| 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 | 39.7 | Very low | 48.6 | Very low | 251 Ų | 251 | 127.2 Ų | 127.2 | 100% | 1.236 | 68% | 0.675 | S | S | * | * | 0 | 119 | 0 | -59.8 | -171 | -131.9 | 0 | 0 | 107.3 | |||||
| 2 | S | 39.6 | Very low | 49.1 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 44% | 0.441 | 67% | 0.672 | S | S | . | * | cis | -163 | 109.7 | 4.3 | 177.5 | 0 | 0 | 0 | 0 | 105.5 | E4 K5 | S2-E4 PolarHBondContact O-N 2.88Å; S2-K5 PolarHBondContact O-N 3.42Å | ||
| 3 | A | 50.1 | Low | 49.6 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -64.8 | -17 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K5 | A3-K5 VanDerWaalsContact C-N 3.3Å; A3-K5 PolarHBondContact O-N 2.98Å |
| 4 | E | 53.2 | Low | 49.7 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -76.3 | -11.5 | 175.9 | -66.1 | 179.1 | 137.9 | 0 | 0 | 113.9 | S2 S7 | S2-E4 PolarHBondContact O-N 2.88Å; E4-S7 PolarHBondContact O-OG 3.46Å |
| 5 | K | 50.6 | Low | 49.9 | Very low | 157 Ų | 157 | 123.2 Ų | 123.2 | 68% | 0.683 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -83.1 | -18.5 | -179.9 | -144.3 | 174 | -174.4 | -175.7 | 0 | 113.3 | S2 A3 | S2-K5 PolarHBondContact O-N 3.42Å; A3-K5 VanDerWaalsContact C-N 3.3Å; A3-K5 PolarHBondContact O-N 2.98Å |
| 6 | L | 47.6 | Very low | 50 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -24.5 | -179.8 | -68.5 | 173.2 | 0 | 0 | 0 | 113.4 | R8 | L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.26Å |
| 7 | S | 51.1 | Low | 50.2 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 51% | 0.51 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -24 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | E4 I9 S11 | E4-S7 PolarHBondContact O-OG 3.46Å; S7-I9 VanDerWaalsContact C-N 3.33Å; S7-I9 PolarHBondContact O-N 3.25Å; S7-S11 PolarHBondContact O-OG 3.25Å |
| 8 | R | 45.8 | Very low | 50 | Low | 190 Ų | 190 | 126.9 Ų | 126.9 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -22.2 | -179.3 | -79.6 | -171.8 | 176.2 | 124.2 | -1 | 114.3 | L6 | L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.26Å |
| 9 | I | 54.7 | Low | 49.6 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 59% | 0.59 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -34.9 | -176.9 | -65.2 | 163 | 0 | 0 | 0 | 110.8 | S7 S11 | S7-I9 VanDerWaalsContact C-N 3.33Å; S7-I9 PolarHBondContact O-N 3.25Å; I9-S11 PolarHBondContact O-N 3.45Å |
| 10 | D | 51.4 | Low | 49 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 51% | 0.508 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -11.9 | 179.3 | -81.6 | 13.2 | 0 | 0 | 0 | 113.1 | R94 | D10-R94 IonicContact OD2-CZ 3.75Å; D10-R94 IonicContact OD2-NH1 3.46Å; D10-R94 IonicContact OD2-NH2 2.62Å; D10-R94 PolarHBondContact OD2-NH2 3.28Å |
| 11 | S | 50.3 | Low | 48.6 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -6.8 | -177.9 | -55.7 | 0 | 0 | 0 | 0 | 115.1 | S7 I9 | S7-S11 PolarHBondContact O-OG 3.25Å; I9-S11 PolarHBondContact O-N 3.45Å |
| 12 | I | 55 | Low | 48.4 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 65% | 0.646 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -83.2 | -23.4 | -175.1 | -64.5 | 170.1 | 0 | 0 | 0 | 112 | D14 T15 | I12-D14 PolarHBondContact O-N 3.44Å; I12-T15 PolarHBondContact O-OG1 3.28Å |
| 13 | D | 55.3 | Low | 48.4 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -13.3 | -173.1 | -122.8 | 7.1 | 0 | 0 | 0 | 114.1 | ||
| 14 | D | 51.8 | Low | 47.9 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -7.1 | -176 | -86.4 | -38.1 | 0 | 0 | 0 | 114.6 | I12 D16 K17 | I12-D14 PolarHBondContact O-N 3.44Å; D14-D16 PolarHBondContact O-N 2.8Å; D14-K17 IonicContact OD1-NZ 3.86Å; D14-K17 PolarHBondContact OD1-NZ 2.82Å |
| 15 | T | 52.3 | Low | 47.6 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | -176.5 | 48.9 | 0 | 0 | 0 | 0 | 115.3 | I12 | I12-T15 PolarHBondContact O-OG1 3.28Š|
| 16 | D | 51.7 | Low | 47.2 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -2.2 | -173.9 | -150.1 | 20 | 0 | 0 | 0 | 114.5 | D14 T18 | D14-D16 PolarHBondContact O-N 2.8Å; D16-T18 PolarHBondContact O-N 3.01Å |
| 17 | K | 53 | Low | 47.1 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 74% | 0.735 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 5.8 | -174.3 | -75.6 | 178.7 | -173.2 | 149.6 | 0 | 116.1 | D14 | D14-K17 IonicContact OD1-NZ 3.86Å; D14-K17 PolarHBondContact OD1-NZ 2.82Å |
| 18 | T | 47.7 | Very low | 46.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 6 | -169 | 50.3 | 0 | 0 | 0 | 0 | 117 | D16 K20 | D16-T18 PolarHBondContact O-N 3.01Å; T18-K20 PolarHBondContact O-N 2.89Å |
| 19 | R | 40.7 | Very low | 46.4 | Very low | 248 Ų | 248 | 136.9 Ų | 136.9 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | -90 | 85 | 176.3 | -119.6 | 178.8 | -179 | 178.3 | -0.1 | 112.8 | ||||
| 20 | K | 39.1 | Very low | 46 | Very low | 213 Ų | 213 | 137.1 Ų | 137.1 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | trans | -99.9 | 116 | 156.9 | -85.5 | -174.5 | 175 | -178.9 | 0 | 108.5 | T18 | T18-K20 PolarHBondContact O-N 2.89Š| ||
| 21 | G | 39.2 | Very low | 45.5 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -151.8 | 118.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 22 | S | 35.4 | Very low | 45.4 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -66.8 | 141.6 | -178.2 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 23 | H | 41.3 | Very low | 45.1 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -166.1 | 130.7 | 135.7 | -117.8 | -76.1 | 0 | 0 | 0 | 112.8 | ||||
| 24 | D | 38.6 | Very low | 45 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 144 | 168.3 | -78.7 | -46.7 | 0 | 0 | 0 | 113.1 | ||||
| 25 | T | 46.9 | Very low | 44.7 | Very low | 139 Ų | 139 | 152.7 Ų | 152.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | -178.3 | 141.1 | 110.1 | 14.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 26 | S | 41.5 | Very low | 44.7 | Very low | 108 Ų | 108 | 153.5 Ų | 153.5 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -59.7 | 132.7 | 175.5 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 27 | Q | 46.7 | Very low | 44.3 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -133.2 | 131.7 | 152.6 | -82.1 | -169.6 | 8.1 | 0 | 0 | 111.3 | ||||
| 28 | T | 43.2 | Very low | 44.4 | Very low | 133 Ų | 133 | 153.1 Ų | 153.1 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -78.7 | 144.8 | -173.7 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 29 | D | 39 | Very low | 44.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | trans | 5.5 | 122.2 | 154.1 | -95.1 | -40.9 | 0 | 0 | 0 | 119.7 | ||||
| 30 | S | 46.7 | Very low | 44.6 | Very low | 121 Ų | 121 | 152 Ų | 152 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | -160.7 | 99.3 | 123.9 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | R32 | S30-R32 PolarHBondContact O-N 2.84Š| |||
| 31 | R | 41.3 | Very low | 45 | Very low | 234 Ų | 234 | 153 Ų | 153 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -70.8 | 116.1 | 168.4 | -70.1 | 178.9 | 178.3 | -178.2 | -0.1 | 109.4 | ||||
| 32 | R | 47.2 | Very low | 45.3 | Very low | 238 Ų | 238 | 157.6 Ų | 157.6 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -113 | 111.4 | 163.6 | -161 | -179.4 | -168.5 | -168 | 4.1 | 108.7 | S30 S34 | S30-R32 PolarHBondContact O-N 2.84Å; R32-S34 PolarHBondContact O-N 3.14Å | ||
| 33 | P | 48.1 | Very low | 46.3 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -82.6 | 111.8 | 170.6 | 30.4 | -26.6 | 0 | 0 | 0 | 108.5 | I35 | P33-I35 PolarHBondContact O-N 2.67Š| ||
| 34 | S | 53.5 | Low | 46.5 | Very low | 102 Ų | 102 | 158.7 Ų | 158.7 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 101.1 | 166 | 56.2 | 0 | 0 | 0 | 0 | 108.8 | R32 I36 | R32-S34 PolarHBondContact O-N 3.14Å; S34-I36 PolarHBondContact O-N 3.21Å; S34-I36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | I | 46.8 | Very low | 46.8 | Very low | 158 Ų | 158 | 159.8 Ų | 159.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -70 | 99.3 | 167.3 | -62.3 | 169.3 | 0 | 0 | 0 | 107.2 | P33 | P33-I35 PolarHBondContact O-N 2.67Š| ||
| 36 | I | 51.3 | Low | 46.8 | Very low | 127 Ų | 127 | 158.2 Ų | 158.2 | 65% | 0.651 | 80% | 0.798 | S | S | * | * | trans | -117.6 | 113.9 | 160.3 | -63.2 | 166.5 | 0 | 0 | 0 | 105.7 | S34 Q38 | S34-I36 PolarHBondContact O-N 3.21Å; S34-I36 VanDerWaalsContact O-N 3.12Å; I36-Q38 VanDerWaalsContact C-N 3.27Å; I36-Q38 HydrophobicContact CG2-CG 4.29Å; I36-Q38 PolarHBondContact O-N 3.3Å | ||
| 37 | P | 42.7 | Very low | 47.1 | Very low | 118 Ų | 118 | 162.3 Ų | 162.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -73.4 | 92 | 168 | 30.2 | -27.5 | 0 | 0 | 0 | 106.7 | S39 | P37-S39 VanDerWaalsContact C-N 3.3Å; P37-S39 PolarHBondContact O-N 3.36Å | ||
| 38 | Q | 54.9 | Low | 47 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -64.5 | 100.3 | 164.6 | -89.6 | -172.6 | -20.7 | 0 | 0 | 107.8 | I36 R40 | I36-Q38 VanDerWaalsContact C-N 3.27Å; I36-Q38 HydrophobicContact CG2-CG 4.29Å; I36-Q38 PolarHBondContact O-N 3.3Å; Q38-R40 VanDerWaalsContact C-N 3.34Å; Q38-R40 PolarHBondContact O-N 3.27Å | ||
| 39 | S | 44.5 | Very low | 47.3 | Very low | 117 Ų | 117 | 155.4 Ų | 155.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -32.6 | 92.4 | 156.6 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | P37 R41 | P37-S39 VanDerWaalsContact C-N 3.3Å; P37-S39 PolarHBondContact O-N 3.36Å; S39-R41 PolarHBondContact O-N 3.45Å | ||
| 40 | R | 48.4 | Very low | 47.4 | Very low | 236 Ų | 236 | 159.7 Ų | 159.7 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -82.4 | 95.2 | 171.8 | -163.3 | 175.6 | -164.5 | 173.2 | 5.3 | 107.3 | Q38 Q42 | Q38-R40 VanDerWaalsContact C-N 3.34Å; Q38-R40 PolarHBondContact O-N 3.27Å; R40-Q42 PolarHBondContact O-N 2.8Å | ||
| 41 | R | 48.4 | Very low | 47.1 | Very low | 236 Ų | 236 | 162.5 Ų | 162.5 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -44.8 | 103.6 | 170.7 | -165 | 178.6 | -179.8 | -157.8 | 0.8 | 109.6 | S39 S43 | S39-R41 PolarHBondContact O-N 3.45Å; R41-S43 PolarHBondContact O-N 3.5Å | ||
| 42 | Q | 45.9 | Very low | 47.6 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 118.1 | 172.1 | -67.3 | -175 | 2 | 0 | 0 | 108 | R40 R44 | R40-Q42 PolarHBondContact O-N 2.8Å; Q42-R44 PolarHBondContact O-N 3.46Å | ||
| 43 | S | 54.5 | Low | 47.5 | Very low | 92 Ų | 92 | 152.2 Ų | 152.2 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 100.5 | 165.4 | 53.5 | 0 | 0 | 0 | 0 | 107.9 | R41 F45 | R41-S43 PolarHBondContact O-N 3.5Å; S43-F45 PolarHBondContact O-N 2.83Å | ||
| 44 | R | 46.4 | Very low | 46.9 | Very low | 230 Ų | 230 | 156.6 Ų | 156.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 83 | 167.4 | -62.7 | 179.5 | 85.8 | 117.6 | -1.3 | 107.8 | Q42 S46 | Q42-R44 PolarHBondContact O-N 3.46Å; R44-S46 PolarHBondContact O-N 2.89Å; R44-S46 VanDerWaalsContact O-N 3.09Å | ||
| 45 | F | 44.8 | Very low | 46.1 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -74.7 | 90.8 | 155.5 | -74 | -74.6 | 0 | 0 | 0 | 106.6 | S43 F47 | S43-F45 PolarHBondContact O-N 2.83Å; F45-F47 VanDerWaalsContact C-N 3.3Å; F45-F47 HydrophobicContact CB-CE2 4.42Å; F45-F47 PolarHBondContact O-N 3.18Å | ||
| 46 | S | 46.8 | Very low | 46.2 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -66.7 | 95.1 | 163.7 | 51.7 | 0 | 0 | 0 | 0 | 107.6 | R44 A48 | R44-S46 PolarHBondContact O-N 2.89Å; R44-S46 VanDerWaalsContact O-N 3.09Å; S46-A48 PolarHBondContact O-N 2.97Å | ||
| 47 | F | 48.5 | Very low | 45.9 | Very low | 194 Ų | 194 | 155.6 Ų | 155.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -67.6 | 83.5 | 148.1 | -69.4 | -81.9 | 0 | 0 | 0 | 105.7 | F45 S49 | F45-F47 VanDerWaalsContact C-N 3.3Å; F45-F47 HydrophobicContact CB-CE2 4.42Å; F45-F47 PolarHBondContact O-N 3.18Å; F47-S49 PolarHBondContact O-N 3.21Å | ||
| 48 | A | 43.2 | Very low | 46.1 | Very low | 80 Ų | 80 | 153.1 Ų | 153.1 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | -61.5 | 97 | 161.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | S46 R50 | S46-A48 PolarHBondContact O-N 2.97Å; A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.85Å | ||
| 49 | S | 50 | Low | 45.8 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -55.7 | 102.9 | 159.2 | -179.1 | 0 | 0 | 0 | 0 | 105.7 | F47 K51 | F47-S49 PolarHBondContact O-N 3.21Å; S49-K51 VanDerWaalsContact C-N 3.3Å; S49-K51 PolarHBondContact O-N 3.3Å | ||
| 50 | R | 42.7 | Very low | 46.3 | Very low | 235 Ų | 235 | 149.6 Ų | 149.6 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -61 | 101.2 | 169.7 | -85.9 | -173.5 | 173.5 | -147.8 | -0.2 | 106 | A48 S52 | A48-R50 VanDerWaalsContact C-N 3.29Å; A48-R50 PolarHBondContact O-N 2.85Å; R50-S52 VanDerWaalsContact C-N 3.28Å; R50-S52 PolarHBondContact O-N 2.86Å | ||
| 51 | K | 40.2 | Very low | 46.3 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 91.5 | 165.6 | -67 | -177 | 177.1 | -175.9 | 0 | 107.4 | S49 L53 | S49-K51 VanDerWaalsContact C-N 3.3Å; S49-K51 PolarHBondContact O-N 3.3Å; K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 HydrophobicContact CB-CG 4.39Å; K51-L53 PolarHBondContact O-N 3.02Å; K51-L53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | S | 50.6 | Low | 46.5 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -73.8 | 90.1 | 159.1 | 52.7 | 0 | 0 | 0 | 0 | 107.4 | R50 F54 | R50-S52 VanDerWaalsContact C-N 3.28Å; R50-S52 PolarHBondContact O-N 2.86Å; S52-F54 PolarHBondContact O-N 3.25Å | ||
| 53 | L | 45.5 | Very low | 46.9 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -84.2 | 57.3 | 169 | -75.3 | 166.1 | 0 | 0 | 0 | 109.6 | K51 | K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 HydrophobicContact CB-CG 4.39Å; K51-L53 PolarHBondContact O-N 3.02Å; K51-L53 VanDerWaalsContact O-N 3.1Å | ||
| 54 | F | 35.7 | Very low | 46.7 | Very low | 202 Ų | 202 | 138.4 Ų | 138.4 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | trans | -152.5 | 113.1 | 171.1 | -86.1 | -77 | 0 | 0 | 0 | 110.8 | S52 | S52-F54 PolarHBondContact O-N 3.25Š| ||
| 55 | G | 36.6 | Very low | 47 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 96.3 | 115.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 56 | G | 48.2 | Very low | 47.1 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 94.3 | 103.5 | 144 | 0 | 0 | 0 | 0 | 0 | 117.5 | G58 | G56-G58 PolarHBondContact O-N 2.92Š| ||
| 57 | H | 45.5 | Very low | 47.3 | Very low | 212 Ų | 212 | 131.7 Ų | 131.7 | 98% | 0.981 | 76% | 0.761 | S | S | * | * | trans | 16.4 | 70.6 | 146.3 | -85.4 | -83.9 | 0 | 0 | 0 | 117.5 | ||||
| 58 | G | 46 | Very low | 47.8 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | -103.2 | 103.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | G56 L60 | G56-G58 PolarHBondContact O-N 2.92Å; G58-L60 PolarHBondContact O-N 3.17Å | ||
| 59 | S | 49 | Very low | 48.8 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -49.5 | 127.6 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 113.8 | I61 | S59-I61 PolarHBondContact O-N 3.43Å; S59-I61 WeakPolarHBondContact OG-CB 3.5Å; S59-I61 PolarHBondContact OG-N 3.48Å | ||
| 60 | L | 54.6 | Low | 49.5 | Very low | 133 Ų | 133 | 135 Ų | 135 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -63.5 | -6.3 | 175.8 | -67.2 | 170.2 | 0 | 0 | 0 | 113.9 | G58 G62 M63 | G58-L60 PolarHBondContact O-N 3.17Å; L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 3.02Å; L60-M63 HydrophobicContact CD2-SD 4.15Å; L60-M63 PolarHBondContact O-N 3.23Å; L60-M63 VanDerWaalsContact O-N 3.14Å |
| 61 | I | 50.2 | Low | 51.1 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 64% | 0.641 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -65 | -27.3 | -179.2 | -90.6 | 163.6 | 0 | 0 | 0 | 113.2 | S59 M63 L64 | S59-I61 PolarHBondContact O-N 3.43Å; S59-I61 WeakPolarHBondContact OG-CB 3.5Å; S59-I61 PolarHBondContact OG-N 3.48Å; I61-M63 PolarHBondContact O-N 2.85Å; I61-L64 PolarHBondContact O-N 3.33Å |
| 62 | G | 52.3 | Low | 53 | Low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -69.1 | -18.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L60 | L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 3.02Å |
| 63 | M | 53.7 | Low | 54.5 | Low | 157 Ų | 157 | 132.6 Ų | 132.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -87.7 | -12.2 | -179.1 | -60.8 | -173.4 | 86.6 | 0 | 0 | 113.3 | L60 I61 | L60-M63 HydrophobicContact CD2-SD 4.15Å; L60-M63 PolarHBondContact O-N 3.23Å; L60-M63 VanDerWaalsContact O-N 3.14Å; I61-M63 PolarHBondContact O-N 2.85Å |
| 64 | L | 50.6 | Low | 56.1 | Low | 152 Ų | 152 | 134.4 Ų | 134.4 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -105.7 | -4.1 | -173.9 | -70.3 | 169.4 | 0 | 0 | 0 | 114.5 | I61 | I61-L64 PolarHBondContact O-N 3.33Š|
| 65 | R | 52.1 | Low | 58.3 | Low | 232 Ų | 232 | 133.4 Ų | 133.4 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -111.3 | -3.8 | -176.4 | -96.1 | -172.1 | 178.5 | -151.9 | 0.9 | 116.4 | G67 | R65-G67 PolarHBondContact O-N 3.49Š|
| 66 | G | 47.3 | Very low | 60.5 | Low | 57 Ų | 57 | 135.1 Ų | 135.1 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | trans | -85.7 | 90.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V68 | G66-V68 PolarHBondContact O-N 3.46Š| ||
| 67 | G | 51.4 | Low | 62.2 | Low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | -50.4 | 109.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | R65 N69 | R65-G67 PolarHBondContact O-N 3.49Å; G67-N69 VanDerWaalsContact C-N 3.33Å; G67-N69 PolarHBondContact O-N 3.02Å | ||
| 68 | V | 58.3 | Low | 64 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 102.5 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 105 | G66 K70 | G66-V68 PolarHBondContact O-N 3.46Å; V68-K70 HydrophobicContact CG1-CG 4.33Å; V68-K70 PolarHBondContact O-N 3.48Å | ||
| 69 | N | 63.5 | Low | 65.8 | Low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | trans | -59 | 90 | 161.7 | -86.5 | -21.7 | 0 | 0 | 0 | 105 | G67 N71 | G67-N69 VanDerWaalsContact C-N 3.33Å; G67-N69 PolarHBondContact O-N 3.02Å; N69-N71 PolarHBondContact O-N 3.02Å | ||
| 70 | K | 65.2 | Low | 67.5 | Low | 176 Ų | 176 | 136.2 Ų | 136.2 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | trans | -58.6 | 109.1 | 172.7 | -68.3 | -177.2 | -177 | 178.4 | 0 | 103.7 | V68 I72 | V68-K70 HydrophobicContact CG1-CG 4.33Å; V68-K70 PolarHBondContact O-N 3.48Å; K70-I72 PolarHBondContact O-N 2.88Å | ||
| 71 | N | 75.8 | Confident | 69 | Low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | trans | -60.1 | 94.8 | 170.8 | -74.1 | -33.5 | 0 | 0 | 0 | 106.1 | N69 K73 | N69-N71 PolarHBondContact O-N 3.02Å; N71-K73 PolarHBondContact O-N 2.83Å | ||
| 72 | I | 80.8 | Confident | 70.9 | Confident | 119 Ų | 119 | 129.2 Ų | 129.2 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | trans | -61.4 | 108.5 | 177.3 | -63.2 | 172.9 | 0 | 0 | 0 | 105.3 | K70 Y74 | K70-I72 PolarHBondContact O-N 2.88Å; I72-Y74 HydrophobicContact CB-CE2 4.09Å; I72-Y74 HydrophobicContact CG2-CD1 4.37Å; I72-Y74 HydrophobicContact CG2-CD2 4.25Å; I72-Y74 HydrophobicContact CG2-CE1 4Å; I72-Y74 HydrophobicContact CG2-CE2 3.87Å; I72-Y74 HydrophobicContact CG2-CG 4.49Å; I72-Y74 WeakPolarHBondContact O-CD2 3.3Å; I72-Y74 PolarHBondContact O-N 3.17Å | ||
| 73 | K | 82.2 | Confident | 72.6 | Confident | 199 Ų | 199 | 131.3 Ų | 131.3 | 87% | 0.865 | 66% | 0.655 | S | S | * | * | trans | -81.4 | 98.1 | 176.6 | -172.7 | -179.4 | 178.2 | -173.1 | 0 | 107.1 | N71 | N71-K73 PolarHBondContact O-N 2.83Š| ||
| 74 | Y | 79.5 | Confident | 74.1 | Confident | 182 Ų | 182 | 129.3 Ų | 129.3 | 71% | 0.714 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.3 | 170.1 | -63.5 | -83.4 | 0 | 0 | 0 | 110 | I72 | I72-Y74 HydrophobicContact CB-CE2 4.09Å; I72-Y74 HydrophobicContact CG2-CD1 4.37Å; I72-Y74 HydrophobicContact CG2-CD2 4.25Å; I72-Y74 HydrophobicContact CG2-CE1 4Å; I72-Y74 HydrophobicContact CG2-CE2 3.87Å; I72-Y74 HydrophobicContact CG2-CG 4.49Å; I72-Y74 WeakPolarHBondContact O-CD2 3.3Å; I72-Y74 PolarHBondContact O-N 3.17Å |
| 75 | E | 82.3 | Confident | 75.8 | Confident | 181 Ų | 181 | 128.5 Ų | 128.5 | 85% | 0.846 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.5 | 169.3 | -64.1 | -172.1 | 160.3 | 0 | 0 | 110.2 | T77 | E75-T77 PolarHBondContact O-N 3.45Š|
| 76 | N | 82.5 | Confident | 77.5 | Confident | 118 Ų | 118 | 120.4 Ų | 120.4 | 63% | 0.631 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123.5 | 176.3 | -71.5 | -4.1 | 0 | 0 | 0 | 109.2 | Y78 | N76-Y78 HydrophobicContact CB-CE2 4.16Å; N76-Y78 WeakPolarHBondContact O-CD2 3.23Å; N76-Y78 PolarHBondContact O-N 2.89Å; N76-Y78 VanDerWaalsContact O-N 3.12Å |
| 77 | T | 83.2 | Confident | 79.5 | Confident | 98 Ų | 98 | 123.1 Ų | 123.1 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | trans | -80.7 | 91.3 | 167.8 | -50.3 | 0 | 0 | 0 | 0 | 107.8 | E75 R79 | E75-T77 PolarHBondContact O-N 3.45Å; T77-R79 HydrophobicContact CG2-CG 3.8Å; T77-R79 WeakPolarHBondContact O-CG 3.26Å; T77-R79 PolarHBondContact O-N 2.9Å | ||
| 78 | Y | 83.4 | Confident | 81.4 | Confident | 177 Ų | 177 | 120.4 Ų | 120.4 | 69% | 0.694 | 58% | 0.584 | S | S | * | * | trans | -59.3 | 104.3 | 177.1 | -63.4 | -85.6 | 0 | 0 | 0 | 109.7 | N76 E193 | N76-Y78 HydrophobicContact CB-CE2 4.16Å; N76-Y78 WeakPolarHBondContact O-CD2 3.23Å; N76-Y78 PolarHBondContact O-N 2.89Å; N76-Y78 VanDerWaalsContact O-N 3.12Å; Y78-E193 VanDerWaalsContact CD1-OE1 3.25Å; Y78-E193 WeakPolarHBondContact CD1-OE1 3.49Å | ||
| 79 | R | 84 | Confident | 83 | Confident | 67 Ų | 67 | 121.7 Ų | 121.7 | 25% | 0.253 | 58% | 0.579 | S | S | . | * | trans | -138.8 | 125.7 | 169.1 | -16.9 | -174.9 | -60.5 | -131.4 | 5.9 | 109.1 | T77 E86 R138 Y191 | T77-R79 HydrophobicContact CG2-CG 3.8Å; T77-R79 WeakPolarHBondContact O-CG 3.26Å; T77-R79 PolarHBondContact O-N 2.9Å; R79-E86 IonicContact CZ-OE1 3.02Å; R79-E86 IonicContact CZ-OE2 3.78Å; R79-E86 IonicContact NH1-OE1 3.94Å; R79-E86 IonicContact NH2-OE1 3.65Å; R79-E86 PolarHBondContact NH2-OE1 3.38Å; R79-E86 IonicContact NH2-OE2 3.92Å; R79-E86 PolarHBondContact NH2-OE2 2.88Å; R79-R138 VanDerWaalsContact NE-NH1 3.18Å; R79-R138 VanDerWaalsContact NH2-NE 3.16Å; R79-R138 PolarHBondContact O-NH1 2.86Å; R79-R138 VanDerWaalsContact O-NH1 3.14Å; R79-Y191 PolarHBondContact O-OH 3.05Å | ||
| 80 | I | 85 | Confident | 84.4 | Confident | 120 Ų | 120 | 119.3 Ų | 119.3 | 62% | 0.615 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -87.9 | -11.3 | -175.4 | -30.6 | -178.2 | 0 | 0 | 0 | 111.6 | M167 Y191 | I80-M167 HydrophobicContact CB-CE 4.1Å; I80-M167 HydrophobicContact CG2-CE 3.32Å; I80-M167 WeakPolarHBondContact O-CE 3.43Å; I80-Y191 WeakPolarHBondContact O-CE1 3.45Å |
| 81 | Q | 86.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 118.4 Ų | 118.4 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -130.9 | 148.2 | -179.9 | -73 | 177.3 | 14.8 | 0 | 0 | 112.6 | R138 M167 Y191 | Q81-R138 PolarHBondContact O-NH2 2.85Å; Q81-M167 HydrophobicContact CG-CE 4.32Å; Q81-M167 HydrophobicContact CG-SD 3.3Å; Q81-M167 WeakPolarHBondContact CG-SD 3.28Å; Q81-Y191 VanDerWaalsContact C-OH 3.23Å; Q81-Y191 PolarHBondContact N-OH 2.85Å; Q81-Y191 PolarHBondContact O-OH 2.94Å; Q81-Y191 VanDerWaalsContact O-OH 3.08Å |
| 82 | P | 88.8 | Confident | 86.7 | Confident | 8 Ų | 8 | 114.4 Ų | 114.4 | 5% | 0.052 | 54% | 0.536 | C | S | . | . | trans | -71.4 | 146.4 | 169.8 | 30.2 | -34.2 | 0 | 0 | 0 | 110 | E86 R87 Y139 M167 Y191 | P82-E86 HydrophobicContact CB-CB 4.26Å; P82-R87 HydrophobicContact CB-CG 4.16Å; P82-R87 HydrophobicContact CG-CG 3.77Å; P82-Y139 HydrophobicContact CB-CE2 4.27Å; P82-Y139 WeakPolarHBondContact CB-OH 3.32Å; P82-Y139 WeakPolarHBondContact CG-OH 3.3Å; P82-M167 WeakPolarHBondContact CD-O 2.99Å; P82-M167 VanDerWaalsContact CG-O 3.28Å; P82-M167 WeakPolarHBondContact CG-O 3.45Å; P82-Y191 HydrophobicContact CB-CD2 3.91Å; P82-Y191 HydrophobicContact CB-CE2 3.76Å; P82-Y191 HydrophobicContact CG-CD2 4.1Å; P82-Y191 HydrophobicContact CG-CE2 4.24Å | ||
| 83 | K | 87.7 | Confident | 87.4 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 47% | 0.474 | 51% | 0.507 | S | S | . | . | trans | -65.2 | 154.6 | 168.2 | -65.6 | 179.5 | -179.7 | -179.9 | 0 | 109.3 | N85 E86 R87 | K83-N85 WeakPolarHBondContact CB-OD1 2.93Å; K83-N85 PolarHBondContact O-N 3.41Å; K83-E86 HydrophobicContact CB-CB 4.48Å; K83-E86 HydrophobicContact CB-CG 4.1Å; K83-E86 PolarHBondContact N-OE2 3.46Å; K83-E86 VanDerWaalsContact N-OE2 3.12Å; K83-E86 PolarHBondContact O-N 2.88Å; K83-R87 PolarHBondContact O-N 3.32Å | ||
| 84 | P | 86.1 | Confident | 88.2 | Confident | 116 Ų | 116 | 105 Ų | 105 | 75% | 0.753 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -54.5 | -31.9 | -179.1 | -28.4 | 35.5 | 0 | 0 | 0 | 114.4 | ||
| 85 | N | 86.7 | Confident | 89 | Confident | 135 Ų | 135 | 100.3 Ų | 100.3 | 72% | 0.722 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -79.8 | -15.5 | 176.9 | 64.6 | -27.5 | 0 | 0 | 0 | 114.5 | K83 | K83-N85 WeakPolarHBondContact CB-OD1 2.93Å; K83-N85 PolarHBondContact O-N 3.41Å |
| 86 | E | 87.6 | Confident | 89.7 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -96.2 | -3.4 | 178.3 | -64.5 | 170.8 | 175.1 | 0 | 0 | 112.3 | R79 P82 K83 I88 R138 Y139 | R79-E86 IonicContact CZ-OE1 3.02Å; R79-E86 IonicContact CZ-OE2 3.78Å; R79-E86 IonicContact NH1-OE1 3.94Å; R79-E86 IonicContact NH2-OE1 3.65Å; R79-E86 PolarHBondContact NH2-OE1 3.38Å; R79-E86 IonicContact NH2-OE2 3.92Å; R79-E86 PolarHBondContact NH2-OE2 2.88Å; P82-E86 HydrophobicContact CB-CB 4.26Å; K83-E86 HydrophobicContact CB-CB 4.48Å; K83-E86 HydrophobicContact CB-CG 4.1Å; K83-E86 PolarHBondContact N-OE2 3.46Å; K83-E86 VanDerWaalsContact N-OE2 3.12Å; K83-E86 PolarHBondContact O-N 2.88Å; E86-I88 PolarHBondContact O-N 2.95Å; E86-R138 IonicContact OE2-NH2 3.59Å; E86-Y139 WeakPolarHBondContact O-CE2 3.38Å; E86-Y139 PolarHBondContact O-OH 3.49Å |
| 87 | R | 89.1 | Confident | 90.4 | Very high | 114 Ų | 114 | 87.3 Ų | 87.3 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -69.7 | 129.8 | 177.5 | -76 | -175.5 | 170 | 169.6 | -3.6 | 110.5 | P82 K83 K89 E166 | P82-R87 HydrophobicContact CB-CG 4.16Å; P82-R87 HydrophobicContact CG-CG 3.77Å; K83-R87 PolarHBondContact O-N 3.32Å; R87-K89 PolarHBondContact O-N 3.23Å; R87-E166 PolarHBondContact NH2-O 2.91Å |
| 88 | I | 91.3 | Very high | 91.1 | Very high | 14 Ų | 14 | 85.3 Ų | 85.3 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 126.5 | -177.5 | -61 | -178.7 | 0 | 0 | 0 | 109.3 | E86 L93 Y139 F141 T170 A189 | E86-I88 PolarHBondContact O-N 2.95Å; I88-L93 HydrophobicContact CG2-CD1 3.65Å; I88-L93 HydrophobicContact CG2-CD2 3.9Å; I88-L93 HydrophobicContact CG2-CG 3.63Å; I88-Y139 HydrophobicContact CD1-CD1 3.65Å; I88-Y139 HydrophobicContact CD1-CD2 3.88Å; I88-Y139 HydrophobicContact CD1-CE1 3.94Å; I88-Y139 HydrophobicContact CD1-CE2 4.12Å; I88-Y139 HydrophobicContact CD1-CG 3.58Å; I88-Y139 HydrophobicContact CG1-CD1 4.35Å; I88-Y139 HydrophobicContact CG1-CD2 4.32Å; I88-Y139 HydrophobicContact CG1-CE1 4.15Å; I88-Y139 HydrophobicContact CG1-CE2 4.07Å; I88-Y139 HydrophobicContact CG1-CG 4.41Å; I88-F141 HydrophobicContact CD1-CE1 3.47Å; I88-F141 VanDerWaalsContact CD1-CE1 3.47Å; I88-F141 HydrophobicContact CD1-CZ 3.6Å; I88-T170 HydrophobicContact CB-CG2 4.06Å; I88-T170 HydrophobicContact CG2-CG2 4.13Å; I88-A189 HydrophobicContact CD1-CB 3.94Å |
| 89 | K | 91.8 | Very high | 91.8 | Very high | 150 Ų | 150 | 81.3 Ų | 81.3 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 123.1 | 177.8 | -62.5 | 178.3 | -176.7 | 176.1 | 0 | 109.4 | R87 K91 Q92 L93 | R87-K89 PolarHBondContact O-N 3.23Å; K89-K91 PolarHBondContact O-N 3.12Å; K89-Q92 HydrophobicContact CB-CB 4.21Å; K89-Q92 WeakPolarHBondContact O-CB 3.37Å; K89-Q92 PolarHBondContact O-N 3.2Å; K89-L93 PolarHBondContact O-N 3.15Å |
| 90 | Q | 93.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 78.7 Ų | 78.7 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -50.1 | -43.8 | 175.5 | -73 | 178.2 | -16 | 0 | 0 | 112.8 | Q92 L93 R94 T170 Y171 | Q90-Q92 VanDerWaalsContact C-N 3.28Å; Q90-Q92 PolarHBondContact O-N 3Å; Q90-L93 PolarHBondContact O-N 3.41Å; Q90-L93 VanDerWaalsContact O-N 3.15Å; Q90-R94 PolarHBondContact O-N 3.5Å; Q90-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q90-T170 PolarHBondContact NE2-OG1 3.37Å; Q90-T170 VanDerWaalsContact NE2-OG1 3.12Å; Q90-Y171 WeakPolarHBondContact CG-O 3.5Å |
| 91 | K | 95.1 | Very high | 93 | Very high | 157 Ų | 157 | 73 Ų | 73 | 68% | 0.683 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.1 | -38.5 | 177.6 | -173.7 | 174.4 | -179 | 175.2 | 0 | 112.9 | K89 R94 N95 | K89-K91 PolarHBondContact O-N 3.12Å; K91-R94 PolarHBondContact O-N 2.86Å; K91-N95 WeakPolarHBondContact O-CB 3.05Å; K91-N95 PolarHBondContact O-N 3.21Å; K91-N95 PolarHBondContact O-OD1 3.3Å |
| 92 | Q | 94.3 | Very high | 93.4 | Very high | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.1 | -176.9 | -178.8 | -14.4 | 0 | 0 | 110.9 | K89 Q90 L96 | K89-Q92 HydrophobicContact CB-CB 4.21Å; K89-Q92 WeakPolarHBondContact O-CB 3.37Å; K89-Q92 PolarHBondContact O-N 3.2Å; Q90-Q92 VanDerWaalsContact C-N 3.28Å; Q90-Q92 PolarHBondContact O-N 3Å; Q92-L96 WeakPolarHBondContact O-CB 3.44Å; Q92-L96 PolarHBondContact O-N 2.92Å |
| 93 | L | 95.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 175 | -63.5 | -178.8 | 0 | 0 | 0 | 111.9 | I88 K89 Q90 N95 L96 I97 V130 T170 A172 I187 A189 | I88-L93 HydrophobicContact CG2-CD1 3.65Å; I88-L93 HydrophobicContact CG2-CD2 3.9Å; I88-L93 HydrophobicContact CG2-CG 3.63Å; K89-L93 PolarHBondContact O-N 3.15Å; Q90-L93 PolarHBondContact O-N 3.41Å; Q90-L93 VanDerWaalsContact O-N 3.15Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 2.97Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.38Å; L93-I97 PolarHBondContact O-N 3.31Å; L93-V130 HydrophobicContact CD2-CG1 3.98Å; L93-V130 HydrophobicContact CD2-CG2 4.12Å; L93-T170 HydrophobicContact CD1-CG2 4.17Å; L93-A172 HydrophobicContact CB-CB 3.52Å; L93-A172 HydrophobicContact CD1-CB 4.32Å; L93-I187 HydrophobicContact CD1-CG2 4.47Å; L93-A189 HydrophobicContact CD1-CB 4.31Å |
| 94 | R | 97.2 | Very high | 94.1 | Very high | 119 Ų | 119 | 75.1 Ų | 75.1 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57 | -48.2 | 177.1 | -177 | 177.1 | 178.2 | -176.6 | 4.6 | 111.1 | D10 Q90 K91 L96 I97 Q98 A172 A174 | D10-R94 IonicContact OD2-CZ 3.75Å; D10-R94 IonicContact OD2-NH1 3.46Å; D10-R94 IonicContact OD2-NH2 2.62Å; D10-R94 PolarHBondContact OD2-NH2 3.28Å; Q90-R94 PolarHBondContact O-N 3.5Å; K91-R94 PolarHBondContact O-N 2.86Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-L96 PolarHBondContact O-N 2.99Å; R94-I97 PolarHBondContact O-N 3.45Å; R94-Q98 WeakPolarHBondContact O-CB 3.45Å; R94-Q98 PolarHBondContact O-N 3.04Å; R94-A172 HydrophobicContact CB-CB 4.4Å; R94-A174 HydrophobicContact CG-CB 4.44Å |
| 95 | N | 97.2 | Very high | 94.6 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 177.7 | -72.1 | -2 | 0 | 0 | 0 | 111.8 | K91 L93 I97 Q98 T99 | K91-N95 WeakPolarHBondContact O-CB 3.05Å; K91-N95 PolarHBondContact O-N 3.21Å; K91-N95 PolarHBondContact O-OD1 3.3Å; L93-N95 VanDerWaalsContact C-N 3.35Å; L93-N95 PolarHBondContact O-N 2.97Å; N95-I97 PolarHBondContact O-N 3.43Å; N95-Q98 PolarHBondContact O-N 3.5Å; N95-T99 WeakPolarHBondContact O-CB 3.13Å; N95-T99 PolarHBondContact O-N 3.47Å; N95-T99 PolarHBondContact O-OG1 3.45Å |
| 96 | L | 96.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.5 | -177.2 | 68 | 0 | 0 | 0 | 112.2 | Q92 L93 R94 T100 N129 V130 L133 | Q92-L96 WeakPolarHBondContact O-CB 3.44Å; Q92-L96 PolarHBondContact O-N 2.92Å; L93-L96 WeakPolarHBondContact O-CB 3.29Å; L93-L96 PolarHBondContact O-N 3.49Å; R94-L96 VanDerWaalsContact C-N 3.34Å; R94-L96 PolarHBondContact O-N 2.99Å; L96-T100 WeakPolarHBondContact O-CB 3.43Å; L96-T100 PolarHBondContact O-N 3.04Å; L96-T100 PolarHBondContact O-OG1 2.93Å; L96-N129 HydrophobicContact CD1-CB 3.99Å; L96-N129 HydrophobicContact CD2-CB 4.12Å; L96-N129 HydrophobicContact CG-CB 4.43Å; L96-V130 HydrophobicContact CD2-CB 4.14Å; L96-V130 HydrophobicContact CD2-CG2 3.25Å; L96-L133 HydrophobicContact CB-CD1 4.49Å; L96-L133 HydrophobicContact CD1-CD1 3.51Å; L96-L133 HydrophobicContact CD2-CD1 3.77Å; L96-L133 HydrophobicContact CG-CD1 4.1Å |
| 97 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -50.7 | 177.8 | -61.7 | 159.6 | 0 | 0 | 0 | 109.1 | L93 R94 N95 T99 T100 L101 L126 A172 A174 I187 | L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.38Å; L93-I97 PolarHBondContact O-N 3.31Å; R94-I97 PolarHBondContact O-N 3.45Å; N95-I97 PolarHBondContact O-N 3.43Å; I97-T99 PolarHBondContact O-N 3Å; I97-T100 PolarHBondContact O-N 3.31Å; I97-L101 HydrophobicContact CG2-CD1 3.76Å; I97-L101 HydrophobicContact CG2-CG 4.2Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.86Å; I97-L126 HydrophobicContact CB-CD2 4.48Å; I97-L126 HydrophobicContact CG1-CD2 4.3Å; I97-A172 HydrophobicContact CD1-CB 4.13Å; I97-A174 HydrophobicContact CB-CB 3.95Å; I97-A174 HydrophobicContact CG2-CB 3.65Å; I97-I187 HydrophobicContact CD1-CB 4.12Å; I97-I187 HydrophobicContact CD1-CD1 3.82Å; I97-I187 HydrophobicContact CD1-CG1 3.67Å; I97-I187 HydrophobicContact CG1-CD1 3.47Å; I97-I187 VanDerWaalsContact CG1-CD1 3.47Å; I97-I187 HydrophobicContact CG1-CG1 3.84Å |
| 98 | Q | 97.4 | Very high | 95.4 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.7 | -53.3 | -179.2 | -168.9 | 66 | 44.8 | 0 | 0 | 111.6 | R94 N95 T100 L101 D102 A174 I175 | R94-Q98 WeakPolarHBondContact O-CB 3.45Å; R94-Q98 PolarHBondContact O-N 3.04Å; N95-Q98 PolarHBondContact O-N 3.5Å; Q98-T100 VanDerWaalsContact C-N 3.31Å; Q98-T100 PolarHBondContact O-N 3.32Å; Q98-L101 PolarHBondContact O-N 3.24Å; Q98-D102 PolarHBondContact NE2-OD1 3.34Å; Q98-D102 PolarHBondContact NE2-OD2 2.92Å; Q98-D102 WeakPolarHBondContact O-CB 3.17Å; Q98-D102 PolarHBondContact O-N 3.31Å; Q98-A174 HydrophobicContact CB-CB 4.36Å; Q98-I175 PolarHBondContact OE1-O 2.89Å |
| 99 | T | 97.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 73.6 Ų | 73.6 | 56% | 0.564 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.9 | -38.8 | -179.6 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | N95 I97 H103 | N95-T99 WeakPolarHBondContact O-CB 3.13Å; N95-T99 PolarHBondContact O-N 3.47Å; N95-T99 PolarHBondContact O-OG1 3.45Å; I97-T99 PolarHBondContact O-N 3Å; T99-H103 WeakPolarHBondContact O-CB 3.36Å; T99-H103 PolarHBondContact O-N 3.19Å |
| 100 | T | 97 | Very high | 95.7 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | L96 I97 Q98 T104 L122 L126 | L96-T100 WeakPolarHBondContact O-CB 3.43Å; L96-T100 PolarHBondContact O-N 3.04Å; L96-T100 PolarHBondContact O-OG1 2.93Å; I97-T100 PolarHBondContact O-N 3.31Å; Q98-T100 VanDerWaalsContact C-N 3.31Å; Q98-T100 PolarHBondContact O-N 3.32Å; T100-T104 WeakPolarHBondContact O-CB 3.24Å; T100-T104 PolarHBondContact O-N 3.47Å; T100-T104 VanDerWaalsContact O-N 3.11Å; T100-T104 PolarHBondContact O-OG1 3.35Å; T100-L122 HydrophobicContact CG2-CD2 4.36Å; T100-L126 HydrophobicContact CG2-CD2 3.85Å; T100-L126 HydrophobicContact CG2-CG 4.2Å |
| 101 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 177.4 | -67.7 | 177.9 | 0 | 0 | 0 | 111.1 | I97 Q98 H103 T104 L105 L122 F176 A183 | I97-L101 HydrophobicContact CG2-CD1 3.76Å; I97-L101 HydrophobicContact CG2-CG 4.2Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.41Å; I97-L101 PolarHBondContact O-N 2.86Å; Q98-L101 PolarHBondContact O-N 3.24Å; L101-H103 PolarHBondContact O-N 3.11Å; L101-T104 PolarHBondContact O-N 2.94Å; L101-L105 HydrophobicContact CB-CD1 4.43Å; L101-L105 HydrophobicContact CD2-CD1 3.99Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 PolarHBondContact O-N 2.73Å; L101-L122 HydrophobicContact CD2-CD1 3.93Å; L101-L122 HydrophobicContact CD2-CD2 4.28Å; L101-F176 HydrophobicContact CB-CB 3.77Å; L101-F176 HydrophobicContact CB-CG 4.31Å; L101-F176 HydrophobicContact CD1-CB 4.07Å; L101-F176 HydrophobicContact CG-CB 4.5Å; L101-A183 HydrophobicContact CD2-CB 4.11Å |
| 102 | D | 96.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 178.5 | -68.3 | -18.3 | 0 | 0 | 0 | 110.8 | Q98 T104 K106 F176 | Q98-D102 PolarHBondContact NE2-OD1 3.34Å; Q98-D102 PolarHBondContact NE2-OD2 2.92Å; Q98-D102 WeakPolarHBondContact O-CB 3.17Å; Q98-D102 PolarHBondContact O-N 3.31Å; D102-T104 PolarHBondContact O-N 3.02Å; D102-K106 VanDerWaalsContact O-CB 3.24Å; D102-K106 WeakPolarHBondContact O-CB 3.5Å; D102-K106 PolarHBondContact O-N 3.29Å; D102-K106 VanDerWaalsContact O-N 3.17Å; D102-F176 WeakPolarHBondContact OD1-CD2 3.34Å |
| 103 | H | 95.8 | Very high | 95.5 | Very high | 163 Ų | 163 | 69.4 Ų | 69.4 | 76% | 0.755 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.2 | -39.6 | -177.1 | -179.1 | -86.1 | 0 | 0 | 0 | 112.7 | T99 L101 | T99-H103 WeakPolarHBondContact O-CB 3.36Å; T99-H103 PolarHBondContact O-N 3.19Å; L101-H103 PolarHBondContact O-N 3.11Å |
| 104 | T | 94.9 | Very high | 95.4 | Very high | 42 Ų | 42 | 74.3 Ų | 74.3 | 26% | 0.258 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -83.4 | -32.4 | -176.3 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | T100 L101 D102 V108 L122 M125 | T100-T104 WeakPolarHBondContact O-CB 3.24Å; T100-T104 PolarHBondContact O-N 3.47Å; T100-T104 VanDerWaalsContact O-N 3.11Å; T100-T104 PolarHBondContact O-OG1 3.35Å; L101-T104 PolarHBondContact O-N 2.94Å; D102-T104 PolarHBondContact O-N 3.02Å; T104-V108 WeakPolarHBondContact O-CG2 3.48Å; T104-L122 HydrophobicContact CG2-CD2 3.73Å; T104-L122 HydrophobicContact CG2-CG 4.36Å; T104-M125 HydrophobicContact CG2-CE 4.15Å |
| 105 | L | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -105.3 | -8.5 | -169.2 | -63 | 175.4 | 0 | 0 | 0 | 114.9 | L101 D107 V108 L118 L122 F176 I181 A183 | L101-L105 HydrophobicContact CB-CD1 4.43Å; L101-L105 HydrophobicContact CD2-CD1 3.99Å; L101-L105 VanDerWaalsContact O-CB 3.23Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 PolarHBondContact O-N 2.73Å; L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 2.97Å; L105-V108 HydrophobicContact CD2-CB 4.42Å; L105-V108 PolarHBondContact O-N 2.79Å; L105-L118 HydrophobicContact CD2-CD1 4.25Å; L105-L118 HydrophobicContact CD2-CD2 3.43Å; L105-L118 VanDerWaalsContact CD2-CD2 3.43Å; L105-L122 HydrophobicContact CD1-CD1 4.08Å; L105-L122 HydrophobicContact CD2-CD1 4.19Å; L105-L122 HydrophobicContact CG-CD1 4.26Å; L105-F176 HydrophobicContact CB-CD1 3.57Å; L105-F176 HydrophobicContact CB-CE1 3.26Å; L105-F176 HydrophobicContact CB-CG 4.37Å; L105-F176 HydrophobicContact CB-CZ 3.83Å; L105-F176 HydrophobicContact CD1-CD1 3.63Å; L105-F176 HydrophobicContact CD1-CE1 4.2Å; L105-F176 HydrophobicContact CD1-CG 4.27Å; L105-F176 HydrophobicContact CG-CD1 4.27Å; L105-F176 HydrophobicContact CG-CE1 4.38Å; L105-I181 HydrophobicContact CD2-CD1 4.14Å; L105-A183 HydrophobicContact CD1-CB 3.32Å |
| 106 | K | 93.6 | Very high | 95.1 | Very high | 137 Ų | 137 | 74.6 Ų | 74.6 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | -45.5 | -177.3 | -174.7 | 177.8 | 179 | -174 | 0 | 113.6 | D102 N178 | D102-K106 VanDerWaalsContact O-CB 3.24Å; D102-K106 WeakPolarHBondContact O-CB 3.5Å; D102-K106 PolarHBondContact O-N 3.29Å; D102-K106 VanDerWaalsContact O-N 3.17Å; K106-N178 PolarHBondContact O-ND2 3.28Å |
| 107 | D | 93 | Very high | 95.1 | Very high | 143 Ų | 143 | 76.9 Ų | 76.9 | 77% | 0.765 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 17.2 | -174.1 | -56.8 | -50.3 | 0 | 0 | 0 | 113.1 | L105 | L105-D107 VanDerWaalsContact C-N 3.27Å; L105-D107 PolarHBondContact O-N 2.97Å |
| 108 | V | 94 | Very high | 95 | Very high | 34 Ų | 34 | 78.4 Ų | 78.4 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 133.3 | -176.5 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | T104 L105 L118 I181 | T104-V108 WeakPolarHBondContact O-CG2 3.48Å; L105-V108 HydrophobicContact CD2-CB 4.42Å; L105-V108 PolarHBondContact O-N 2.79Å; V108-L118 HydrophobicContact CG1-CD1 3.78Å; V108-I181 HydrophobicContact CG1-CD1 4.25Å; V108-I181 WeakPolarHBondContact O-CG2 3.43Å |
| 109 | N | 94 | Very high | 94.9 | Very high | 93 Ų | 93 | 77.1 Ų | 77.1 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 142.2 | 169.5 | -58.5 | -25.9 | 0 | 0 | 0 | 109.7 | E111 K180 | N109-E111 PolarHBondContact O-N 3.37Å; N109-K180 HydrophobicContact CB-CD 4.17Å; N109-K180 WeakPolarHBondContact OD1-CD 3.42Å; N109-K180 WeakPolarHBondContact OD1-CE 3.3Å; N109-K180 PolarHBondContact OD1-NZ 2.95Å |
| 110 | Y | 94.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 77.4 Ų | 77.4 | 31% | 0.314 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -70 | 121.4 | 175.9 | 179.4 | -96.5 | 0 | 0 | 0 | 111.2 | P112 A115 I147 K180 I181 | Y110-P112 HydrophobicContact CE1-CG 3.88Å; Y110-A115 HydrophobicContact CD2-CB 4.31Å; Y110-A115 HydrophobicContact CE2-CB 3.75Å; Y110-I147 HydrophobicContact CD2-CG2 4.14Å; Y110-I147 HydrophobicContact CE2-CG2 4.2Å; Y110-K180 WeakPolarHBondContact CB-O 3.4Å; Y110-I181 HydrophobicContact CD2-CD1 4.23Å; Y110-I181 HydrophobicContact CD2-CG1 4.26Å |
| 111 | E | 94.5 | Very high | 94.9 | Very high | 81 Ų | 81 | 80.7 Ų | 80.7 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | trans | -127 | 125 | 167.3 | -171.8 | -171.9 | 149.2 | 0 | 0 | 108.8 | N109 L113 Q114 A115 | N109-E111 PolarHBondContact O-N 3.37Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.06Å; E111-Q114 HydrophobicContact CB-CB 4.16Å; E111-Q114 HydrophobicContact CB-CG 4.12Å; E111-Q114 HydrophobicContact CG-CG 4.31Å; E111-Q114 PolarHBondContact O-N 2.88Å; E111-Q114 VanDerWaalsContact O-N 3.14Å; E111-Q114 WeakPolarHBondContact OE2-CG 3.29Å; E111-Q114 PolarHBondContact OE2-NE2 2.89Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 2.78Å | ||
| 112 | P | 92.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 80.7 Ų | 80.7 | 58% | 0.578 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55.5 | -39.2 | -174.8 | -27.3 | 33.3 | 0 | 0 | 0 | 114.5 | Y110 | Y110-P112 HydrophobicContact CE1-CG 3.88Å |
| 113 | L | 93.4 | Very high | 95 | Very high | 143 Ų | 143 | 78.8 Ų | 78.8 | 75% | 0.749 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.5 | -39.9 | -179.5 | -64.6 | 177.6 | 0 | 0 | 0 | 111.8 | E111 | E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.06Å |
| 114 | Q | 94.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 75.3 Ų | 75.3 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -76 | -31.2 | 178.1 | -59.8 | -169.8 | 17.9 | 0 | 0 | 112.3 | E111 R116 V117 L118 | E111-Q114 HydrophobicContact CB-CB 4.16Å; E111-Q114 HydrophobicContact CB-CG 4.12Å; E111-Q114 HydrophobicContact CG-CG 4.31Å; E111-Q114 PolarHBondContact O-N 2.88Å; E111-Q114 VanDerWaalsContact O-N 3.14Å; E111-Q114 WeakPolarHBondContact OE2-CG 3.29Å; E111-Q114 PolarHBondContact OE2-NE2 2.89Å; Q114-R116 PolarHBondContact O-N 3.4Å; Q114-R116 VanDerWaalsContact O-N 3.17Å; Q114-V117 PolarHBondContact O-N 2.89Å; Q114-L118 WeakPolarHBondContact O-CB 3.23Å; Q114-L118 PolarHBondContact O-N 3.42Å |
| 115 | A | 93.7 | Very high | 95.2 | Very high | 11 Ų | 11 | 76.6 Ų | 76.6 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.9 | -36.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y110 E111 L118 S119 I147 | Y110-A115 HydrophobicContact CD2-CB 4.31Å; Y110-A115 HydrophobicContact CE2-CB 3.75Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 2.78Å; A115-L118 PolarHBondContact O-N 3.42Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.27Å; A115-S119 PolarHBondContact O-OG 3.47Å; A115-I147 HydrophobicContact CB-CG2 4.32Å |
| 116 | R | 94.4 | Very high | 95.3 | Very high | 197 Ų | 197 | 76.6 Ų | 76.6 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 175.6 | 178.4 | -177.7 | 170.6 | -141.8 | -1.8 | 112.5 | Q114 S119 M120 | Q114-R116 PolarHBondContact O-N 3.4Å; Q114-R116 VanDerWaalsContact O-N 3.17Å; R116-S119 PolarHBondContact O-OG 3.31Å; R116-M120 PolarHBondContact O-N 2.96Å |
| 117 | V | 95.9 | Very high | 95.4 | Very high | 75 Ų | 75 | 77.3 Ų | 77.3 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.8 | -41 | 179 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | Q114 M120 N121 | Q114-V117 PolarHBondContact O-N 2.89Å; V117-M120 PolarHBondContact O-N 2.96Å; V117-N121 WeakPolarHBondContact O-CB 3.43Å; V117-N121 VanDerWaalsContact O-CG 3.25Å; V117-N121 PolarHBondContact O-N 3.06Å; V117-N121 PolarHBondContact O-ND2 3.29Å |
| 118 | L | 96 | Very high | 95.5 | Very high | 31 Ų | 31 | 76.7 Ų | 76.7 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | -179.2 | -157.5 | 153.6 | 0 | 0 | 0 | 111.9 | L105 V108 Q114 A115 M120 N121 L122 I147 | L105-L118 HydrophobicContact CD2-CD1 4.25Å; L105-L118 HydrophobicContact CD2-CD2 3.43Å; L105-L118 VanDerWaalsContact CD2-CD2 3.43Å; V108-L118 HydrophobicContact CG1-CD1 3.78Å; Q114-L118 WeakPolarHBondContact O-CB 3.23Å; Q114-L118 PolarHBondContact O-N 3.42Å; A115-L118 PolarHBondContact O-N 3.42Å; L118-M120 PolarHBondContact O-N 2.87Å; L118-N121 PolarHBondContact O-N 2.94Å; L118-L122 HydrophobicContact CD2-CD1 3.42Å; L118-L122 VanDerWaalsContact CD2-CD1 3.42Å; L118-L122 HydrophobicContact CD2-CG 3.87Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.37Å; L118-I147 HydrophobicContact CB-CD1 4.13Å; L118-I147 HydrophobicContact CD2-CD1 3.39Å; L118-I147 HydrophobicContact CG-CD1 4.35Å |
| 119 | S | 96.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 77.3 Ų | 77.3 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.5 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | A115 R116 A123 | A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.27Å; A115-S119 PolarHBondContact O-OG 3.47Å; R116-S119 PolarHBondContact O-OG 3.31Å; S119-A123 WeakPolarHBondContact O-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.44Å |
| 120 | M | 96.8 | Very high | 95.6 | Very high | 99 Ų | 99 | 72.9 Ų | 72.9 | 49% | 0.488 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 175.3 | 179.7 | 168 | 43.4 | 0 | 0 | 112.1 | R116 V117 L118 A123 N124 | R116-M120 PolarHBondContact O-N 2.96Å; V117-M120 PolarHBondContact O-N 2.96Å; L118-M120 PolarHBondContact O-N 2.87Å; M120-A123 PolarHBondContact O-N 3.2Å; M120-N124 WeakPolarHBondContact O-CB 3.16Å; M120-N124 PolarHBondContact O-N 2.8Å; M120-N124 PolarHBondContact O-ND2 3.36Å |
| 121 | N | 96.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 77.5 Ų | 77.5 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 176.8 | -73 | -13.4 | 0 | 0 | 0 | 111.5 | V117 L118 A123 N124 M125 | V117-N121 WeakPolarHBondContact O-CB 3.43Å; V117-N121 VanDerWaalsContact O-CG 3.25Å; V117-N121 PolarHBondContact O-N 3.06Å; V117-N121 PolarHBondContact O-ND2 3.29Å; L118-N121 PolarHBondContact O-N 2.94Å; N121-A123 PolarHBondContact O-N 3.11Å; N121-N124 PolarHBondContact O-N 3.27Å; N121-M125 WeakPolarHBondContact O-CG 3.36Å; N121-M125 PolarHBondContact O-N 2.89Å |
| 122 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 174.3 | -82.1 | 176.8 | 0 | 0 | 0 | 111.9 | T100 L101 T104 L105 L118 N124 M125 L126 V145 I147 | T100-L122 HydrophobicContact CG2-CD2 4.36Å; L101-L122 HydrophobicContact CD2-CD1 3.93Å; L101-L122 HydrophobicContact CD2-CD2 4.28Å; T104-L122 HydrophobicContact CG2-CD2 3.73Å; T104-L122 HydrophobicContact CG2-CG 4.36Å; L105-L122 HydrophobicContact CD1-CD1 4.08Å; L105-L122 HydrophobicContact CD2-CD1 4.19Å; L105-L122 HydrophobicContact CG-CD1 4.26Å; L118-L122 HydrophobicContact CD2-CD1 3.42Å; L118-L122 VanDerWaalsContact CD2-CD1 3.42Å; L118-L122 HydrophobicContact CD2-CG 3.87Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-L122 PolarHBondContact O-N 3.37Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.48Å; L122-M125 HydrophobicContact CD2-CE 3.67Å; L122-M125 HydrophobicContact CG-CE 4.32Å; L122-M125 PolarHBondContact O-N 2.8Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 3.35Å; L122-V145 HydrophobicContact CB-CG1 4.02Å; L122-V145 HydrophobicContact CB-CG2 4.27Å; L122-V145 HydrophobicContact CD1-CG1 4.03Å; L122-I147 HydrophobicContact CD1-CD1 4.04Å |
| 123 | A | 97.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 79.3 Ų | 79.3 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S119 M120 N121 R127 V143 V145 | S119-A123 WeakPolarHBondContact O-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.44Å; M120-A123 PolarHBondContact O-N 3.2Å; N121-A123 PolarHBondContact O-N 3.11Å; A123-R127 VanDerWaalsContact O-CB 3.3Å; A123-R127 WeakPolarHBondContact O-CB 3.48Å; A123-R127 PolarHBondContact O-N 3.36Å; A123-V143 HydrophobicContact CB-CG1 4.22Å; A123-V145 HydrophobicContact CB-CB 4.41Å; A123-V145 HydrophobicContact CB-CG2 3.89Å |
| 124 | N | 97.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 73.8 Ų | 73.8 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 176.4 | -74.8 | -31.2 | 0 | 0 | 0 | 112.5 | M120 N121 L122 R127 K128 | M120-N124 WeakPolarHBondContact O-CB 3.16Å; M120-N124 PolarHBondContact O-N 2.8Å; M120-N124 PolarHBondContact O-ND2 3.36Å; N121-N124 PolarHBondContact O-N 3.27Å; L122-N124 VanDerWaalsContact C-N 3.32Å; L122-N124 PolarHBondContact O-N 3.48Å; N124-R127 PolarHBondContact O-N 2.86Å; N124-K128 WeakPolarHBondContact O-CB 3.42Å; N124-K128 PolarHBondContact O-N 3.41Å |
| 125 | M | 97 | Very high | 94.3 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 176 | -73 | -169.9 | -55.2 | 0 | 0 | 111.3 | T104 N121 L122 R127 K128 N129 | T104-M125 HydrophobicContact CG2-CE 4.15Å; N121-M125 WeakPolarHBondContact O-CG 3.36Å; N121-M125 PolarHBondContact O-N 2.89Å; L122-M125 HydrophobicContact CD2-CE 3.67Å; L122-M125 HydrophobicContact CG-CE 4.32Å; L122-M125 PolarHBondContact O-N 2.8Å; M125-R127 VanDerWaalsContact C-N 3.34Å; M125-R127 PolarHBondContact O-N 2.94Å; M125-K128 PolarHBondContact O-N 2.97Å; M125-N129 WeakPolarHBondContact O-CB 3.41Å; M125-N129 PolarHBondContact O-N 3.2Å; M125-N129 PolarHBondContact O-OD1 3.42Å |
| 126 | L | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.4 | -75.2 | 173.8 | 0 | 0 | 0 | 111.4 | I97 T100 L122 K128 N129 V130 V143 V145 I187 | I97-L126 HydrophobicContact CB-CD2 4.48Å; I97-L126 HydrophobicContact CG1-CD2 4.3Å; T100-L126 HydrophobicContact CG2-CD2 3.85Å; T100-L126 HydrophobicContact CG2-CG 4.2Å; L122-L126 WeakPolarHBondContact O-CB 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.46Å; L122-L126 PolarHBondContact O-N 3.35Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.29Å; L126-N129 PolarHBondContact O-N 2.8Å; L126-V130 WeakPolarHBondContact O-CB 3.22Å; L126-V130 VanDerWaalsContact O-CG2 3.24Å; L126-V130 WeakPolarHBondContact O-CG2 3.18Å; L126-V130 PolarHBondContact O-N 3.21Å; L126-V143 HydrophobicContact CB-CG1 3.83Å; L126-V143 HydrophobicContact CD1-CG1 4.01Å; L126-V145 HydrophobicContact CD1-CG2 3.81Å; L126-I187 HydrophobicContact CB-CD1 4.23Å; L126-I187 HydrophobicContact CD2-CD1 4.38Å |
| 127 | R | 96 | Very high | 92.5 | Very high | 152 Ų | 152 | 71.2 Ų | 71.2 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 177.3 | -175.2 | -179.7 | -178.9 | 179.5 | 1.7 | 112.2 | A123 N124 M125 R131 V143 | A123-R127 VanDerWaalsContact O-CB 3.3Å; A123-R127 WeakPolarHBondContact O-CB 3.48Å; A123-R127 PolarHBondContact O-N 3.36Å; N124-R127 PolarHBondContact O-N 2.86Å; M125-R127 VanDerWaalsContact C-N 3.34Å; M125-R127 PolarHBondContact O-N 2.94Å; R127-R131 WeakPolarHBondContact O-CB 2.92Å; R127-R131 PolarHBondContact O-N 2.89Å; R127-V143 HydrophobicContact CB-CG2 4.01Å |
| 128 | K | 95.7 | Very high | 92.2 | Very high | 130 Ų | 130 | 70 Ų | 70 | 57% | 0.565 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -52.1 | 176.7 | -179.9 | -180 | 171.6 | -174 | 0 | 110.9 | N124 M125 L126 V130 R131 E132 | N124-K128 WeakPolarHBondContact O-CB 3.42Å; N124-K128 PolarHBondContact O-N 3.41Å; M125-K128 PolarHBondContact O-N 2.97Å; L126-K128 VanDerWaalsContact C-N 3.32Å; L126-K128 PolarHBondContact O-N 3.29Å; K128-V130 PolarHBondContact O-N 3.12Å; K128-R131 WeakPolarHBondContact O-CB 3.41Å; K128-R131 PolarHBondContact O-N 2.83Å; K128-R131 VanDerWaalsContact O-N 3.11Å; K128-E132 WeakPolarHBondContact CE-OE1 3.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.46Å; K128-E132 IonicContact NZ-OE1 2.72Å; K128-E132 WeakPolarHBondContact O-CG 3.37Å; K128-E132 PolarHBondContact O-N 3.39Å |
| 129 | N | 95 | Very high | 92 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | -176.9 | -63.1 | -7.8 | 0 | 0 | 0 | 112 | L96 M125 L126 R131 E132 L133 | L96-N129 HydrophobicContact CD1-CB 3.99Å; L96-N129 HydrophobicContact CD2-CB 4.12Å; L96-N129 HydrophobicContact CG-CB 4.43Å; M125-N129 WeakPolarHBondContact O-CB 3.41Å; M125-N129 PolarHBondContact O-N 3.2Å; M125-N129 PolarHBondContact O-OD1 3.42Å; L126-N129 PolarHBondContact O-N 2.8Å; N129-R131 VanDerWaalsContact C-N 3.3Å; N129-R131 PolarHBondContact O-N 3.18Å; N129-E132 PolarHBondContact O-N 2.77Å; N129-L133 WeakPolarHBondContact O-CB 3.19Å; N129-L133 VanDerWaalsContact O-CG 3.3Å; N129-L133 WeakPolarHBondContact O-CG 3.35Å; N129-L133 PolarHBondContact O-N 3.37Å |
| 130 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | L93 L96 L126 K128 N134 F141 I187 | L93-V130 HydrophobicContact CD2-CG1 3.98Å; L93-V130 HydrophobicContact CD2-CG2 4.12Å; L96-V130 HydrophobicContact CD2-CB 4.14Å; L96-V130 HydrophobicContact CD2-CG2 3.25Å; L126-V130 WeakPolarHBondContact O-CB 3.22Å; L126-V130 VanDerWaalsContact O-CG2 3.24Å; L126-V130 WeakPolarHBondContact O-CG2 3.18Å; L126-V130 PolarHBondContact O-N 3.21Å; K128-V130 PolarHBondContact O-N 3.12Å; V130-N134 PolarHBondContact O-N 2.92Å; V130-N134 PolarHBondContact O-ND2 2.98Å; V130-F141 HydrophobicContact CG1-CB 4.44Å; V130-F141 HydrophobicContact CG1-CD1 3.31Å; V130-F141 HydrophobicContact CG1-CD2 3.83Å; V130-F141 HydrophobicContact CG1-CE1 3.27Å; V130-F141 HydrophobicContact CG1-CE2 3.82Å; V130-F141 HydrophobicContact CG1-CG 3.58Å; V130-F141 HydrophobicContact CG1-CZ 3.53Å; V130-I187 HydrophobicContact CG2-CD1 3.57Å; V130-I187 HydrophobicContact CG2-CG2 4.41Å |
| 131 | R | 93.1 | Very high | 91.7 | Very high | 177 Ų | 177 | 69.6 Ų | 69.6 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.6 | -45.7 | 178.3 | -167.3 | 178.1 | -165.9 | -173.1 | 2.2 | 110.7 | R127 K128 N129 N134 T135 | R127-R131 WeakPolarHBondContact O-CB 2.92Å; R127-R131 PolarHBondContact O-N 2.89Å; K128-R131 WeakPolarHBondContact O-CB 3.41Å; K128-R131 PolarHBondContact O-N 2.83Å; K128-R131 VanDerWaalsContact O-N 3.11Å; N129-R131 VanDerWaalsContact C-N 3.3Å; N129-R131 PolarHBondContact O-N 3.18Å; R131-N134 PolarHBondContact O-N 2.93Å; R131-T135 WeakPolarHBondContact O-CB 3.26Å; R131-T135 PolarHBondContact O-N 3.09Å; R131-T135 PolarHBondContact O-OG1 2.87Å |
| 132 | E | 92.4 | Very high | 91.6 | Very high | 114 Ų | 114 | 69.4 Ų | 69.4 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 179.4 | -72.9 | 173.5 | -179.5 | 0 | 0 | 111.9 | K128 N129 N134 T135 | K128-E132 WeakPolarHBondContact CE-OE1 3.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.46Å; K128-E132 IonicContact NZ-OE1 2.72Å; K128-E132 WeakPolarHBondContact O-CG 3.37Å; K128-E132 PolarHBondContact O-N 3.39Å; N129-E132 PolarHBondContact O-N 2.77Å; E132-N134 PolarHBondContact O-N 3.31Å; E132-T135 PolarHBondContact O-N 3.07Å |
| 133 | L | 90.3 | Very high | 91.6 | Very high | 95 Ų | 95 | 70.7 Ų | 70.7 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -24.5 | -179.4 | -73.6 | 173.3 | 0 | 0 | 0 | 114.5 | L96 N129 | L96-L133 HydrophobicContact CB-CD1 4.49Å; L96-L133 HydrophobicContact CD1-CD1 3.51Å; L96-L133 HydrophobicContact CD2-CD1 3.77Å; L96-L133 HydrophobicContact CG-CD1 4.1Å; N129-L133 WeakPolarHBondContact O-CB 3.19Å; N129-L133 VanDerWaalsContact O-CG 3.3Å; N129-L133 WeakPolarHBondContact O-CG 3.35Å; N129-L133 PolarHBondContact O-N 3.37Å |
| 134 | N | 85.2 | Confident | 91.5 | Very high | 27 Ų | 27 | 73.5 Ų | 73.5 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -108.8 | 2.4 | -178.2 | -61.6 | -69.1 | 0 | 0 | 0 | 112.3 | V130 R131 E132 P136 S137 F141 | V130-N134 PolarHBondContact O-N 2.92Å; V130-N134 PolarHBondContact O-ND2 2.98Å; R131-N134 PolarHBondContact O-N 2.93Å; E132-N134 PolarHBondContact O-N 3.31Å; N134-P136 CarbonylContact O-C 3.6Å; N134-S137 WeakPolarHBondContact O-CA 3.41Å; N134-S137 WeakPolarHBondContact O-CB 3.35Å; N134-S137 PolarHBondContact O-N 3.36Å; N134-F141 HydrophobicContact CB-CZ 4.21Å |
| 135 | T | 80.4 | Confident | 91.5 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | trans | -73 | 132.8 | -177.2 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | R131 E132 | R131-T135 WeakPolarHBondContact O-CB 3.26Å; R131-T135 PolarHBondContact O-N 3.09Å; R131-T135 PolarHBondContact O-OG1 2.87Å; E132-T135 PolarHBondContact O-N 3.07Å | ||
| 136 | P | 74.7 | Confident | 91.4 | Very high | 122 Ų | 122 | 70.4 Ų | 70.4 | 79% | 0.792 | 34% | 0.343 | S | S | * | . | S | Bend | cis | -82.1 | 121.6 | -4.7 | 31.6 | -31.6 | 0 | 0 | 0 | 111.9 | N134 | N134-P136 CarbonylContact O-C 3.6Š|
| 137 | S | 77 | Confident | 91.3 | Very high | 41 Ų | 41 | 71.9 Ų | 71.9 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | trans | -126.8 | 135.8 | 178.9 | 158.3 | 0 | 0 | 0 | 0 | 110.6 | N134 Y139 | N134-S137 WeakPolarHBondContact O-CA 3.41Å; N134-S137 WeakPolarHBondContact O-CB 3.35Å; N134-S137 PolarHBondContact O-N 3.36Å; S137-Y139 PolarHBondContact O-N 3.06Å; S137-Y139 WeakPolarHBondContact OG-CB 3.38Å; S137-Y139 WeakPolarHBondContact OG-CD2 3.43Å; S137-Y139 PolarHBondContact OG-N 3.48Å | ||
| 138 | R | 88.7 | Confident | 91.2 | Very high | 49 Ų | 49 | 65 Ų | 65 | 19% | 0.185 | 33% | 0.327 | C | S | . | . | trans | -88.5 | 44.2 | 175.5 | -69.6 | -172.6 | -62.6 | 143.8 | 17.9 | 110.6 | R79 Q81 E86 Y191 F192 | R79-R138 VanDerWaalsContact NE-NH1 3.18Å; R79-R138 VanDerWaalsContact NH2-NE 3.16Å; R79-R138 PolarHBondContact O-NH1 2.86Å; R79-R138 VanDerWaalsContact O-NH1 3.14Å; Q81-R138 PolarHBondContact O-NH2 2.85Å; E86-R138 IonicContact OE2-NH2 3.59Å; R138-Y191 HydrophobicContact CB-CD2 4.46Å; R138-Y191 HydrophobicContact CB-CE2 3.95Å; R138-Y191 PolarHBondContact NH1-OH 3.33Å; R138-Y191 PolarHBondContact NH2-OH 3.41Å; R138-Y191 WeakPolarHBondContact O-CD2 3.33Å; R138-F192 WeakPolarHBondContact CB-O 3.37Å; R138-F192 PolarHBondContact O-N 3.41Å | ||
| 139 | Y | 91.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144 | 179.2 | -70.9 | -108 | 0 | 0 | 0 | 110.1 | P82 E86 I88 S137 G168 A189 V190 Y191 | P82-Y139 HydrophobicContact CB-CE2 4.27Å; P82-Y139 WeakPolarHBondContact CB-OH 3.32Å; P82-Y139 WeakPolarHBondContact CG-OH 3.3Å; E86-Y139 WeakPolarHBondContact O-CE2 3.38Å; E86-Y139 PolarHBondContact O-OH 3.49Å; I88-Y139 HydrophobicContact CD1-CD1 3.65Å; I88-Y139 HydrophobicContact CD1-CD2 3.88Å; I88-Y139 HydrophobicContact CD1-CE1 3.94Å; I88-Y139 HydrophobicContact CD1-CE2 4.12Å; I88-Y139 HydrophobicContact CD1-CG 3.58Å; I88-Y139 HydrophobicContact CG1-CD1 4.35Å; I88-Y139 HydrophobicContact CG1-CD2 4.32Å; I88-Y139 HydrophobicContact CG1-CE1 4.15Å; I88-Y139 HydrophobicContact CG1-CE2 4.07Å; I88-Y139 HydrophobicContact CG1-CG 4.41Å; S137-Y139 PolarHBondContact O-N 3.06Å; S137-Y139 WeakPolarHBondContact OG-CB 3.38Å; S137-Y139 WeakPolarHBondContact OG-CD2 3.43Å; S137-Y139 PolarHBondContact OG-N 3.48Å; Y139-G168 WeakPolarHBondContact CE1-O 3.46Å; Y139-A189 HydrophobicContact CD1-CB 4.15Å; Y139-V190 CarbonylContact C-O 3.47Å; Y139-V190 WeakPolarHBondContact CA-O 3.05Å; Y139-Y191 HydrophobicContact CD2-CD2 4.08Å; Y139-Y191 HydrophobicContact CE1-CD2 4.28Å; Y139-Y191 AromaticContact CE2-CD2 3.78Å; Y139-Y191 HydrophobicContact CE2-CD2 3.78Å; Y139-Y191 AromaticContact CZ-CD2 3.89Å |
| 140 | K | 92.2 | Very high | 90.9 | Very high | 107 Ų | 107 | 59.4 Ų | 59.4 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.1 | 164.7 | -72.2 | 176 | 174.8 | 168.9 | 0 | 108.4 | V190 F192 | K140-V190 PolarHBondContact N-O 3.41Å; K140-V190 PolarHBondContact O-N 3.14Å; K140-F192 HydrophobicContact CD-CB 3.96Å; K140-F192 HydrophobicContact CD-CD1 4.37Å; K140-F192 HydrophobicContact CD-CD2 3.98Å; K140-F192 HydrophobicContact CD-CG 3.82Å; K140-F192 VanDerWaalsContact CE-CD2 3.45Å; K140-F192 HydrophobicContact CG-CB 3.9Å; K140-F192 HydrophobicContact CG-CG 4.15Å |
| 141 | F | 94.6 | Very high | 90.5 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.9 | 179.9 | -58.9 | -71.8 | 0 | 0 | 0 | 110.2 | I88 V130 N134 I187 H188 A189 | I88-F141 HydrophobicContact CD1-CE1 3.47Å; I88-F141 VanDerWaalsContact CD1-CE1 3.47Å; I88-F141 HydrophobicContact CD1-CZ 3.6Å; V130-F141 HydrophobicContact CG1-CB 4.44Å; V130-F141 HydrophobicContact CG1-CD1 3.31Å; V130-F141 HydrophobicContact CG1-CD2 3.83Å; V130-F141 HydrophobicContact CG1-CE1 3.27Å; V130-F141 HydrophobicContact CG1-CE2 3.82Å; V130-F141 HydrophobicContact CG1-CG 3.58Å; V130-F141 HydrophobicContact CG1-CZ 3.53Å; N134-F141 HydrophobicContact CB-CZ 4.21Å; F141-I187 HydrophobicContact CD1-CG2 4.49Å; F141-H188 WeakPolarHBondContact CA-O 3.41Å; F141-A189 HydrophobicContact CD1-CB 3.77Å; F141-A189 HydrophobicContact CE1-CB 3.61Å |
| 142 | V | 95.2 | Very high | 89.9 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 47% | 0.473 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.5 | 168.5 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | I187 H188 | V142-I187 CarbonylContact O-C 3.54Å; V142-I187 WeakPolarHBondContact O-CA 3.19Å; V142-H188 HydrophobicContact CB-CB 4.23Å; V142-H188 PolarHBondContact N-O 3.32Å; V142-H188 PolarHBondContact O-N 3.08Å |
| 143 | V | 97.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 65.2 Ų | 65.2 | 16% | 0.158 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.9 | -177.2 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | A123 L126 R127 V145 I186 I187 | A123-V143 HydrophobicContact CB-CG1 4.22Å; L126-V143 HydrophobicContact CB-CG1 3.83Å; L126-V143 HydrophobicContact CD1-CG1 4.01Å; R127-V143 HydrophobicContact CB-CG2 4.01Å; V143-V145 HydrophobicContact CG1-CG2 4.22Å; V143-I186 WeakPolarHBondContact CA-O 2.83Å; V143-I187 HydrophobicContact CG1-CG1 4.28Å; V143-I187 HydrophobicContact CG2-CD1 4.33Å; V143-I187 HydrophobicContact CG2-CG1 4.14Å; V143-I187 HydrophobicContact CG2-CG2 4.42Å |
| 144 | Q | 96.6 | Very high | 89.1 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.2 | 174 | -63 | 176 | -51.6 | 0 | 0 | 108.7 | G185 I186 | Q144-G185 WeakPolarHBondContact O-CA 3.42Å; Q144-I186 HydrophobicContact CB-CB 4.35Å; Q144-I186 PolarHBondContact N-O 3.44Å; Q144-I186 PolarHBondContact O-N 3.27Å |
| 145 | V | 97 | Very high | 89.3 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 13% | 0.127 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 124.3 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | L122 A123 L126 V143 I147 V184 | L122-V145 HydrophobicContact CB-CG1 4.02Å; L122-V145 HydrophobicContact CB-CG2 4.27Å; L122-V145 HydrophobicContact CD1-CG1 4.03Å; A123-V145 HydrophobicContact CB-CB 4.41Å; A123-V145 HydrophobicContact CB-CG2 3.89Å; L126-V145 HydrophobicContact CD1-CG2 3.81Å; V143-V145 HydrophobicContact CG1-CG2 4.22Å; V145-I147 HydrophobicContact CG1-CG1 4.18Å; V145-V184 CarbonylContact C-O 3.59Å; V145-V184 WeakPolarHBondContact CA-O 3.46Å |
| 146 | H | 95.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 73.3 Ų | 73.3 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.8 | 174.7 | -58.3 | -88.5 | 0 | 0 | 0 | 108.9 | I157 A183 V184 | H146-I157 HydrophobicContact CB-CD1 3.82Å; H146-A183 CarbonylContact O-C 3.49Å; H146-A183 WeakPolarHBondContact O-CA 3.35Å; H146-V184 HydrophobicContact CB-CB 4.34Å; H146-V184 PolarHBondContact N-O 2.93Å; H146-V184 PolarHBondContact O-N 2.83Å |
| 147 | I | 95 | Very high | 90.7 | Very high | 31 Ų | 31 | 70.7 Ų | 70.7 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.6 | 178 | -60 | 177.8 | 0 | 0 | 0 | 108.2 | Y110 A115 L118 L122 V145 I181 F182 A183 | Y110-I147 HydrophobicContact CD2-CG2 4.14Å; Y110-I147 HydrophobicContact CE2-CG2 4.2Å; A115-I147 HydrophobicContact CB-CG2 4.32Å; L118-I147 HydrophobicContact CB-CD1 4.13Å; L118-I147 HydrophobicContact CD2-CD1 3.39Å; L118-I147 HydrophobicContact CG-CD1 4.35Å; L122-I147 HydrophobicContact CD1-CD1 4.04Å; V145-I147 HydrophobicContact CG1-CG1 4.18Å; I147-I181 HydrophobicContact CG2-CD1 3.52Å; I147-I181 HydrophobicContact CG2-CG1 3.78Å; I147-F182 WeakPolarHBondContact CA-O 3.02Å; I147-A183 HydrophobicContact CG1-CB 4.21Å |
| 148 | G | 94 | Very high | 91.4 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I181 F182 | G148-I181 WeakPolarHBondContact O-CA 3.44Å; G148-F182 VanDerWaalsContact CA-CE1 3.48Å; G148-F182 VanDerWaalsContact CA-CZ 3.46Å; G148-F182 PolarHBondContact N-O 2.7Å; G148-F182 WeakPolarHBondContact O-CD1 2.77Å; G148-F182 PolarHBondContact O-N 2.91Å |
| 149 | S | 93.7 | Very high | 91.4 | Very high | 17 Ų | 17 | 73 Ų | 73 | 12% | 0.119 | 40% | 0.398 | C | S | . | . | trans | -86.5 | 133.4 | 172 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | E151 N153 F182 | S149-E151 PolarHBondContact O-N 3.32Å; S149-E151 PolarHBondContact OG-N 3Å; S149-N153 WeakPolarHBondContact O-CB 3.36Å; S149-F182 VanDerWaalsContact O-CE1 3.3Å; S149-F182 WeakPolarHBondContact O-CE1 3.43Å | ||
| 150 | P | 89.6 | Confident | 91.3 | Very high | 42 Ų | 42 | 81.5 Ų | 81.5 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -73.1 | -16.3 | 173.8 | 32.3 | -35.1 | 0 | 0 | 0 | 112.3 | H152 S179 K180 I181 F182 | P150-H152 PolarHBondContact O-N 2.59Å; P150-S179 VanDerWaalsContact CG-O 3.26Å; P150-S179 WeakPolarHBondContact CG-O 3.35Å; P150-K180 VanDerWaalsContact CD-O 3.23Å; P150-K180 WeakPolarHBondContact CD-O 3.42Å; P150-I181 VanDerWaalsContact CD-N 3.34Å; P150-F182 HydrophobicContact CB-CD1 4.5Å |
| 151 | E | 86.8 | Confident | 91.1 | Very high | 119 Ų | 119 | 79.1 Ų | 79.1 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -75.3 | 121.1 | 178.2 | -64 | -177.8 | 175.5 | 0 | 0 | 110 | S149 N153 | S149-E151 PolarHBondContact O-N 3.32Å; S149-E151 PolarHBondContact OG-N 3Å; E151-N153 PolarHBondContact O-N 3.29Å; E151-N153 PolarHBondContact O-ND2 3.02Å |
| 152 | H | 80.7 | Confident | 90.9 | Very high | 190 Ų | 190 | 86.6 Ų | 86.6 | 88% | 0.88 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 58.8 | 9.5 | 175 | -52.2 | -66.3 | 0 | 0 | 0 | 117 | P150 | P150-H152 PolarHBondContact O-N 2.59Š|
| 153 | N | 81.2 | Confident | 90.5 | Very high | 104 Ų | 104 | 86.8 Ų | 86.8 | 56% | 0.556 | 47% | 0.466 | S | S | * | . | trans | -124.9 | 133.8 | 180 | -62.4 | -70.7 | 0 | 0 | 0 | 110.8 | S149 E151 | S149-N153 WeakPolarHBondContact O-CB 3.36Å; E151-N153 PolarHBondContact O-N 3.29Å; E151-N153 PolarHBondContact O-ND2 3.02Å | ||
| 154 | S | 85.6 | Confident | 90 | Very high | 103 Ų | 103 | 88.9 Ų | 88.9 | 72% | 0.72 | 48% | 0.476 | S | S | * | . | trans | -122.8 | 133.8 | 168.1 | 62.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 155 | I | 89.5 | Confident | 89.5 | Confident | 84 Ų | 84 | 91 Ų | 91 | 43% | 0.431 | 49% | 0.489 | S | S | . | . | trans | -122.7 | 148 | 174.9 | 68.3 | 161.3 | 0 | 0 | 0 | 110.4 | I157 F182 | I155-I157 HydrophobicContact CD1-CD1 3.64Å; I155-I157 HydrophobicContact CD1-CG1 3.95Å; I155-F182 HydrophobicContact CD1-CD2 4.39Å; I155-F182 HydrophobicContact CD1-CE2 3.27Å; I155-F182 HydrophobicContact CD1-CZ 3.57Å; I155-F182 HydrophobicContact CG1-CE2 3.7Å; I155-F182 HydrophobicContact CG1-CZ 3.67Å; I155-F182 HydrophobicContact CG2-CZ 4.11Å | ||
| 156 | F | 90.8 | Very high | 88.9 | Confident | 199 Ų | 199 | 96.7 Ų | 96.7 | 87% | 0.873 | 52% | 0.515 | S | S | * | . | trans | -118.8 | 126.1 | 169.1 | -67.4 | -85 | 0 | 0 | 0 | 107.9 | ||||
| 157 | I | 91.8 | Very high | 88.4 | Confident | 66 Ų | 66 | 95.2 Ų | 95.2 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | trans | -113.7 | 118.5 | 177.1 | -61.2 | 166.2 | 0 | 0 | 0 | 107.4 | H146 I155 V184 I186 | H146-I157 HydrophobicContact CB-CD1 3.82Å; I155-I157 HydrophobicContact CD1-CD1 3.64Å; I155-I157 HydrophobicContact CD1-CG1 3.95Å; I157-V184 HydrophobicContact CD1-CB 3.73Å; I157-V184 HydrophobicContact CD1-CG1 3.91Å; I157-V184 HydrophobicContact CD1-CG2 3.83Å; I157-I186 HydrophobicContact CG2-CD1 3.79Å | ||
| 158 | G | 91.7 | Very high | 88.1 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 79% | 0.794 | 50% | 0.504 | S | S | * | . | trans | -113.9 | 139.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 159 | S | 88.5 | Confident | 88 | Confident | 63 Ų | 63 | 94.9 Ų | 94.9 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | trans | -128.2 | 125.3 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 160 | Q | 90.8 | Very high | 88 | Confident | 195 Ų | 195 | 94.6 Ų | 94.6 | 91% | 0.911 | 50% | 0.504 | S | S | * | . | trans | -111.5 | 135.3 | 173.5 | -67.5 | -178.4 | -1.9 | 0 | 0 | 108 | ||||
| 161 | S | 87.7 | Confident | 88.2 | Confident | 58 Ų | 58 | 95.8 Ų | 95.8 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | trans | -148.1 | 146.9 | -176.2 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 162 | I | 89.5 | Confident | 88.6 | Confident | 184 Ų | 184 | 90.5 Ų | 90.5 | 94% | 0.944 | 48% | 0.48 | S | S | * | . | trans | -110.1 | 115.9 | 171.7 | -57.1 | 172.6 | 0 | 0 | 0 | 105.6 | ||||
| 163 | W | 88.2 | Confident | 89.4 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 31% | 0.311 | 46% | 0.457 | S | S | . | . | trans | -141.4 | 162.3 | -179.6 | 52.8 | 47.6 | 0 | 0 | 0 | 111 | D169 Y171 H188 | W163-D169 HydrophobicContact CB-CB 3.62Å; W163-D169 HydrophobicContact CG-CB 4.14Å; W163-Y171 AromaticContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD2 4.21Å; W163-Y171 AromaticContact CH2-CE1 3.67Å; W163-Y171 HydrophobicContact CH2-CE1 3.67Å; W163-Y171 AromaticContact CH2-CG 3.39Å; W163-Y171 HydrophobicContact CH2-CG 3.39Å; W163-Y171 AromaticContact CZ2-CD1 3.18Å; W163-Y171 HydrophobicContact CZ2-CD1 3.18Å; W163-Y171 AromaticContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CG 4.01Å; W163-Y171 HydrophobicContact CZ3-CD1 4.02Å; W163-Y171 HydrophobicContact CZ3-CG 4.04Å; W163-H188 AromaticContact CZ3-CE1 3.85Å; W163-H188 AromaticContact CZ3-ND1 3.43Å; W163-H188 WeakPolarHBondContact CZ3-ND1 3.25Å | ||
| 164 | N | 86.4 | Confident | 90.1 | Very high | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | trans | -101 | 100.9 | -179.7 | -168.8 | -23.9 | 0 | 0 | 0 | 110.8 | E166 M167 G168 D169 | N164-E166 PolarHBondContact O-N 2.92Å; N164-E166 WeakPolarHBondContact OD1-CB 3.3Å; N164-E166 PolarHBondContact OD1-N 2.99Å; N164-M167 HydrophobicContact CB-CB 3.97Å; N164-M167 HydrophobicContact CB-CG 3.67Å; N164-M167 WeakPolarHBondContact ND2-CG 3.38Å; N164-M167 PolarHBondContact O-N 3.22Å; N164-M167 PolarHBondContact OD1-N 2.88Å; N164-G168 PolarHBondContact O-N 3.37Å; N164-D169 PolarHBondContact N-OD2 3.12Å; N164-D169 PolarHBondContact O-N 2.66Å | ||
| 165 | I | 85.8 | Confident | 90.6 | Very high | 125 Ų | 125 | 79.8 Ų | 79.8 | 64% | 0.641 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -59.7 | -36.2 | -180 | -57.4 | 174 | 0 | 0 | 0 | 110.9 | M167 G168 | I165-M167 VanDerWaalsContact C-N 3.26Å; I165-M167 PolarHBondContact O-N 3.14Å; I165-G168 PolarHBondContact O-N 3.23Å |
| 166 | E | 85.1 | Confident | 90.9 | Very high | 142 Ų | 142 | 76.8 Ų | 76.8 | 66% | 0.664 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -65.4 | -32.8 | 178.5 | -57.1 | -174.1 | 162.6 | 0 | 0 | 111.8 | R87 N164 G168 | R87-E166 PolarHBondContact NH2-O 2.91Å; N164-E166 PolarHBondContact O-N 2.92Å; N164-E166 WeakPolarHBondContact OD1-CB 3.3Å; N164-E166 PolarHBondContact OD1-N 2.99Å; E166-G168 PolarHBondContact O-N 2.91Å |
| 167 | M | 84.4 | Confident | 91 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -80.9 | 0.3 | 176.8 | -53.6 | -65.9 | -107.6 | 0 | 0 | 112.6 | I80 Q81 P82 N164 I165 Y191 | I80-M167 HydrophobicContact CB-CE 4.1Å; I80-M167 HydrophobicContact CG2-CE 3.32Å; I80-M167 WeakPolarHBondContact O-CE 3.43Å; Q81-M167 HydrophobicContact CG-CE 4.32Å; Q81-M167 HydrophobicContact CG-SD 3.3Å; Q81-M167 WeakPolarHBondContact CG-SD 3.28Å; P82-M167 WeakPolarHBondContact CD-O 2.99Å; P82-M167 VanDerWaalsContact CG-O 3.28Å; P82-M167 WeakPolarHBondContact CG-O 3.45Å; N164-M167 HydrophobicContact CB-CB 3.97Å; N164-M167 HydrophobicContact CB-CG 3.67Å; N164-M167 WeakPolarHBondContact ND2-CG 3.38Å; N164-M167 PolarHBondContact O-N 3.22Å; N164-M167 PolarHBondContact OD1-N 2.88Å; I165-M167 VanDerWaalsContact C-N 3.26Å; I165-M167 PolarHBondContact O-N 3.14Å; M167-Y191 WeakPolarHBondContact O-CB 3.48Å |
| 168 | G | 87.9 | Confident | 91.1 | Very high | 8 Ų | 8 | 70.8 Ų | 70.8 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y139 N164 I165 E166 T170 | Y139-G168 WeakPolarHBondContact CE1-O 3.46Å; N164-G168 PolarHBondContact O-N 3.37Å; I165-G168 PolarHBondContact O-N 3.23Å; E166-G168 PolarHBondContact O-N 2.91Å; G168-T170 PolarHBondContact O-N 2.62Å |
| 169 | D | 92 | Very high | 91.1 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.134 | 38% | 0.384 | C | S | . | . | trans | -59.8 | 137.5 | 171.8 | -66.1 | -23.4 | 0 | 0 | 0 | 110 | W163 N164 A189 V190 Y191 | W163-D169 HydrophobicContact CB-CB 3.62Å; W163-D169 HydrophobicContact CG-CB 4.14Å; N164-D169 PolarHBondContact N-OD2 3.12Å; N164-D169 PolarHBondContact O-N 2.66Å; D169-A189 WeakPolarHBondContact CA-O 3.34Å; D169-V190 WeakPolarHBondContact OD1-CA 3.24Å; D169-Y191 PolarHBondContact OD1-N 2.6Å | ||
| 170 | T | 93.4 | Very high | 91.3 | Very high | 10 Ų | 10 | 72.6 Ų | 72.6 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 162 | -177.6 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | I88 Q90 L93 G168 A189 | I88-T170 HydrophobicContact CB-CG2 4.06Å; I88-T170 HydrophobicContact CG2-CG2 4.13Å; Q90-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q90-T170 PolarHBondContact NE2-OG1 3.37Å; Q90-T170 VanDerWaalsContact NE2-OG1 3.12Å; L93-T170 HydrophobicContact CD1-CG2 4.17Å; G168-T170 PolarHBondContact O-N 2.62Å; T170-A189 HydrophobicContact CG2-CB 3.88Å; T170-A189 PolarHBondContact N-O 2.72Å; T170-A189 PolarHBondContact O-N 2.98Å |
| 171 | Y | 94.8 | Very high | 91.5 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 26% | 0.263 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 163.8 | 170.4 | 80.6 | -70.1 | 0 | 0 | 0 | 110.8 | Q90 W163 I187 | Q90-Y171 WeakPolarHBondContact CG-O 3.5Å; W163-Y171 AromaticContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD1 3.06Å; W163-Y171 HydrophobicContact CH2-CD2 4.21Å; W163-Y171 AromaticContact CH2-CE1 3.67Å; W163-Y171 HydrophobicContact CH2-CE1 3.67Å; W163-Y171 AromaticContact CH2-CG 3.39Å; W163-Y171 HydrophobicContact CH2-CG 3.39Å; W163-Y171 AromaticContact CZ2-CD1 3.18Å; W163-Y171 HydrophobicContact CZ2-CD1 3.18Å; W163-Y171 AromaticContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CE1 3.54Å; W163-Y171 HydrophobicContact CZ2-CG 4.01Å; W163-Y171 HydrophobicContact CZ3-CD1 4.02Å; W163-Y171 HydrophobicContact CZ3-CG 4.04Å; Y171-I187 CarbonylContact C-O 3.07Å; Y171-I187 WeakPolarHBondContact CA-O 3.41Å |
| 172 | A | 95.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L93 R94 I97 I186 I187 | L93-A172 HydrophobicContact CB-CB 3.52Å; L93-A172 HydrophobicContact CD1-CB 4.32Å; R94-A172 HydrophobicContact CB-CB 4.4Å; I97-A172 HydrophobicContact CD1-CB 4.13Å; A172-I186 WeakPolarHBondContact O-CA 3.44Å; A172-I187 PolarHBondContact N-O 3.12Å; A172-I187 PolarHBondContact O-N 3.19Å |
| 173 | S | 96.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.2 | 171.9 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | G185 | S173-G185 VanDerWaalsContact CA-O 3.23Å; S173-G185 WeakPolarHBondContact CA-O 3.46Å |
| 174 | A | 97 | Very high | 92.5 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 153.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R94 I97 Q98 G185 | R94-A174 HydrophobicContact CG-CB 4.44Å; I97-A174 HydrophobicContact CB-CB 3.95Å; I97-A174 HydrophobicContact CG2-CB 3.65Å; Q98-A174 HydrophobicContact CB-CB 4.36Å; A174-G185 PolarHBondContact N-O 2.86Å; A174-G185 PolarHBondContact O-N 2.88Å |
| 175 | I | 95.6 | Very high | 93 | Very high | 110 Ų | 110 | 46.6 Ų | 46.6 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.4 | -174.7 | -57 | 176.4 | 0 | 0 | 0 | 108 | Q98 A183 V184 | Q98-I175 PolarHBondContact OE1-O 2.89Å; I175-A183 WeakPolarHBondContact CA-O 3.44Å; I175-V184 HydrophobicContact CG1-CG1 4.27Å; I175-V184 HydrophobicContact CG1-CG2 4.11Å; I175-V184 HydrophobicContact CG2-CG2 4.3Å |
| 176 | F | 95.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.9 | 170 | 174.6 | -94.8 | 0 | 0 | 0 | 109.2 | L101 D102 L105 N178 I181 F182 A183 | L101-F176 HydrophobicContact CB-CB 3.77Å; L101-F176 HydrophobicContact CB-CG 4.31Å; L101-F176 HydrophobicContact CD1-CB 4.07Å; L101-F176 HydrophobicContact CG-CB 4.5Å; D102-F176 WeakPolarHBondContact OD1-CD2 3.34Å; L105-F176 HydrophobicContact CB-CD1 3.57Å; L105-F176 HydrophobicContact CB-CE1 3.26Å; L105-F176 HydrophobicContact CB-CG 4.37Å; L105-F176 HydrophobicContact CB-CZ 3.83Å; L105-F176 HydrophobicContact CD1-CD1 3.63Å; L105-F176 HydrophobicContact CD1-CE1 4.2Å; L105-F176 HydrophobicContact CD1-CG 4.27Å; L105-F176 HydrophobicContact CG-CD1 4.27Å; L105-F176 HydrophobicContact CG-CE1 4.38Å; F176-N178 HydrophobicContact CE1-CB 4.02Å; F176-N178 HydrophobicContact CZ-CB 4.1Å; F176-I181 HydrophobicContact CE1-CG2 4.27Å; F176-F182 CarbonylContact O-C 3.51Å; F176-F182 VanDerWaalsContact O-CA 3.29Å; F176-F182 WeakPolarHBondContact O-CA 3.1Å; F176-A183 PolarHBondContact N-O 2.93Å; F176-A183 PolarHBondContact O-N 3.1Å |
| 177 | S | 93.5 | Very high | 94.1 | Very high | 81 Ų | 81 | 34.4 Ų | 34.4 | 57% | 0.566 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 130.8 | 173 | -166.6 | 0 | 0 | 0 | 0 | 110 | ||
| 178 | N | 92.3 | Very high | 94.6 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 32% | 0.316 | 19% | 0.187 | S | C | . | . | trans | -113.6 | -178.8 | 165.5 | -166 | -2 | 0 | 0 | 0 | 108.5 | K106 F176 K180 I181 | K106-N178 PolarHBondContact O-ND2 3.28Å; F176-N178 HydrophobicContact CE1-CB 4.02Å; F176-N178 HydrophobicContact CZ-CB 4.1Å; N178-K180 PolarHBondContact O-N 3.19Å; N178-I181 HydrophobicContact CB-CG2 4.22Å; N178-I181 PolarHBondContact N-O 2.76Å | ||
| 179 | S | 92.7 | Very high | 94.9 | Very high | 83 Ų | 83 | 32.9 Ų | 32.9 | 58% | 0.58 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -61.9 | -24.3 | 174.3 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | P150 | P150-S179 VanDerWaalsContact CG-O 3.26Å; P150-S179 WeakPolarHBondContact CG-O 3.35Å |
| 180 | K | 92.9 | Very high | 95 | Very high | 95 Ų | 95 | 34.6 Ų | 34.6 | 41% | 0.413 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -117.8 | -16.7 | -171.5 | -60.8 | 175.7 | -173.4 | 179.9 | 0 | 115.2 | N109 Y110 P150 N178 | N109-K180 HydrophobicContact CB-CD 4.17Å; N109-K180 WeakPolarHBondContact OD1-CD 3.42Å; N109-K180 WeakPolarHBondContact OD1-CE 3.3Å; N109-K180 PolarHBondContact OD1-NZ 2.95Å; Y110-K180 WeakPolarHBondContact CB-O 3.4Å; P150-K180 VanDerWaalsContact CD-O 3.23Å; P150-K180 WeakPolarHBondContact CD-O 3.42Å; N178-K180 PolarHBondContact O-N 3.19Å |
| 181 | I | 94.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | trans | -149.4 | 142.1 | -175.4 | -172.5 | 161.1 | 0 | 0 | 0 | 109.7 | L105 V108 Y110 I147 G148 P150 F176 N178 | L105-I181 HydrophobicContact CD2-CD1 4.14Å; V108-I181 HydrophobicContact CG1-CD1 4.25Å; V108-I181 WeakPolarHBondContact O-CG2 3.43Å; Y110-I181 HydrophobicContact CD2-CD1 4.23Å; Y110-I181 HydrophobicContact CD2-CG1 4.26Å; I147-I181 HydrophobicContact CG2-CD1 3.52Å; I147-I181 HydrophobicContact CG2-CG1 3.78Å; G148-I181 WeakPolarHBondContact O-CA 3.44Å; P150-I181 VanDerWaalsContact CD-N 3.34Å; F176-I181 HydrophobicContact CE1-CG2 4.27Å; N178-I181 HydrophobicContact CB-CG2 4.22Å; N178-I181 PolarHBondContact N-O 2.76Å | ||
| 182 | F | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 10% | 0.101 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 152.6 | 164.6 | 74.9 | -99.6 | 0 | 0 | 0 | 109.8 | I147 G148 S149 P150 I155 F176 | I147-F182 WeakPolarHBondContact CA-O 3.02Å; G148-F182 VanDerWaalsContact CA-CE1 3.48Å; G148-F182 VanDerWaalsContact CA-CZ 3.46Å; G148-F182 PolarHBondContact N-O 2.7Å; G148-F182 WeakPolarHBondContact O-CD1 2.77Å; G148-F182 PolarHBondContact O-N 2.91Å; S149-F182 VanDerWaalsContact O-CE1 3.3Å; S149-F182 WeakPolarHBondContact O-CE1 3.43Å; P150-F182 HydrophobicContact CB-CD1 4.5Å; I155-F182 HydrophobicContact CD1-CD2 4.39Å; I155-F182 HydrophobicContact CD1-CE2 3.27Å; I155-F182 HydrophobicContact CD1-CZ 3.57Å; I155-F182 HydrophobicContact CG1-CE2 3.7Å; I155-F182 HydrophobicContact CG1-CZ 3.67Å; I155-F182 HydrophobicContact CG2-CZ 4.11Å; F176-F182 CarbonylContact O-C 3.51Å; F176-F182 VanDerWaalsContact O-CA 3.29Å; F176-F182 WeakPolarHBondContact O-CA 3.1Å |
| 183 | A | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L101 L105 H146 I147 I175 F176 | L101-A183 HydrophobicContact CD2-CB 4.11Å; L105-A183 HydrophobicContact CD1-CB 3.32Å; H146-A183 CarbonylContact O-C 3.49Å; H146-A183 WeakPolarHBondContact O-CA 3.35Å; I147-A183 HydrophobicContact CG1-CB 4.21Å; I175-A183 WeakPolarHBondContact CA-O 3.44Å; F176-A183 PolarHBondContact N-O 2.93Å; F176-A183 PolarHBondContact O-N 3.1Å |
| 184 | V | 96.3 | Very high | 93 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.2 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | V145 H146 I157 I175 I186 | V145-V184 CarbonylContact C-O 3.59Å; V145-V184 WeakPolarHBondContact CA-O 3.46Å; H146-V184 HydrophobicContact CB-CB 4.34Å; H146-V184 PolarHBondContact N-O 2.93Å; H146-V184 PolarHBondContact O-N 2.83Å; I157-V184 HydrophobicContact CD1-CB 3.73Å; I157-V184 HydrophobicContact CD1-CG1 3.91Å; I157-V184 HydrophobicContact CD1-CG2 3.83Å; I175-V184 HydrophobicContact CG1-CG1 4.27Å; I175-V184 HydrophobicContact CG1-CG2 4.11Å; I175-V184 HydrophobicContact CG2-CG2 4.3Å; V184-I186 HydrophobicContact CG1-CD1 4.49Å; V184-I186 HydrophobicContact CG1-CG1 4.26Å |
| 185 | G | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q144 S173 A174 | Q144-G185 WeakPolarHBondContact O-CA 3.42Å; S173-G185 VanDerWaalsContact CA-O 3.23Å; S173-G185 WeakPolarHBondContact CA-O 3.46Å; A174-G185 PolarHBondContact N-O 2.86Å; A174-G185 PolarHBondContact O-N 2.88Å |
| 186 | I | 97.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 130.5 | 176.5 | -57.3 | 166.2 | 0 | 0 | 0 | 108.1 | V143 Q144 I157 A172 V184 | V143-I186 WeakPolarHBondContact CA-O 2.83Å; Q144-I186 HydrophobicContact CB-CB 4.35Å; Q144-I186 PolarHBondContact N-O 3.44Å; Q144-I186 PolarHBondContact O-N 3.27Å; I157-I186 HydrophobicContact CG2-CD1 3.79Å; A172-I186 WeakPolarHBondContact O-CA 3.44Å; V184-I186 HydrophobicContact CG1-CD1 4.49Å; V184-I186 HydrophobicContact CG1-CG1 4.26Å |
| 187 | I | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.7 | 177.4 | -58.2 | -172.1 | 0 | 0 | 0 | 108.7 | L93 I97 L126 V130 F141 V142 V143 Y171 A172 | L93-I187 HydrophobicContact CD1-CG2 4.47Å; I97-I187 HydrophobicContact CD1-CB 4.12Å; I97-I187 HydrophobicContact CD1-CD1 3.82Å; I97-I187 HydrophobicContact CD1-CG1 3.67Å; I97-I187 HydrophobicContact CG1-CD1 3.47Å; I97-I187 VanDerWaalsContact CG1-CD1 3.47Å; I97-I187 HydrophobicContact CG1-CG1 3.84Å; L126-I187 HydrophobicContact CB-CD1 4.23Å; L126-I187 HydrophobicContact CD2-CD1 4.38Å; V130-I187 HydrophobicContact CG2-CD1 3.57Å; V130-I187 HydrophobicContact CG2-CG2 4.41Å; F141-I187 HydrophobicContact CD1-CG2 4.49Å; V142-I187 CarbonylContact O-C 3.54Å; V142-I187 WeakPolarHBondContact O-CA 3.19Å; V143-I187 HydrophobicContact CG1-CG1 4.28Å; V143-I187 HydrophobicContact CG2-CD1 4.33Å; V143-I187 HydrophobicContact CG2-CG1 4.14Å; V143-I187 HydrophobicContact CG2-CG2 4.42Å; Y171-I187 CarbonylContact C-O 3.07Å; Y171-I187 WeakPolarHBondContact CA-O 3.41Å; A172-I187 PolarHBondContact N-O 3.12Å; A172-I187 PolarHBondContact O-N 3.19Å |
| 188 | H | 95.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127.2 | 167.6 | -58 | -87.3 | 0 | 0 | 0 | 108.9 | F141 V142 W163 | F141-H188 WeakPolarHBondContact CA-O 3.41Å; V142-H188 HydrophobicContact CB-CB 4.23Å; V142-H188 PolarHBondContact N-O 3.32Å; V142-H188 PolarHBondContact O-N 3.08Å; W163-H188 AromaticContact CZ3-CE1 3.85Å; W163-H188 AromaticContact CZ3-ND1 3.43Å; W163-H188 WeakPolarHBondContact CZ3-ND1 3.25Å |
| 189 | A | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | I88 L93 Y139 F141 D169 T170 | I88-A189 HydrophobicContact CD1-CB 3.94Å; L93-A189 HydrophobicContact CD1-CB 4.31Å; Y139-A189 HydrophobicContact CD1-CB 4.15Å; F141-A189 HydrophobicContact CD1-CB 3.77Å; F141-A189 HydrophobicContact CE1-CB 3.61Å; D169-A189 WeakPolarHBondContact CA-O 3.34Å; T170-A189 HydrophobicContact CG2-CB 3.88Å; T170-A189 PolarHBondContact N-O 2.72Å; T170-A189 PolarHBondContact O-N 2.98Å |
| 190 | V | 92.7 | Very high | 92.4 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 36% | 0.364 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.7 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | Y139 K140 D169 | Y139-V190 CarbonylContact C-O 3.47Å; Y139-V190 WeakPolarHBondContact CA-O 3.05Å; K140-V190 PolarHBondContact N-O 3.41Å; K140-V190 PolarHBondContact O-N 3.14Å; D169-V190 WeakPolarHBondContact OD1-CA 3.24Å |
| 191 | Y | 91.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.8 | 179.5 | 178.5 | -91.8 | 0 | 0 | 0 | 110.4 | R79 I80 Q81 P82 R138 Y139 M167 D169 | R79-Y191 PolarHBondContact O-OH 3.05Å; I80-Y191 WeakPolarHBondContact O-CE1 3.45Å; Q81-Y191 VanDerWaalsContact C-OH 3.23Å; Q81-Y191 PolarHBondContact N-OH 2.85Å; Q81-Y191 PolarHBondContact O-OH 2.94Å; Q81-Y191 VanDerWaalsContact O-OH 3.08Å; P82-Y191 HydrophobicContact CB-CD2 3.91Å; P82-Y191 HydrophobicContact CB-CE2 3.76Å; P82-Y191 HydrophobicContact CG-CD2 4.1Å; P82-Y191 HydrophobicContact CG-CE2 4.24Å; R138-Y191 HydrophobicContact CB-CD2 4.46Å; R138-Y191 HydrophobicContact CB-CE2 3.95Å; R138-Y191 PolarHBondContact NH1-OH 3.33Å; R138-Y191 PolarHBondContact NH2-OH 3.41Å; R138-Y191 WeakPolarHBondContact O-CD2 3.33Å; Y139-Y191 HydrophobicContact CD2-CD2 4.08Å; Y139-Y191 HydrophobicContact CE1-CD2 4.28Å; Y139-Y191 AromaticContact CE2-CD2 3.78Å; Y139-Y191 HydrophobicContact CE2-CD2 3.78Å; Y139-Y191 AromaticContact CZ-CD2 3.89Å; M167-Y191 WeakPolarHBondContact O-CB 3.48Å; D169-Y191 PolarHBondContact OD1-N 2.6Å |
| 192 | F | 84.7 | Confident | 92.2 | Very high | 106 Ų | 106 | 31.7 Ų | 31.7 | 47% | 0.465 | 15% | 0.152 | S | C | . | . | trans | -134.6 | 140 | -174.5 | 180 | -105.9 | 0 | 0 | 0 | 110.8 | R138 K140 | R138-F192 WeakPolarHBondContact CB-O 3.37Å; R138-F192 PolarHBondContact O-N 3.41Å; K140-F192 HydrophobicContact CD-CB 3.96Å; K140-F192 HydrophobicContact CD-CD1 4.37Å; K140-F192 HydrophobicContact CD-CD2 3.98Å; K140-F192 HydrophobicContact CD-CG 3.82Å; K140-F192 VanDerWaalsContact CE-CD2 3.45Å; K140-F192 HydrophobicContact CG-CB 3.9Å; K140-F192 HydrophobicContact CG-CG 4.15Å | ||
| 193 | E | 70.4 | Confident | 91.9 | Very high | 122 Ų | 122 | 32.5 Ų | 32.5 | 57% | 0.57 | 16% | 0.157 | S | C | * | . | trans | -72.6 | 0 | 178.5 | -174.6 | 169.2 | -150.9 | 0 | 0 | 114 | Y78 | Y78-E193 VanDerWaalsContact CD1-OE1 3.25Å; Y78-E193 WeakPolarHBondContact CD1-OE1 3.49Å |
Retrieved 193 of 193 residues in 33.7 ms
(Link to these results)