318 VanDerWaalsContact O-CG 3.27Å; R314-L318 WeakPolarHBondContact O-CG 3.49Å; R314-L318 PolarHBondContact O-N 3.47Å; M315-L318 PolarHBondContact O-N 3.45Å; L318-S320 PolarHBondContact O-N 2.85Å; L318-Q321 PolarHBondContact O-N 3.31Å; L318-E322 WeakPolarHBondContact O-CB 3.45Å; L318-E322 PolarHBondContact O-N 2.95Å |
| 319 | H | 91.4 | Very high | 90.6 | Very high | 129 Ų | 129 | 115.2 Ų | 115.2 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 177.6 | -172.4 | 67.3 | 0 | 0 | 0 | 112.2 | M315 E316 E322 V323 | M315-H319 WeakPolarHBondContact O-CB 3.38Å; M315-H319 PolarHBondContact O-N 2.95Å; E316-H319 PolarHBondContact O-N 3.42Å; H319-E322 WeakPolarHBondContact O-CB 3.49Å; H319-E322 PolarHBondContact O-N 3.29Å; H319-V323 WeakPolarHBondContact O-CG2 3.46Å; H319-V323 PolarHBondContact O-N 3.33Å |
| 320 | S | 91.6 | Very high | 90.1 | Very high | 62 Ų | 62 | 115.9 Ų | 115.9 | 43% | 0.434 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 112 | E316 E317 L318 E322 V323 Q324 | E316-S320 VanDerWaalsContact O-CB 3.3Å; E316-S320 WeakPolarHBondContact O-CB 3.49Å; E316-S320 PolarHBondContact O-N 3.37Å; E317-S320 PolarHBondContact O-N 2.89Å; L318-S320 PolarHBondContact O-N 2.85Å; S320-E322 VanDerWaalsContact C-N 3.35Å; S320-V323 PolarHBondContact O-N 3.36Å; S320-Q324 WeakPolarHBondContact O-CB 3.36Å; S320-Q324 WeakPolarHBondContact O-CG 3.49Å; S320-Q324 PolarHBondContact O-N 2.8Å |
| 321 | Q | 91.4 | Very high | 89.6 | Confident | 98 Ų | 98 | 117.2 Ų | 117.2 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -41.5 | 173.4 | -74 | 179.9 | 37.4 | 0 | 0 | 111.8 | E317 L318 Q324 K325 | E317-Q321 WeakPolarHBondContact O-CB 3.37Å; E317-Q321 VanDerWaalsContact O-CG 3.32Å; E317-Q321 WeakPolarHBondContact O-CG 3.47Å; E317-Q321 PolarHBondContact O-N 3.34Å; L318-Q321 PolarHBondContact O-N 3.31Å; Q321-Q324 PolarHBondContact O-N 3.46Å; Q321-K325 WeakPolarHBondContact O-CB 3.07Å; Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.24Å |
| 322 | E | 88.8 | Confident | 89 | Confident | 133 Ų | 133 | 117.1 Ų | 117.1 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59 | -47.7 | 174.9 | -161.2 | 78.8 | -149.3 | 0 | 0 | 110.7 | L318 H319 S320 K325 R326 | L318-E322 WeakPolarHBondContact O-CB 3.45Å; L318-E322 PolarHBondContact O-N 2.95Å; H319-E322 WeakPolarHBondContact O-CB 3.49Å; H319-E322 PolarHBondContact O-N 3.29Å; S320-E322 VanDerWaalsContact C-N 3.35Å; E322-K325 PolarHBondContact O-N 2.93Å; E322-R326 WeakPolarHBondContact O-CB 3.35Å; E322-R326 PolarHBondContact O-N 2.93Å |
| 323 | V | 90.9 | Very high | 88.3 | Confident | 55 Ų | 55 | 118.3 Ų | 118.3 | 33% | 0.333 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.5 | -42.5 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | H319 S320 R326 K327 | H319-V323 WeakPolarHBondContact O-CG2 3.46Å; H319-V323 PolarHBondContact O-N 3.33Å; S320-V323 PolarHBondContact O-N 3.36Å; V323-R326 PolarHBondContact O-N 2.82Å; V323-K327 HydrophobicContact CG1-CD 4.34Å; V323-K327 WeakPolarHBondContact O-CG 3.48Å; V323-K327 PolarHBondContact O-N 3.38Å |
| 324 | Q | 88.3 | Confident | 87.2 | Confident | 115 Ų | 115 | 119.9 Ų | 119.9 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.2 | -44.3 | 176.1 | -79.4 | -176.1 | -12 | 0 | 0 | 112.1 | S320 Q321 R326 K327 Q328 | S320-Q324 WeakPolarHBondContact O-CB 3.36Å; S320-Q324 WeakPolarHBondContact O-CG 3.49Å; S320-Q324 PolarHBondContact O-N 2.8Å; Q321-Q324 PolarHBondContact O-N 3.46Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 2.95Å; Q324-K327 PolarHBondContact O-N 3.45Å; Q324-Q328 WeakPolarHBondContact O-CG 3.27Å; Q324-Q328 PolarHBondContact O-N 3.47Å |
| 325 | K | 90.4 | Very high | 86.1 | Confident | 132 Ų | 132 | 119.8 Ų | 119.8 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.9 | -43.9 | 174.4 | -79 | 178.6 | -179.9 | 174.5 | 0 | 111.4 | Q321 E322 K327 Q328 A329 | Q321-K325 WeakPolarHBondContact O-CB 3.07Å; Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.24Å; E322-K325 PolarHBondContact O-N 2.93Å; K325-K327 PolarHBondContact O-N 2.97Å; K325-Q328 PolarHBondContact O-N 2.91Å; K325-A329 WeakPolarHBondContact O-CB 3.37Å; K325-A329 PolarHBondContact O-N 3.42Å |
| 326 | R | 87.4 | Confident | 84.7 | Confident | 194 Ų | 194 | 120.2 Ų | 120.2 | 73% | 0.732 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.4 | -45 | 176.1 | -171.5 | 174.8 | 177.3 | 176 | 0.1 | 111.6 | E322 V323 Q324 A329 E330 | E322-R326 WeakPolarHBondContact O-CB 3.35Å; E322-R326 PolarHBondContact O-N 2.93Å; V323-R326 PolarHBondContact O-N 2.82Å; Q324-R326 VanDerWaalsContact C-N 3.33Å; Q324-R326 PolarHBondContact O-N 2.95Å; R326-A329 PolarHBondContact O-N 2.99Å; R326-E330 WeakPolarHBondContact O-CB 3.4Å; R326-E330 PolarHBondContact O-N 2.86Å |
| 327 | K | 87.8 | Confident | 83 | Confident | 138 Ų | 138 | 119.6 Ų | 119.6 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.4 | -43 | 175.1 | -74.9 | 178.3 | 179 | -178.9 | 0 | 112.6 | V323 Q324 K325 E330 M331 | V323-K327 HydrophobicContact CG1-CD 4.34Å; V323-K327 WeakPolarHBondContact O-CG 3.48Å; V323-K327 PolarHBondContact O-N 3.38Å; Q324-K327 PolarHBondContact O-N 3.45Å; K325-K327 PolarHBondContact O-N 2.97Å; K327-E330 PolarHBondContact O-N 3.29Å; K327-M331 WeakPolarHBondContact O-CB 3.37Å; K327-M331 PolarHBondContact O-N 2.94Å |
| 328 | Q | 84.4 | Confident | 81.2 | Confident | 125 Ų | 125 | 118.2 Ų | 118.2 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.2 | -44.9 | 176.9 | -76.8 | -178.6 | -1.8 | 0 | 0 | 111.9 | Q324 K325 E330 M331 I332 | Q324-Q328 WeakPolarHBondContact O-CG 3.27Å; Q324-Q328 PolarHBondContact O-N 3.47Å; K325-Q328 PolarHBondContact O-N 2.91Å; Q328-E330 VanDerWaalsContact C-N 3.32Å; Q328-E330 PolarHBondContact O-N 2.87Å; Q328-M331 PolarHBondContact O-N 3.47Å; Q328-I332 WeakPolarHBondContact O-CG1 3.47Å; Q328-I332 PolarHBondContact O-N 3.39Å |
| 329 | A | 84.7 | Confident | 79.1 | Confident | 58 Ų | 58 | 122.4 Ų | 122.4 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.4 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K325 R326 I332 K333 | K325-A329 WeakPolarHBondContact O-CB 3.37Å; K325-A329 PolarHBondContact O-N 3.42Å; R326-A329 PolarHBondContact O-N 2.99Å; A329-I332 PolarHBondContact O-N 3.21Å; A329-K333 WeakPolarHBondContact O-CB 3.32Å; A329-K333 PolarHBondContact O-N 3.46Å |
| 330 | E | 82.9 | Confident | 76.8 | Confident | 122 Ų | 122 | 127.4 Ų | 127.4 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.8 | -40.5 | 174.7 | -169.5 | 176.8 | 174.5 | 0 | 0 | 112.1 | R326 K327 Q328 K333 R334 | R326-E330 WeakPolarHBondContact O-CB 3.4Å; R326-E330 PolarHBondContact O-N 2.86Å; K327-E330 PolarHBondContact O-N 3.29Å; Q328-E330 VanDerWaalsContact C-N 3.32Å; Q328-E330 PolarHBondContact O-N 2.87Å; E330-K333 PolarHBondContact O-N 3.49Å; E330-R334 PolarHBondContact O-N 3.27Å |
| 331 | M | 82.9 | Confident | 74.4 | Confident | 133 Ų | 133 | 127.7 Ų | 127.7 | 66% | 0.655 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.4 | -43.9 | 175.2 | -169.6 | -175.1 | -69.1 | 0 | 0 | 112.2 | K327 Q328 R334 Q335 | K327-M331 WeakPolarHBondContact O-CB 3.37Å; K327-M331 PolarHBondContact O-N 2.94Å; Q328-M331 PolarHBondContact O-N 3.47Å; M331-R334 WeakPolarHBondContact O-CB 3.44Å; M331-R334 PolarHBondContact O-N 2.85Å; M331-Q335 PolarHBondContact O-N 3.34Å |
| 332 | I | 80.8 | Confident | 71.6 | Confident | 92 Ų | 92 | 126 Ų | 126 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.1 | -43.5 | 175.1 | -68.9 | 168 | 0 | 0 | 0 | 110.6 | Q328 A329 R334 Q335 Q336 | Q328-I332 WeakPolarHBondContact O-CG1 3.47Å; Q328-I332 PolarHBondContact O-N 3.39Å; A329-I332 PolarHBondContact O-N 3.21Å; I332-R334 PolarHBondContact O-N 2.95Å; I332-Q335 PolarHBondContact O-N 3.36Å; I332-Q335 VanDerWaalsContact O-N 3.14Å; I332-Q336 PolarHBondContact O-N 2.98Å |
| 333 | K | 76.6 | Confident | 69 | Low | 126 Ų | 126 | 129 Ų | 129 | 55% | 0.548 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.7 | -44.7 | 176 | -173.7 | -179.2 | 173.7 | -173.2 | 0 | 111.4 | A329 E330 Q335 Q336 E337 | A329-K333 WeakPolarHBondContact O-CB 3.32Å; A329-K333 PolarHBondContact O-N 3.46Å; E330-K333 PolarHBondContact O-N 3.49Å; K333-Q335 VanDerWaalsContact C-N 3.32Å; K333-Q335 PolarHBondContact O-N 2.86Å; K333-Q336 PolarHBondContact O-N 3.42Å; K333-E337 WeakPolarHBondContact CE-OE1 3.37Å; K333-E337 IonicContact NZ-OE1 3.94Å; K333-E337 WeakPolarHBondContact O-CB 3.46Å; K333-E337 WeakPolarHBondContact O-CG 3.47Å; K333-E337 PolarHBondContact O-N 3.14Å |
| 334 | R | 72.3 | Confident | 67.1 | Low | 192 Ų | 192 | 131.4 Ų | 131.4 | 73% | 0.725 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.7 | -39.4 | 173.1 | -100.1 | -176.6 | 164.5 | -154.6 | -3.1 | 112.9 | E330 M331 I332 G338 | E330-R334 PolarHBondContact O-N 3.27Å; M331-R334 WeakPolarHBondContact O-CB 3.44Å; M331-R334 PolarHBondContact O-N 2.85Å; I332-R334 PolarHBondContact O-N 2.95Å; R334-G338 PolarHBondContact O-N 3.47Å |
| 335 | Q | 68.2 | Low | 64.5 | Low | 150 Ų | 150 | 134.3 Ų | 134.3 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.7 | -36.4 | 178.8 | -138.5 | 175.9 | 51.1 | 0 | 0 | 111.9 | M331 I332 K333 F339 | M331-Q335 PolarHBondContact O-N 3.34Å; I332-Q335 PolarHBondContact O-N 3.36Å; I332-Q335 VanDerWaalsContact O-N 3.14Å; K333-Q335 VanDerWaalsContact C-N 3.32Å; K333-Q335 PolarHBondContact O-N 2.86Å; Q335-F339 PolarHBondContact O-N 3.31Å |
| 336 | Q | 62.3 | Low | 62.1 | Low | 135 Ų | 135 | 135.8 Ų | 135.8 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.7 | -38.6 | 173.4 | -74 | -179 | 7.5 | 0 | 0 | 112.8 | I332 K333 G338 F339 | I332-Q336 PolarHBondContact O-N 2.98Å; K333-Q336 PolarHBondContact O-N 3.42Å; Q336-G338 VanDerWaalsContact C-N 3.31Å; Q336-F339 PolarHBondContact O-N 2.92Å; Q336-F339 VanDerWaalsContact O-N 3.15Å |
| 337 | E | 57 | Low | 59.5 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 56% | 0.556 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.8 | -32.5 | 173.6 | -75.4 | 176.3 | 176.1 | 0 | 0 | 111.7 | K333 F339 R340 | K333-E337 WeakPolarHBondContact CE-OE1 3.37Å; K333-E337 IonicContact NZ-OE1 3.94Å; K333-E337 WeakPolarHBondContact O-CB 3.46Å; K333-E337 WeakPolarHBondContact O-CG 3.47Å; K333-E337 PolarHBondContact O-N 3.14Å; E337-F339 PolarHBondContact O-N 3.28Å; E337-R340 PolarHBondContact O-N 2.91Å |
| 338 | G | 53.6 | Low | 56.8 | Low | 63 Ų | 63 | 139.2 Ų | 139.2 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -17.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R334 Q336 | R334-G338 PolarHBondContact O-N 3.47Å; Q336-G338 VanDerWaalsContact C-N 3.31Å |
| 339 | F | 47 | Very low | 54.2 | Low | 199 Ų | 199 | 140.7 Ų | 140.7 | 87% | 0.873 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -5.3 | 177.2 | -139.9 | -93.9 | 0 | 0 | 0 | 113.2 | Q335 Q336 E337 | Q335-F339 PolarHBondContact O-N 3.31Å; Q336-F339 PolarHBondContact O-N 2.92Å; Q336-F339 VanDerWaalsContact O-N 3.15Å; E337-F339 PolarHBondContact O-N 3.28Å |
| 340 | R | 44.5 | Very low | 51.5 | Low | 234 Ų | 234 | 145.3 Ų | 145.3 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -113.4 | 6.8 | -176.3 | -136.3 | -178.6 | -171.8 | -171.3 | 2.3 | 114.9 | E337 | E337-R340 PolarHBondContact O-N 2.91Š|
| 341 | G | 40.7 | Very low | 49.1 | Very low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -126.2 | 66.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 342 | G | 32.9 | Very low | 46.9 | Very low | 63 Ų | 63 | 151.2 Ų | 151.2 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -117.3 | 94.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 343 | F | 33.6 | Very low | 44.9 | Very low | 197 Ų | 197 | 153.9 Ų | 153.9 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | 68.4 | 157.9 | 149.2 | -74.2 | -90 | 0 | 0 | 0 | 121.5 | ||||
| 344 | P | 50.7 | Low | 43 | Very low | 104 Ų | 104 | 156.7 Ų | 156.7 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -119.4 | 176.2 | -5.5 | 28.6 | -5.9 | 0 | 0 | 0 | 110.9 | ||||
| 345 | E | 33.3 | Very low | 41.1 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | -176.2 | 136.7 | 51.4 | -151.5 | 159.8 | -161.3 | 0 | 0 | 109.2 | |||||
| 346 | N | 39.8 | Very low | 39.5 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -65.4 | 134 | 170.2 | -82.9 | -27.6 | 0 | 0 | 0 | 110.2 | ||||
| 347 | R | 32.8 | Very low | 38.1 | Very low | 248 Ų | 248 | 150 Ų | 150 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | -146 | 131.7 | 140.1 | -145.7 | 173.4 | -159.9 | 169.6 | 5.8 | 111.3 | ||||
| 348 | E | 32.8 | Very low | 37.2 | Very low | 156 Ų | 156 | 153.9 Ų | 153.9 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | -62.2 | 165.3 | -177.6 | -60.9 | 168.5 | 121 | 0 | 0 | 113.6 | ||||
| 349 | Q | 29.5 | Very low | 36.3 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 73% | 0.729 | 80% | 0.8 | S | S | * | * | trans | 87.9 | 120.2 | 140.8 | -83.2 | 156.6 | 22.3 | 0 | 0 | 120.5 | ||||
| 350 | E | 28.1 | Very low | 35.6 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | 92.2 | 113 | 133 | -90 | -173.4 | 156.1 | 0 | 0 | 121.4 | ||||
| 351 | M | 32 | Very low | 35.4 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | 76.7 | 104.4 | 123.1 | -136.2 | -172 | -72.6 | 0 | 0 | 118.4 | |||||
| 352 | R | 36.1 | Very low | 35.4 | Very low | 225 Ų | 225 | 153.9 Ų | 153.9 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 160.9 | 131.1 | 138.9 | -98.3 | 177.1 | 170.8 | -161.7 | -1.5 | 108.6 | ||||
| 353 | M | 38.8 | Very low | 35.7 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | cis | -153 | 142.8 | 12.5 | -90.3 | -172.3 | -179.5 | 0 | 0 | 108.2 | ||||
| 354 | H | 36.4 | Very low | 35.9 | Very low | 185 Ų | 185 | 158.1 Ų | 158.1 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -63.1 | 133.5 | 148 | -107.8 | 55.8 | 0 | 0 | 0 | 109.3 | ||||
| 355 | M | 33.9 | Very low | 35.4 | Very low | 186 Ų | 186 | 159.6 Ų | 159.6 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -155.9 | 115.4 | 133.2 | -105.1 | -58.3 | -159.5 | 0 | 0 | 108.9 | ||||
| 356 | G | 33.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 155.3 Ų | 155.3 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 154.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 357 | G | 33.5 | Very low | 35.6 | Very low | 78 Ų | 78 | 155.7 Ų | 155.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -150.4 | 98.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 358 | H | 37.7 | Very low | 35.7 | Very low | 202 Ų | 202 | 147.6 Ų | 147.6 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | -65.3 | 149.3 | 165.7 | -85.6 | 57.9 | 0 | 0 | 0 | 110.3 | ||||
| 359 | G | 33.5 | Very low | 35.9 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 157.8 | 102.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 360 | M | 34.2 | Very low | 36.2 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 96% | 0.956 | 81% | 0.805 | S | S | * | * | trans | 78.5 | 120.3 | 139.3 | -67.4 | -77.6 | 176.6 | 0 | 0 | 120.8 | ||||
| 361 | S | 39.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -74.5 | 148.3 | 159 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 362 | M | 40.4 | Very low | 36.8 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 93% | 0.931 | 81% | 0.812 | S | S | * | * | trans | -168.1 | 152.9 | 138.8 | -102.1 | -76.1 | -164.7 | 0 | 0 | 110.9 | ||||
| 363 | N | 38.9 | Very low | 36.7 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | trans | -104.1 | 152.2 | -157.1 | 178.1 | 44.7 | 0 | 0 | 0 | 111.9 | ||||
| 364 | R | 38 | Very low | 36.6 | Very low | 219 Ų | 219 | 130.3 Ų | 130.3 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 175.8 | 126.6 | 131.1 | -105.9 | 179.3 | -168.4 | -174.5 | 4.5 | 113.9 | ||||
| 365 | N | 39.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 72% | 0.717 | 82% | 0.819 | S | S | * | * | 58.1 | 143.1 | 129.8 | -75.9 | 30.3 | 0 | 0 | 0 | 119.2 | |||||
| 366 | S | 36.4 | Very low | 36.5 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 62% | 0.615 | 82% | 0.816 | S | S | * | * | cis | -179.5 | 159.5 | 10 | 179 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 367 | L | 41.8 | Very low | 36.6 | Very low | 170 Ų | 170 | 123.7 Ų | 123.7 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | 72.6 | 134.9 | 161.7 | -61.5 | 131.3 | 0 | 0 | 0 | 117.7 | ||||
| 368 | G | 34.1 | Very low | 36.7 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | cis | 166 | 154.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 369 | G | 36.3 | Very low | 36.7 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | 99.9 | 96.6 | 164 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 370 | N | 36 | Very low | 36.8 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | 56.4 | 122.7 | 72.1 | -140 | 54.5 | 0 | 0 | 0 | 112.1 | |||||
| 371 | S | 39.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | cis | -161.5 | 137.9 | 38.8 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 372 | G | 33.2 | Very low | 36.6 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | 102.1 | 87.2 | 86.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 373 | A | 33.8 | Very low | 36.4 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -123.1 | 135.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 374 | A | 37.4 | Very low | 36.4 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 50.6 | 100.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 375 | G | 33.4 | Very low | 37.1 | Very low | 91 Ų | 91 | 114 Ų | 114 | 94% | 0.938 | 82% | 0.822 | S | S | * | * | trans | -85.5 | 112.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 376 | A | 34.2 | Very low | 37.2 | Very low | 103 Ų | 103 | 116 Ų | 116 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -129.7 | 115.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 377 | A | 37.4 | Very low | 37.4 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -145.5 | 135.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 378 | G | 35.6 | Very low | 37.1 | Very low | 75 Ų | 75 | 116.9 Ų | 116.9 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | cis | 145 | 116.6 | 23.6 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 379 | M | 37.7 | Very low | 37 | Very low | 196 Ų | 196 | 116.4 Ų | 116.4 | 97% | 0.966 | 83% | 0.832 | S | S | * | * | trans | -60.6 | 145.1 | -176.2 | -68.5 | 173.5 | 150.1 | 0 | 0 | 112.6 | ||||
| 380 | A | 34.6 | Very low | 36.9 | Very low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -152.7 | 118 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 381 | A | 36.8 | Very low | 36.7 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -87.5 | 148.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 382 | E | 33.3 | Very low | 36.6 | Very low | 186 Ų | 186 | 115.3 Ų | 115.3 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | trans | -177 | 143.7 | 132.4 | -108.3 | -178.7 | 153.2 | 0 | 0 | 114.1 | ||||
| 383 | S | 36.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 114.7 Ų | 114.7 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | trans | 76.8 | 116.5 | 144.2 | 65 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 384 | A | 38.8 | Very low | 36.8 | Very low | 88 Ų | 88 | 115.9 Ų | 115.9 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -66.8 | 173.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 385 | P | 52 | Low | 37 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | -136.8 | 162 | 110.1 | 34.4 | -21.1 | 0 | 0 | 0 | 115.3 | |||||
| 386 | M | 41.8 | Very low | 37.9 | Very low | 177 Ų | 177 | 120.8 Ų | 120.8 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -83.2 | 162.9 | 180 | -61 | -161.5 | 176.5 | 0 | 0 | 113.8 | ||||
| 387 | M | 41.4 | Very low | 37.9 | Very low | 186 Ų | 186 | 119.2 Ų | 119.2 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | 141.3 | 144.9 | 142.7 | -78.1 | -85.4 | -173.1 | 0 | 0 | 109 | ||||
| 388 | A | 34.2 | Very low | 37.9 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | cis | -177.7 | 154.5 | -20.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 389 | G | 32.4 | Very low | 37.8 | Very low | 67 Ų | 67 | 118.2 Ų | 118.2 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 106.3 | 105.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 390 | S | 34.1 | Very low | 38.2 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | 103.5 | 126.6 | 53 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 391 | G | 32.6 | Very low | 38.3 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | 121.6 | 87 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 392 | S | 36.1 | Very low | 38.3 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | 79.2 | 120.3 | 85.6 | 67.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 393 | G | 34.6 | Very low | 38.8 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | 159.6 | 68.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 394 | S | 37.6 | Very low | 39.7 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | 23.1 | 122.8 | 143 | -47.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 395 | L | 42.7 | Very low | 40 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -67.2 | 151.4 | 145.8 | -75.6 | 158.9 | 0 | 0 | 0 | 110.1 | ||||
| 396 | P | 50.4 | Low | 39.3 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | -140.7 | 152.7 | 89.8 | 35.3 | -18.6 | 0 | 0 | 0 | 111.9 | |||||
| 397 | G | 34.6 | Very low | 39.2 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | 124 | 133 | 76.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 398 | G | 37.4 | Very low | 39.4 | Very low | 88 Ų | 88 | 119.5 Ų | 119.5 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -70.8 | 165.2 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 399 | G | 34.1 | Very low | 39.9 | Very low | 75 Ų | 75 | 118.3 Ų | 118.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -159.5 | 115.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 400 | Q | 45.4 | Very low | 40.8 | Very low | 209 Ų | 209 | 121.7 Ų | 121.7 | 98% | 0.977 | 83% | 0.829 | S | S | * | * | trans | -59.4 | 134.3 | 172.1 | -72.1 | 167.2 | 1.9 | 0 | 0 | 111.3 | ||||
| 401 | G | 36.5 | Very low | 41 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -146.7 | 117.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 402 | G | 37.6 | Very low | 41 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | cis | 101.1 | 72.2 | 42 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 403 | F | 44.3 | Very low | 41.3 | Very low | 206 Ų | 206 | 127.8 Ų | 127.8 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -56.9 | 126.8 | 173.6 | -65.6 | -91.4 | 0 | 0 | 0 | 110.1 | R405 | F403-R405 PolarHBondContact O-N 3.15Š| ||
| 404 | P | 54.6 | Low | 41.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -76.1 | 115 | 168.5 | 26.6 | -27.9 | 0 | 0 | 0 | 110.1 | ||||
| 405 | R | 46 | Very low | 41.7 | Very low | 244 Ų | 244 | 134.8 Ų | 134.8 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 146.5 | 164.8 | -95.9 | 176.7 | 164.2 | -173.3 | -4.2 | 111.8 | F403 | F403-R405 PolarHBondContact O-N 3.15Š|
| 406 | G | 37.3 | Very low | 41.6 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58 | 156.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 407 | L | 39.4 | Very low | 41.2 | Very low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 142.9 | 170.9 | -82.8 | 150.9 | 0 | 0 | 0 | 110.4 | ||
| 408 | P | 45.6 | Very low | 41.4 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -78 | 140.6 | -171.9 | 31.2 | -34.1 | 0 | 0 | 0 | 112.4 | ||
| 409 | G | 45.3 | Very low | 41.6 | Very low | 65 Ų | 65 | 156.5 Ų | 156.5 | 67% | 0.67 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72 | 154.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G411 | G409-G411 PolarHBondContact O-N 3.38Š|
| 410 | P | 50.7 | Low | 42 | Very low | 137 Ų | 137 | 160.6 Ų | 160.6 | 89% | 0.89 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.5 | 174.1 | 26.1 | -30.4 | 0 | 0 | 0 | 110.4 | ||
| 411 | G | 37.2 | Very low | 41.8 | Very low | 62 Ų | 62 | 158.1 Ų | 158.1 | 64% | 0.639 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G409 | G409-G411 PolarHBondContact O-N 3.38Š|
| 412 | D | 34.6 | Very low | 42.1 | Very low | 171 Ų | 171 | 162.5 Ų | 162.5 | 91% | 0.914 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 125 | 167.6 | -72.1 | -55.2 | 0 | 0 | 0 | 113 | ||
| 413 | Y | 41.6 | Very low | 42.4 | Very low | 221 Ų | 221 | 167.9 Ų | 167.9 | 87% | 0.867 | 85% | 0.853 | S | S | * | * | trans | -110.7 | 131 | 155.8 | -81.5 | -85.9 | 0 | 0 | 0 | 109.8 | ||||
| 414 | N | 35.2 | Very low | 42.3 | Very low | 157 Ų | 157 | 165.5 Ų | 165.5 | 84% | 0.84 | 85% | 0.85 | S | S | * | * | trans | 84.3 | 89.9 | 163.1 | -82.5 | -10.4 | 0 | 0 | 0 | 120.5 | ||||
| 415 | K | 44.4 | Very low | 41.4 | Very low | 187 Ų | 187 | 167.9 Ų | 167.9 | 81% | 0.813 | 85% | 0.851 | S | S | * | * | -78.7 | 125.9 | 127.8 | -74.8 | 175.5 | 179 | 172.2 | 0 | 108.8 | |||||
| 416 | Q | 42.4 | Very low | 41.1 | Very low | 183 Ų | 183 | 162.5 Ų | 162.5 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | 168.1 | 127.5 | 109.7 | -109.5 | 136.7 | -11.1 | 0 | 0 | 112.7 | |||||
| 417 | R | 40.6 | Very low | 41.4 | Very low | 240 Ų | 240 | 169.2 Ų | 169.2 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | trans | -67.7 | 142.2 | 159.3 | -73.8 | 179.6 | 170.4 | -162.8 | -2.6 | 111 | ||||
| 418 | R | 40.2 | Very low | 41.6 | Very low | 225 Ų | 225 | 168.8 Ų | 168.8 | 85% | 0.849 | 85% | 0.845 | S | S | * | * | trans | 168.1 | 107.7 | 140 | -97.5 | 179.7 | -178.8 | -169.4 | 0.5 | 105.1 | ||||
| 419 | F | 41.2 | Very low | 41.2 | Very low | 260 Ų | 260 | 173.5 Ų | 173.5 | 100% | 1.14 | 85% | 0.853 | S | S | * | * | -171.3 | 0 | 72.3 | -100 | -80.7 | 0 | 0 | 0 | 108.7 |
Retrieved 419 of 419 residues in 986.3 ms
(Link to these results)