| 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 | 40.4 | Very low | 34.6 | Very low | 251 Ų | 251 | 151.9 Ų | 151.9 | 100% | 1.236 | 83% | 0.829 | S | S | * | * | 0 | 102.1 | 0 | -82.9 | 154.6 | 111.3 | 0 | 0 | 108 | |||||
| 2 | G | 36.8 | Very low | 34 | Very low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -85.7 | 158 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3 | K | 34.9 | Very low | 33.5 | Very low | 213 Ų | 213 | 142.9 Ų | 142.9 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -162.8 | 105.8 | 141.5 | -102.6 | 169.3 | -171.5 | -172.9 | 0 | 108.4 | ||||
| 4 | S | 34.4 | Very low | 33 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 146.4 | 150.1 | 175.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 5 | L | 38.1 | Very low | 32.6 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -159.6 | 108 | 144.7 | -102.6 | 161.8 | 0 | 0 | 0 | 108.6 | ||||
| 6 | S | 34.8 | Very low | 32.4 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 57% | 0.573 | 81% | 0.805 | S | S | * | * | trans | -78.8 | 151.4 | 166.5 | 44.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | H | 33 | Very low | 32.1 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | -169.8 | 124 | 123.2 | -116.4 | -89.9 | 0 | 0 | 0 | 113.7 | |||||
| 8 | L | 31.6 | Very low | 31.8 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -30.4 | 174.7 | 158.4 | -81.1 | 132.9 | 0 | 0 | 0 | 118.7 | ||||
| 9 | P | 38.9 | Very low | 31.6 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | cis | -142.1 | -176.2 | 21.1 | 30.4 | -4.3 | 0 | 0 | 0 | 118.7 | ||||
| 10 | L | 30.2 | Very low | 31.5 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -89.1 | 146.1 | -178 | -165.1 | 105.4 | 0 | 0 | 0 | 113.4 | ||||
| 11 | H | 28 | Very low | 31.4 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -169 | 112.9 | 149.7 | -141.9 | -90.3 | 0 | 0 | 0 | 108.7 | ||||
| 12 | S | 27.4 | Very low | 30.7 | Very low | 80 Ų | 80 | 140 Ų | 140 | 56% | 0.559 | 79% | 0.788 | S | S | * | * | 53.6 | 110.4 | 78.7 | -158.3 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 13 | S | 26.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | 54.9 | 119.7 | 134.1 | -37.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 14 | K | 27.2 | Very low | 30 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | 55.9 | 122.6 | 127.4 | -150.8 | -176.9 | -176.7 | -176.8 | 0 | 120.3 | |||||
| 15 | E | 27.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 171.8 | 151.2 | 118.1 | -93.4 | 177.8 | -174.6 | 0 | 0 | 112.9 | |||||
| 16 | D | 28.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -70.6 | 149.7 | -174.9 | -56.4 | -69 | 0 | 0 | 0 | 114 | ||||
| 17 | A | 27.7 | Very low | 29.3 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -165.8 | 130.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 18 | Y | 27.7 | Very low | 29.1 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -84.3 | 149.8 | 176.1 | -120.8 | -106.1 | 0 | 0 | 0 | 111.6 | ||||
| 19 | D | 28 | Very low | 28.9 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 164.1 | 113 | 139.6 | -89.2 | -15.6 | 0 | 0 | 0 | 108.2 | ||||
| 20 | G | 28.1 | Very low | 28.6 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | 94.6 | 129.7 | 83.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 21 | V | 29.5 | Very low | 28.6 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | cis | -176.6 | 140.4 | 35.2 | 139.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 22 | T | 26.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 55.5 | 128.8 | 150.7 | 60.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 23 | S | 29.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | -164.5 | 123.1 | 95 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 24 | E | 27.7 | Very low | 28.9 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | trans | -88.9 | 170.7 | 171.7 | -71.7 | -167 | 144.7 | 0 | 0 | 112.4 | ||||
| 25 | N | 30.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 91.1 | 133.1 | 160 | -57.5 | -34 | 0 | 0 | 0 | 116 | ||||
| 26 | M | 29.9 | Very low | 29.3 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | cis | -159.4 | 147.1 | 43.7 | -155.9 | 159.3 | 174 | 0 | 0 | 113.1 | ||||
| 27 | R | 31 | Very low | 29.4 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -99 | 143.7 | 179.4 | -140.1 | -175.7 | -173.4 | -170.8 | 2.1 | 109.7 | ||||
| 28 | N | 30.1 | Very low | 29.6 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | 59.6 | 135 | 148.3 | -63.4 | -5.1 | 0 | 0 | 0 | 122 | ||||
| 29 | G | 27.4 | Very low | 30 | Very low | 83 Ų | 83 | 144.6 Ų | 144.6 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -148.3 | 124 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | L | 32 | Very low | 30.3 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | -92.3 | 143.4 | -176.4 | -101.8 | 91.5 | 0 | 0 | 0 | 112.7 | ||||
| 31 | V | 31.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | 65.8 | 133.2 | 126.2 | -177.9 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 32 | N | 29 | Very low | 31.3 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | 75.3 | 123.9 | 153.4 | -80.6 | 4.6 | 0 | 0 | 0 | 121.8 | ||||
| 33 | S | 29.1 | Very low | 32.2 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | -177.1 | 135 | 85.5 | -84.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 34 | E | 29 | Very low | 32.8 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | 72.2 | 103.1 | 137.4 | -63.2 | 178 | 176.3 | 0 | 0 | 123.6 | ||||
| 35 | V | 31.5 | Very low | 34 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | 32.9 | 118.4 | 124 | -170 | 0 | 0 | 0 | 0 | 120 | |||||
| 36 | H | 30.8 | Very low | 35 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | -157.9 | 135 | 123.6 | -117.4 | -84.2 | 0 | 0 | 0 | 111.6 | |||||
| 37 | N | 31.3 | Very low | 35.9 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -58.6 | 142.2 | 176.9 | -74.7 | -54.3 | 0 | 0 | 0 | 112.6 | ||||
| 38 | E | 32.8 | Very low | 36.6 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | 172.8 | 132.8 | 99.6 | -86.9 | -165.7 | 157.2 | 0 | 0 | 111.1 | |||||
| 39 | D | 35.4 | Very low | 37.3 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | 32.4 | 125.5 | 146.6 | -140 | 1.3 | 0 | 0 | 0 | 121.6 | ||||
| 40 | G | 34.6 | Very low | 38.4 | Very low | 63 Ų | 63 | 144.3 Ų | 144.3 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | 130.6 | 117.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 41 | R | 37.4 | Very low | 39.6 | Very low | 243 Ų | 243 | 141.7 Ų | 141.7 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | 81.8 | 92.3 | 149 | -64 | 177.6 | 173 | 167.7 | -1.5 | 118.6 | ||||
| 42 | N | 41.3 | Very low | 40.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | 29.1 | 108 | 113.1 | -125.2 | 16.8 | 0 | 0 | 0 | 117.3 | |||||
| 43 | G | 45.3 | Very low | 42 | Very low | 74 Ų | 74 | 143.9 Ų | 143.9 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 82.6 | 97.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 44 | D | 41.1 | Very low | 43.4 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -135.1 | 74.6 | 154.9 | -149 | 6.4 | 0 | 0 | 0 | 109.7 | ||||
| 45 | V | 53.1 | Low | 44.6 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -91 | 112.7 | 159.5 | 176.6 | 0 | 0 | 0 | 0 | 104.9 | Q47 | V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.32Å | ||
| 46 | S | 51.6 | Low | 45.7 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | trans | -53.9 | 96.1 | 171.9 | 40 | 0 | 0 | 0 | 0 | 109.8 | F48 | S46-F48 WeakPolarHBondContact O-CD2 3.17Å; S46-F48 PolarHBondContact O-N 3.49Å | ||
| 47 | Q | 47.8 | Very low | 47 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -79.8 | 88.7 | -177.5 | -170.2 | 139.1 | -23.2 | 0 | 0 | 108.5 | V45 | V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.32Å | ||
| 48 | F | 46.2 | Very low | 48.5 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 75% | 0.746 | 74% | 0.739 | S | S | * | * | trans | -62.1 | 125.8 | 166.1 | -65.4 | -84.1 | 0 | 0 | 0 | 108.2 | S46 Y50 | S46-F48 WeakPolarHBondContact O-CD2 3.17Å; S46-F48 PolarHBondContact O-N 3.49Å; F48-Y50 PolarHBondContact O-N 3.31Å; F48-Y50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | P | 45.6 | Very low | 50.2 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | trans | -62.8 | 117 | 179.7 | 23.2 | -30.1 | 0 | 0 | 0 | 108.8 | V51 | P49-V51 WeakPolarHBondContact O-CG2 3.36Å; P49-V51 PolarHBondContact O-N 3.3Å; P49-V51 VanDerWaalsContact O-N 3.16Å | ||
| 50 | Y | 51.3 | Low | 51.7 | Low | 161 Ų | 161 | 133.7 Ų | 133.7 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | -64.6 | 112.7 | 169.7 | 177.9 | -105.9 | 0 | 0 | 0 | 107.8 | F48 E52 G66 | F48-Y50 PolarHBondContact O-N 3.31Å; F48-Y50 VanDerWaalsContact O-N 3.08Å; Y50-E52 HydrophobicContact CD1-CG 3.98Å; Y50-E52 HydrophobicContact CE1-CG 3.3Å; Y50-G66 PolarHBondContact OH-O 3.17Å | ||
| 51 | V | 56.2 | Low | 53 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | trans | -98.7 | 114.3 | 176.5 | -135.8 | 0 | 0 | 0 | 0 | 107.7 | P49 F53 | P49-V51 WeakPolarHBondContact O-CG2 3.36Å; P49-V51 PolarHBondContact O-N 3.3Å; P49-V51 VanDerWaalsContact O-N 3.16Å; V51-F53 HydrophobicContact CB-CD2 4.27Å; V51-F53 HydrophobicContact CB-CE2 4.15Å; V51-F53 PolarHBondContact O-N 3.37Å | ||
| 52 | E | 57.8 | Low | 54.4 | Low | 122 Ų | 122 | 127.2 Ų | 127.2 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | trans | -71.7 | 94.5 | 170.3 | -75.1 | 179.5 | 166 | 0 | 0 | 109 | Y50 T54 | Y50-E52 HydrophobicContact CD1-CG 3.98Å; Y50-E52 HydrophobicContact CE1-CG 3.3Å; E52-T54 PolarHBondContact O-N 3.1Å | ||
| 53 | F | 52.4 | Low | 55.7 | Low | 182 Ų | 182 | 123.1 Ų | 123.1 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | trans | -72.3 | 77.2 | 164.6 | -82.9 | -90 | 0 | 0 | 0 | 108.9 | V51 G55 | V51-F53 HydrophobicContact CB-CD2 4.27Å; V51-F53 HydrophobicContact CB-CE2 4.15Å; V51-F53 PolarHBondContact O-N 3.37Å; F53-G55 PolarHBondContact O-N 3.41Å | ||
| 54 | T | 59 | Low | 56.7 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -73.6 | 70.2 | 164.9 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | E52 | E52-T54 PolarHBondContact O-N 3.1Š| ||
| 55 | G | 53.7 | Low | 58 | Low | 44 Ų | 44 | 120.4 Ų | 120.4 | 45% | 0.454 | 65% | 0.646 | S | S | . | * | trans | -62.5 | 144.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | F53 D57 S58 | F53-G55 PolarHBondContact O-N 3.41Å; G55-D57 PolarHBondContact O-N 2.95Å; G55-S58 PolarHBondContact O-N 2.91Å; G55-S58 PolarHBondContact O-OG 2.95Å; G55-S58 VanDerWaalsContact O-OG 3.07Å | ||
| 56 | R | 56 | Low | 58.8 | Low | 255 Ų | 255 | 115.3 Ų | 115.3 | 96% | 0.962 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -11.6 | -174 | -103.4 | 177.3 | -173.8 | 167.5 | 2.1 | 116.4 | ||
| 57 | D | 56.9 | Low | 59.7 | Low | 159 Ų | 159 | 115.5 Ų | 115.5 | 85% | 0.85 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 14.9 | 179.3 | -58.4 | -44.9 | 0 | 0 | 0 | 113.9 | G55 V59 | G55-D57 PolarHBondContact O-N 2.95Å; D57-V59 PolarHBondContact O-N 3.18Å |
| 58 | S | 63.9 | Low | 60.5 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | trans | -82.7 | 114.5 | 177.6 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | G55 | G55-S58 PolarHBondContact O-N 2.91Å; G55-S58 PolarHBondContact O-OG 2.95Å; G55-S58 VanDerWaalsContact O-OG 3.07Å | ||
| 59 | V | 68.4 | Low | 61.5 | Low | 139 Ų | 139 | 112 Ų | 112 | 84% | 0.842 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 120.9 | 171.3 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | D57 C61 | D57-V59 PolarHBondContact O-N 3.18Å; V59-C61 PolarHBondContact O-N 2.88Å |
| 60 | T | 66.4 | Low | 62.5 | Low | 92 Ų | 92 | 111 Ų | 111 | 56% | 0.564 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.4 | 177.7 | -27 | 0 | 0 | 0 | 0 | 109.8 | P62 | T60-P62 WeakPolarHBondContact O-CD 3.34Š|
| 61 | C | 61.7 | Low | 63.2 | Low | 58 Ų | 58 | 107.5 Ų | 107.5 | 39% | 0.392 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 120.8 | 179.3 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | V59 T63 C64 Q65 | V59-C61 PolarHBondContact O-N 2.88Å; C61-T63 PolarHBondContact O-N 3.38Å; C61-C64 VanDerWaalsContact CB-SG 3.56Å; C61-C64 PolarHBondContact O-N 3.15Å; C61-Q65 WeakPolarHBondContact O-CA 3.25Å; C61-Q65 PolarHBondContact O-N 3.25Å |
| 62 | P | 67.1 | Low | 63.5 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 73% | 0.734 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -24.6 | -175.1 | 24.4 | -33 | 0 | 0 | 0 | 112.8 | T60 | T60-P62 WeakPolarHBondContact O-CD 3.34Š|
| 63 | T | 67.4 | Low | 63.7 | Low | 85 Ų | 85 | 111.7 Ų | 111.7 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | -36.6 | -176.5 | -44.5 | 0 | 0 | 0 | 0 | 113.1 | C61 L78 | C61-T63 PolarHBondContact O-N 3.38Å; T63-L78 HydrophobicContact CG2-CD2 3.62Å |
| 64 | C | 67.5 | Low | 64 | Low | 27 Ų | 27 | 108 Ų | 108 | 18% | 0.182 | 60% | 0.602 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -112.6 | -1.4 | 179.5 | 67 | 0 | 0 | 0 | 0 | 113.4 | C61 G66 T67 | C61-C64 VanDerWaalsContact CB-SG 3.56Å; C61-C64 PolarHBondContact O-N 3.15Å; C64-G66 PolarHBondContact O-N 3.44Å; C64-T67 WeakPolarHBondContact O-CB 3.34Å; C64-T67 PolarHBondContact O-N 3.02Å; C64-T67 PolarHBondContact O-OG1 3.25Å |
| 65 | Q | 69.1 | Low | 63.9 | Low | 153 Ų | 153 | 108.1 Ų | 108.1 | 72% | 0.715 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49 | 27.9 | -178 | -60 | -178.8 | 5.5 | 0 | 0 | 113.9 | C61 T67 | C61-Q65 WeakPolarHBondContact O-CA 3.25Å; C61-Q65 PolarHBondContact O-N 3.25Å; Q65-T67 VanDerWaalsContact C-N 3.32Å; Q65-T67 PolarHBondContact O-N 3.48Å |
| 66 | G | 68.8 | Low | 64 | Low | 16 Ų | 16 | 114 Ų | 114 | 17% | 0.165 | 62% | 0.616 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 86.8 | -12 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y50 C64 G68 | Y50-G66 PolarHBondContact OH-O 3.17Å; C64-G66 PolarHBondContact O-N 3.44Å; G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 2.74Å |
| 67 | T | 70.2 | Confident | 64 | Low | 87 Ų | 87 | 108.4 Ų | 108.4 | 53% | 0.534 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -78.4 | -10.2 | -174.5 | 67 | 0 | 0 | 0 | 0 | 115 | C64 Q65 R69 | C64-T67 WeakPolarHBondContact O-CB 3.34Å; C64-T67 PolarHBondContact O-N 3.02Å; C64-T67 PolarHBondContact O-OG1 3.25Å; Q65-T67 VanDerWaalsContact C-N 3.32Å; Q65-T67 PolarHBondContact O-N 3.48Å; T67-R69 PolarHBondContact O-N 3.46Å |
| 68 | G | 65.9 | Low | 64.1 | Low | 65 Ų | 65 | 105 Ų | 105 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 65.3 | 5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G66 | G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 2.74Å |
| 69 | R | 65.8 | Low | 63.9 | Low | 208 Ų | 208 | 107.1 Ų | 107.1 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | trans | -119.4 | 135.7 | 179.4 | -64.9 | -176.8 | 179.1 | 175.8 | 0.5 | 110 | T67 | T67-R69 PolarHBondContact O-N 3.46Š| ||
| 70 | I | 66.9 | Low | 63.7 | Low | 90 Ų | 90 | 104.7 Ų | 104.7 | 46% | 0.462 | 59% | 0.587 | S | S | . | * | trans | -109.5 | 127.2 | 177.9 | -59.9 | 170 | 0 | 0 | 0 | 107.7 | R72 L78 | I70-R72 PolarHBondContact O-N 3.03Å; I70-L78 HydrophobicContact CG2-CD1 4.28Å; I70-L78 HydrophobicContact CG2-CD2 4.15Å | ||
| 71 | P | 66.6 | Low | 63.4 | Low | 87 Ų | 87 | 107.7 Ų | 107.7 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | trans | -59 | 128.4 | 177.9 | -20.8 | 30.8 | 0 | 0 | 0 | 111.6 | G73 | P71-G73 PolarHBondContact O-N 3.11Š| ||
| 72 | R | 61.5 | Low | 63.4 | Low | 238 Ų | 238 | 110.2 Ų | 110.2 | 90% | 0.898 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 120.7 | 176.8 | -63.6 | -140.7 | 175.6 | -178.1 | -0.5 | 109.4 | I70 | I70-R72 PolarHBondContact O-N 3.03Š|
| 73 | G | 62.3 | Low | 62.9 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 72% | 0.722 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.5 | -14 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P71 | P71-G73 PolarHBondContact O-N 3.11Š|
| 74 | Q | 58.8 | Low | 62.3 | Low | 103 Ų | 103 | 116.1 Ų | 116.1 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | trans | -114.9 | 26.7 | 177.5 | -152 | 171.6 | 1.4 | 0 | 0 | 112.4 | N76 Q77 | Q74-N76 VanDerWaalsContact C-N 3.33Å; Q74-N76 PolarHBondContact O-N 3.37Å; Q74-Q77 HydrophobicContact CG-CB 4.07Å; Q74-Q77 PolarHBondContact O-N 3.32Å | ||
| 75 | E | 57.6 | Low | 61.7 | Low | 118 Ų | 118 | 119.9 Ų | 119.9 | 55% | 0.551 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -67.3 | -36.6 | -173.8 | -33.9 | -172.4 | -163.2 | 0 | 0 | 111.5 | Q77 L78 | E75-Q77 PolarHBondContact O-N 2.87Å; E75-L78 WeakPolarHBondContact O-CB 3.28Å; E75-L78 PolarHBondContact O-N 3.03Å |
| 76 | N | 54.4 | Low | 61.4 | Low | 168 Ų | 168 | 115.1 Ų | 115.1 | 90% | 0.898 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -73.9 | -9.1 | -176.9 | -53.9 | -17.9 | 0 | 0 | 0 | 113.3 | Q74 | Q74-N76 VanDerWaalsContact C-N 3.33Å; Q74-N76 PolarHBondContact O-N 3.37Å |
| 77 | Q | 55.9 | Low | 60.8 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 64% | 0.64 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -106.3 | -0.7 | 179.6 | -155.1 | 174.2 | 6.3 | 0 | 0 | 112.3 | Q74 E75 V79 | Q74-Q77 HydrophobicContact CG-CB 4.07Å; Q74-Q77 PolarHBondContact O-N 3.32Å; E75-Q77 PolarHBondContact O-N 2.87Å; Q77-V79 PolarHBondContact O-N 3.43Å |
| 78 | L | 59.3 | Low | 60.2 | Low | 86 Ų | 86 | 128.8 Ų | 128.8 | 45% | 0.45 | 67% | 0.666 | S | S | . | * | trans | -75 | 88.4 | 175.9 | -64.2 | 165.4 | 0 | 0 | 0 | 109.3 | T63 I70 E75 | T63-L78 HydrophobicContact CG2-CD2 3.62Å; I70-L78 HydrophobicContact CG2-CD1 4.28Å; I70-L78 HydrophobicContact CG2-CD2 4.15Å; E75-L78 WeakPolarHBondContact O-CB 3.28Å; E75-L78 PolarHBondContact O-N 3.03Å | ||
| 79 | V | 59.8 | Low | 59.7 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | trans | -95.3 | 119.7 | 169.6 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | Q77 L81 | Q77-V79 PolarHBondContact O-N 3.43Å; V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L81 HydrophobicContact CG1-CD2 4.2Å; V79-L81 PolarHBondContact O-N 3.18Å | ||
| 80 | A | 64.4 | Low | 59.3 | Low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | trans | -66.1 | 97.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | I82 | A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.73Å | ||
| 81 | L | 60.8 | Low | 59.2 | Low | 155 Ų | 155 | 128.3 Ų | 128.3 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | trans | -75.5 | 89.5 | 171.4 | -66.3 | 173.8 | 0 | 0 | 0 | 108 | V79 P83 | V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L81 HydrophobicContact CG1-CD2 4.2Å; V79-L81 PolarHBondContact O-N 3.18Å; L81-P83 WeakPolarHBondContact O-CD 3.44Å | ||
| 82 | I | 61.5 | Low | 59.1 | Low | 110 Ų | 110 | 134.9 Ų | 134.9 | 56% | 0.564 | 67% | 0.668 | S | S | * | * | trans | -73.9 | 114.2 | 169 | -58.5 | 171.9 | 0 | 0 | 0 | 106.4 | A80 Y84 D86 L89 | A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.73Å; I82-Y84 PolarHBondContact O-N 2.84Å; I82-D86 HydrophobicContact CG2-CB 4.43Å; I82-L89 HydrophobicContact CG2-CD1 4.37Å; I82-L89 HydrophobicContact CG2-CD2 4.12Å | ||
| 83 | P | 56.6 | Low | 59.7 | Low | 75 Ų | 75 | 132 Ų | 132 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | trans | -61.3 | 133.7 | -178.8 | 22.5 | -29.1 | 0 | 0 | 0 | 109.7 | L81 S85 D86 | L81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-S85 PolarHBondContact O-N 2.94Å; P83-D86 HydrophobicContact CG-CB 4.2Å; P83-D86 WeakPolarHBondContact O-CB 3.45Å; P83-D86 PolarHBondContact O-N 2.89Å | ||
| 84 | Y | 54.1 | Low | 60.6 | Low | 248 Ų | 248 | 132.4 Ų | 132.4 | 97% | 0.973 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -18.7 | 179.5 | -157 | -92.1 | 0 | 0 | 0 | 112.7 | I82 | I82-Y84 PolarHBondContact O-N 2.84Š|
| 85 | S | 56.1 | Low | 61.7 | Low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 12.6 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | P83 Q87 | P83-S85 PolarHBondContact O-N 2.94Å; S85-Q87 PolarHBondContact O-N 2.86Å; S85-Q87 VanDerWaalsContact O-N 3.12Å |
| 86 | D | 63 | Low | 63 | Low | 54 Ų | 54 | 134.2 Ų | 134.2 | 29% | 0.289 | 65% | 0.654 | S | S | . | * | trans | -60.5 | 115.6 | 177 | -167.7 | -21.5 | 0 | 0 | 0 | 110.9 | I82 P83 R88 L89 R90 | I82-D86 HydrophobicContact CG2-CB 4.43Å; P83-D86 HydrophobicContact CG-CB 4.2Å; P83-D86 WeakPolarHBondContact O-CB 3.45Å; P83-D86 PolarHBondContact O-N 2.89Å; D86-R88 PolarHBondContact O-N 2.83Å; D86-R88 WeakPolarHBondContact OD1-CB 3.31Å; D86-R88 PolarHBondContact OD1-N 3.15Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 HydrophobicContact CB-CD1 4.41Å; D86-L89 PolarHBondContact O-N 3.44Å; D86-R90 PolarHBondContact O-N 2.84Å | ||
| 87 | Q | 55.5 | Low | 64.7 | Low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -20 | -176.5 | -163.1 | 135.2 | -26 | 0 | 0 | 112.7 | S85 | S85-Q87 PolarHBondContact O-N 2.86Å; S85-Q87 VanDerWaalsContact O-N 3.12Å |
| 88 | R | 57.3 | Low | 66.4 | Low | 232 Ų | 232 | 130.7 Ų | 130.7 | 88% | 0.875 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -27.8 | 173.2 | -65.5 | -176 | 75.2 | -171.5 | 3.3 | 112.7 | D86 R90 | D86-R88 PolarHBondContact O-N 2.83Å; D86-R88 WeakPolarHBondContact OD1-CB 3.31Å; D86-R88 PolarHBondContact OD1-N 3.15Å; R88-R90 VanDerWaalsContact C-N 3.35Å |
| 89 | L | 56.2 | Low | 67.9 | Low | 116 Ų | 116 | 131.5 Ų | 131.5 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -9.4 | 175.3 | -93.7 | 73.7 | 0 | 0 | 0 | 112.8 | I82 D86 P91 | I82-L89 HydrophobicContact CG2-CD1 4.37Å; I82-L89 HydrophobicContact CG2-CD2 4.12Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 HydrophobicContact CB-CD1 4.41Å; D86-L89 PolarHBondContact O-N 3.44Å; L89-P91 WeakPolarHBondContact O-CD 3.37Å; L89-P91 VanDerWaalsContact O-N 3.14Å |
| 90 | R | 56.5 | Low | 69.6 | Low | 178 Ų | 178 | 128.5 Ų | 128.5 | 67% | 0.672 | 62% | 0.621 | S | S | * | * | trans | -69.1 | 109.7 | -179.4 | -165 | 173.1 | -176.3 | 179 | 1.6 | 109.7 | D86 R88 R92 | D86-R90 PolarHBondContact O-N 2.84Å; R88-R90 VanDerWaalsContact C-N 3.35Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.03Å | ||
| 91 | P | 64.5 | Low | 71.1 | Confident | 60 Ų | 60 | 127.1 Ų | 127.1 | 39% | 0.39 | 61% | 0.607 | S | S | . | * | trans | -82.4 | 75.8 | -172.5 | 28.6 | -22 | 0 | 0 | 0 | 109.4 | L89 R93 T94 K95 | L89-P91 WeakPolarHBondContact O-CD 3.37Å; L89-P91 VanDerWaalsContact O-N 3.14Å; P91-R93 PolarHBondContact O-N 2.66Å; P91-T94 VanDerWaalsContact CB-OG1 3.27Å; P91-T94 WeakPolarHBondContact CB-OG1 3.42Å; P91-K95 PolarHBondContact O-N 3.2Å | ||
| 92 | R | 65.5 | Low | 72.8 | Confident | 225 Ų | 225 | 123 Ų | 123 | 85% | 0.849 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -30.5 | -178.4 | -166.3 | 175.6 | -179.7 | 174.9 | 0 | 111.7 | R90 | R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.03Å |
| 93 | R | 73.6 | Confident | 74.5 | Confident | 178 Ų | 178 | 124 Ų | 124 | 67% | 0.672 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -36.5 | 178 | -61.9 | -68.8 | -174.9 | 177.4 | 1 | 112.8 | P91 K95 L96 Y97 | P91-R93 PolarHBondContact O-N 2.66Å; R93-K95 VanDerWaalsContact C-N 3.32Å; R93-K95 PolarHBondContact O-N 2.99Å; R93-L96 WeakPolarHBondContact O-CB 3.44Å; R93-L96 PolarHBondContact O-N 3.46Å; R93-Y97 HydrophobicContact CB-CD2 4.19Å; R93-Y97 HydrophobicContact CB-CE2 3.7Å; R93-Y97 WeakPolarHBondContact O-CD2 3.22Å; R93-Y97 PolarHBondContact O-N 2.85Å |
| 94 | T | 80.9 | Confident | 76.4 | Confident | 78 Ų | 78 | 124.4 Ų | 124.4 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.5 | -36.9 | -179.5 | -36.5 | 0 | 0 | 0 | 0 | 112.6 | P91 L96 Y97 V98 | P91-T94 VanDerWaalsContact CB-OG1 3.27Å; P91-T94 WeakPolarHBondContact CB-OG1 3.42Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.15Å; T94-Y97 PolarHBondContact O-N 3Å; T94-V98 HydrophobicContact CG2-CG2 4.32Å; T94-V98 WeakPolarHBondContact O-CB 3.49Å; T94-V98 VanDerWaalsContact O-CG2 3.26Å; T94-V98 WeakPolarHBondContact O-CG2 3.5Å; T94-V98 PolarHBondContact O-N 3.12Å |
| 95 | K | 81.3 | Confident | 78.4 | Confident | 150 Ų | 150 | 116.4 Ų | 116.4 | 65% | 0.652 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.9 | -41.1 | 173.3 | -68.7 | -171.2 | 178.5 | -166.8 | 0 | 112.4 | P91 R93 M99 | P91-K95 PolarHBondContact O-N 3.2Å; R93-K95 VanDerWaalsContact C-N 3.32Å; R93-K95 PolarHBondContact O-N 2.99Å; K95-M99 WeakPolarHBondContact O-CB 3.38Å; K95-M99 VanDerWaalsContact O-CG 3.27Å; K95-M99 WeakPolarHBondContact O-CG 3.35Å; K95-M99 PolarHBondContact O-N 3.04Å |
| 96 | L | 85.9 | Confident | 80.4 | Confident | 109 Ų | 109 | 116.5 Ų | 116.5 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.5 | -43 | 176.5 | -176.4 | 119.8 | 0 | 0 | 0 | 111.3 | R93 T94 M99 A100 | R93-L96 WeakPolarHBondContact O-CB 3.44Å; R93-L96 PolarHBondContact O-N 3.46Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.15Å; L96-M99 PolarHBondContact O-N 3.4Å; L96-A100 WeakPolarHBondContact O-CB 3.05Å; L96-A100 PolarHBondContact O-N 2.88Å |
| 97 | Y | 89 | Confident | 82 | Confident | 153 Ų | 153 | 119 Ų | 119 | 60% | 0.6 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 177.1 | -66.9 | -57 | 0 | 0 | 0 | 112.7 | R93 T94 A100 S101 | R93-Y97 HydrophobicContact CB-CD2 4.19Å; R93-Y97 HydrophobicContact CB-CE2 3.7Å; R93-Y97 WeakPolarHBondContact O-CD2 3.22Å; R93-Y97 PolarHBondContact O-N 2.85Å; T94-Y97 PolarHBondContact O-N 3Å; Y97-A100 PolarHBondContact O-N 3.02Å; Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 3.12Å; Y97-S101 PolarHBondContact O-OG 3.45Å |
| 98 | V | 91.8 | Very high | 84 | Confident | 78 Ų | 78 | 116.5 Ų | 116.5 | 47% | 0.473 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -42.4 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | T94 S101 V102 | T94-V98 HydrophobicContact CG2-CG2 4.32Å; T94-V98 WeakPolarHBondContact O-CB 3.49Å; T94-V98 VanDerWaalsContact O-CG2 3.26Å; T94-V98 WeakPolarHBondContact O-CG2 3.5Å; T94-V98 PolarHBondContact O-N 3.12Å; V98-S101 WeakPolarHBondContact CA-OG 3.02Å; V98-S101 PolarHBondContact O-N 2.7Å; V98-S101 PolarHBondContact O-OG 2.79Å; V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.36Å; V98-V102 PolarHBondContact O-N 3.17Å |
| 99 | M | 92.3 | Very high | 85.9 | Confident | 103 Ų | 103 | 108.4 Ų | 108.4 | 51% | 0.507 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.2 | -71.2 | -57.9 | -61.6 | 0 | 0 | 111.2 | K95 L96 S101 V102 F103 | K95-M99 WeakPolarHBondContact O-CB 3.38Å; K95-M99 VanDerWaalsContact O-CG 3.27Å; K95-M99 WeakPolarHBondContact O-CG 3.35Å; K95-M99 PolarHBondContact O-N 3.04Å; L96-M99 PolarHBondContact O-N 3.4Å; M99-S101 VanDerWaalsContact C-N 3.33Å; M99-S101 PolarHBondContact O-N 3.37Å; M99-V102 PolarHBondContact O-N 3.22Å; M99-F103 HydrophobicContact CE-CE2 3.76Å; M99-F103 HydrophobicContact CE-CZ 4.29Å; M99-F103 WeakPolarHBondContact O-CD2 3.44Å; M99-F103 PolarHBondContact O-N 2.83Å |
| 100 | A | 94.4 | Very high | 87.8 | Confident | 45 Ų | 45 | 104.8 Ų | 104.8 | 37% | 0.372 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L96 Y97 V102 F103 V104 | L96-A100 WeakPolarHBondContact O-CB 3.05Å; L96-A100 PolarHBondContact O-N 2.88Å; Y97-A100 PolarHBondContact O-N 3.02Å; A100-V102 PolarHBondContact O-N 2.85Å; A100-F103 PolarHBondContact O-N 2.88Å; A100-V104 VanDerWaalsContact O-CG2 3.28Å; A100-V104 WeakPolarHBondContact O-CG2 3.27Å; A100-V104 PolarHBondContact O-N 2.88Å |
| 101 | S | 95.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 99.9 Ų | 99.9 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | Y97 V98 M99 F103 V104 C105 | Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 3.12Å; Y97-S101 PolarHBondContact O-OG 3.45Å; V98-S101 WeakPolarHBondContact CA-OG 3.02Å; V98-S101 PolarHBondContact O-N 2.7Å; V98-S101 PolarHBondContact O-OG 2.79Å; M99-S101 VanDerWaalsContact C-N 3.33Å; M99-S101 PolarHBondContact O-N 3.37Å; S101-F103 PolarHBondContact O-N 2.8Å; S101-V104 PolarHBondContact O-N 2.84Å; S101-C105 WeakPolarHBondContact O-CB 3.45Å; S101-C105 PolarHBondContact O-N 3.04Å; S101-C105 PolarHBondContact O-SG 2.91Å |
| 102 | V | 96.8 | Very high | 91 | Very high | 69 Ų | 69 | 99.3 Ų | 99.3 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | V98 M99 A100 V104 C105 L106 | V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.36Å; V98-V102 PolarHBondContact O-N 3.17Å; M99-V102 PolarHBondContact O-N 3.22Å; A100-V102 PolarHBondContact O-N 2.85Å; V102-V104 PolarHBondContact O-N 2.92Å; V102-C105 PolarHBondContact O-N 2.92Å; V102-L106 HydrophobicContact CG1-CD1 4.08Å; V102-L106 HydrophobicContact CG1-CG 4.43Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.45Å |
| 103 | F | 96.9 | Very high | 92.4 | Very high | 130 Ų | 130 | 93 Ų | 93 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 177.6 | -79.6 | -66.3 | 0 | 0 | 0 | 112.8 | M99 A100 S101 L106 L107 | M99-F103 HydrophobicContact CE-CE2 3.76Å; M99-F103 HydrophobicContact CE-CZ 4.29Å; M99-F103 WeakPolarHBondContact O-CD2 3.44Å; M99-F103 PolarHBondContact O-N 2.83Å; A100-F103 PolarHBondContact O-N 2.88Å; S101-F103 PolarHBondContact O-N 2.8Å; F103-L106 PolarHBondContact O-N 3.24Å; F103-L107 VanDerWaalsContact O-CB 3.32Å; F103-L107 WeakPolarHBondContact O-CB 3.4Å; F103-L107 PolarHBondContact O-N 3.12Å |
| 104 | V | 97.1 | Very high | 93.3 | Very high | 83 Ų | 83 | 89.2 Ų | 89.2 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | A100 S101 V102 L107 L108 | A100-V104 VanDerWaalsContact O-CG2 3.28Å; A100-V104 WeakPolarHBondContact O-CG2 3.27Å; A100-V104 PolarHBondContact O-N 2.88Å; S101-V104 PolarHBondContact O-N 2.84Å; V102-V104 PolarHBondContact O-N 2.92Å; V104-L107 PolarHBondContact O-N 3.28Å; V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.37Å; V104-L108 WeakPolarHBondContact O-CB 3.17Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.84Å |
| 105 | C | 96.9 | Very high | 93.9 | Very high | 81 Ų | 81 | 89.9 Ų | 89.9 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.2 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | S101 V102 L107 L108 S109 | S101-C105 WeakPolarHBondContact O-CB 3.45Å; S101-C105 PolarHBondContact O-N 3.04Å; S101-C105 PolarHBondContact O-SG 2.91Å; V102-C105 PolarHBondContact O-N 2.92Å; C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.27Å; C105-L108 PolarHBondContact O-N 3.14Å; C105-S109 WeakPolarHBondContact O-CB 3.18Å; C105-S109 PolarHBondContact O-N 3.4Å; C105-S109 PolarHBondContact O-OG 2.95Å |
| 106 | L | 97.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 87.5 Ų | 87.5 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 176.5 | -71.9 | 176.7 | 0 | 0 | 0 | 112.3 | V102 F103 S109 G110 | V102-L106 HydrophobicContact CG1-CD1 4.08Å; V102-L106 HydrophobicContact CG1-CG 4.43Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.45Å; F103-L106 PolarHBondContact O-N 3.24Å; L106-S109 WeakPolarHBondContact CA-OG 3.43Å; L106-S109 PolarHBondContact O-OG 2.91Å; L106-S109 VanDerWaalsContact O-OG 3.06Å; L106-G110 PolarHBondContact O-N 3.46Å |
| 107 | L | 97.1 | Very high | 94.6 | Very high | 108 Ų | 108 | 88.9 Ų | 88.9 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.2 | -46.3 | 176.7 | -176.7 | 141.9 | 0 | 0 | 0 | 110.7 | F103 V104 C105 G110 L111 | F103-L107 VanDerWaalsContact O-CB 3.32Å; F103-L107 WeakPolarHBondContact O-CB 3.4Å; F103-L107 PolarHBondContact O-N 3.12Å; V104-L107 PolarHBondContact O-N 3.28Å; C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.27Å; L107-G110 PolarHBondContact O-N 3.04Å; L107-L111 HydrophobicContact CD2-CD1 3.62Å; L107-L111 HydrophobicContact CD2-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.37Å |
| 108 | L | 96.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 84.4 Ų | 84.4 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 177.9 | -69.9 | 174.5 | 0 | 0 | 0 | 112.1 | V104 C105 L111 A112 | V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.37Å; V104-L108 WeakPolarHBondContact O-CB 3.17Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.84Å; C105-L108 PolarHBondContact O-N 3.14Å; L108-L111 PolarHBondContact O-N 3Å; L108-A112 WeakPolarHBondContact O-CB 3.26Å; L108-A112 PolarHBondContact O-N 2.88Å |
| 109 | S | 96.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 84.8 Ų | 84.8 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.1 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | C105 L106 L111 A112 V113 | C105-S109 WeakPolarHBondContact O-CB 3.18Å; C105-S109 PolarHBondContact O-N 3.4Å; C105-S109 PolarHBondContact O-OG 2.95Å; L106-S109 WeakPolarHBondContact CA-OG 3.43Å; L106-S109 PolarHBondContact O-OG 2.91Å; L106-S109 VanDerWaalsContact O-OG 3.06Å; S109-L111 PolarHBondContact O-N 3.19Å; S109-A112 PolarHBondContact O-N 2.9Å; S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 2.93Å |
| 110 | G | 96 | Very high | 94.4 | Very high | 39 Ų | 39 | 83.1 Ų | 83.1 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L106 L107 V113 F114 | L106-G110 PolarHBondContact O-N 3.46Å; L107-G110 PolarHBondContact O-N 3.04Å; G110-V113 PolarHBondContact O-N 2.78Å; G110-F114 WeakPolarHBondContact O-CB 3.32Å; G110-F114 PolarHBondContact O-N 2.62Å |
| 111 | L | 95.7 | Very high | 94.4 | Very high | 76 Ų | 76 | 81.3 Ų | 81.3 | 40% | 0.398 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.6 | -72 | 176.1 | 0 | 0 | 0 | 111.6 | L107 L108 S109 V113 F114 F115 | L107-L111 HydrophobicContact CD2-CD1 3.62Å; L107-L111 HydrophobicContact CD2-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.37Å; L108-L111 PolarHBondContact O-N 3Å; S109-L111 PolarHBondContact O-N 3.19Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.86Å; L111-F114 PolarHBondContact O-N 3.17Å; L111-F115 HydrophobicContact CB-CD2 4.33Å; L111-F115 HydrophobicContact CB-CE2 4.26Å; L111-F115 HydrophobicContact CD2-CE2 4.08Å; L111-F115 WeakPolarHBondContact O-CD2 3.16Å; L111-F115 PolarHBondContact O-N 2.8Å |
| 112 | A | 94.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 39% | 0.388 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L108 S109 L116 | L108-A112 WeakPolarHBondContact O-CB 3.26Å; L108-A112 PolarHBondContact O-N 2.88Å; S109-A112 PolarHBondContact O-N 2.9Å; A112-L116 VanDerWaalsContact O-CB 3.23Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.34Å; A112-L116 PolarHBondContact O-N 2.83Å |
| 113 | V | 93.4 | Very high | 94.2 | Very high | 92 Ų | 92 | 78.5 Ų | 78.5 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.9 | -47.9 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | S109 G110 L111 F115 L116 F117 | S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 2.93Å; G110-V113 PolarHBondContact O-N 2.78Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.86Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 3.01Å; V113-L116 PolarHBondContact O-N 2.87Å; V113-F117 HydrophobicContact CG1-CB 4.41Å; V113-F117 WeakPolarHBondContact O-CA 3.25Å; V113-F117 WeakPolarHBondContact O-CB 3.48Å; V113-F117 PolarHBondContact O-N 2.84Å |
| 114 | F | 93.4 | Very high | 94.1 | Very high | 99 Ų | 99 | 78.2 Ų | 78.2 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.6 | -38.9 | -178.8 | 177.2 | -96.1 | 0 | 0 | 0 | 113.9 | G110 L111 R119 Y157 | G110-F114 WeakPolarHBondContact O-CB 3.32Å; G110-F114 PolarHBondContact O-N 2.62Å; L111-F114 PolarHBondContact O-N 3.17Å; F114-R119 VanDerWaalsContact CE2-NH2 3.33Å; F114-Y157 HydrophobicContact CD1-CE2 4.24Å; F114-Y157 AromaticContact CE1-CE2 3.64Å; F114-Y157 HydrophobicContact CE1-CE2 3.64Å; F114-Y157 AromaticContact CE1-CZ 3.8Å; F114-Y157 HydrophobicContact CZ-CE2 4.05Å |
| 115 | F | 92.7 | Very high | 93.8 | Very high | 93 Ų | 93 | 75 Ų | 75 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -82 | -33.5 | -179.7 | -72 | -62.2 | 0 | 0 | 0 | 113.8 | L111 V113 Y157 | L111-F115 HydrophobicContact CB-CD2 4.33Å; L111-F115 HydrophobicContact CB-CE2 4.26Å; L111-F115 HydrophobicContact CD2-CE2 4.08Å; L111-F115 WeakPolarHBondContact O-CD2 3.16Å; L111-F115 PolarHBondContact O-N 2.8Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 3.01Å; F115-Y157 HydrophobicContact CD1-CD1 4.17Å; F115-Y157 AromaticContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CE2 4.25Å; F115-Y157 AromaticContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CE1-CD1 4.28Å; F115-Y157 HydrophobicContact CE1-CD2 4.46Å; F115-Y157 HydrophobicContact CE1-CE1 4.46Å; F115-Y157 HydrophobicContact CE1-CG 4.28Å |
| 116 | L | 90.6 | Very high | 93.5 | Very high | 99 Ų | 99 | 73.6 Ų | 73.6 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -95.8 | -16.5 | -175.8 | -61.7 | 175.6 | 0 | 0 | 0 | 113.6 | A112 V113 F237 | A112-L116 VanDerWaalsContact O-CB 3.23Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.34Å; A112-L116 PolarHBondContact O-N 2.83Å; V113-L116 PolarHBondContact O-N 2.87Å; L116-F237 HydrophobicContact CD2-CE2 4.28Å; L116-F237 HydrophobicContact CD2-CZ 3.94Å |
| 117 | F | 90.9 | Very high | 93.1 | Very high | 138 Ų | 138 | 68.9 Ų | 68.9 | 61% | 0.605 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -66.2 | 125.5 | 177.9 | -165.6 | -94.9 | 0 | 0 | 0 | 109.5 | V113 R119 | V113-F117 HydrophobicContact CG1-CB 4.41Å; V113-F117 WeakPolarHBondContact O-CA 3.25Å; V113-F117 WeakPolarHBondContact O-CB 3.48Å; V113-F117 PolarHBondContact O-N 2.84Å; F117-R119 PolarHBondContact O-N 2.79Å |
| 118 | P | 90.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 127.1 | -173 | 26 | -33.9 | 0 | 0 | 0 | 110.4 | Y158 Y236 | P118-Y158 WeakPolarHBondContact CA-OH 3.48Å; P118-Y236 HydrophobicContact CB-CE2 4.09Å |
| 119 | R | 91.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 63.8 Ų | 63.8 | 32% | 0.321 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 159.3 | 168.7 | -67.5 | -176.4 | 173 | -172.8 | 1.5 | 109.6 | F114 F117 N155 N156 Y157 | F114-R119 VanDerWaalsContact CE2-NH2 3.33Å; F117-R119 PolarHBondContact O-N 2.79Å; R119-N155 HydrophobicContact CB-CB 4.43Å; R119-N155 WeakPolarHBondContact CD-O 3.49Å; R119-N156 PolarHBondContact N-OD1 3.34Å; R119-N156 PolarHBondContact O-ND2 2.88Å; R119-N156 PolarHBondContact O-OD1 2.74Å; R119-Y157 PolarHBondContact NH1-OH 3.49Å; R119-Y157 VanDerWaalsContact NH1-OH 3.08Å; R119-Y157 VanDerWaalsContact NH2-CE2 3.27Å; R119-Y157 PolarHBondContact NH2-OH 3.46Å; R119-Y157 VanDerWaalsContact NH2-OH 3.11Å |
| 120 | S | 89 | Confident | 92.3 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -63 | 142.6 | -179.5 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | N155 | S120-N155 WeakPolarHBondContact O-CB 3.32Å; S120-N155 PolarHBondContact O-ND2 2.85Å |
| 121 | I | 93.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.1 | 168 | -61.4 | 161.7 | 0 | 0 | 0 | 106.7 | I152 V160 T234 Y236 I243 | I121-I152 HydrophobicContact CG2-CG2 3.94Å; I121-V160 HydrophobicContact CD1-CG1 3.88Å; I121-V160 HydrophobicContact CD1-CG2 4.29Å; I121-T234 HydrophobicContact CD1-CG2 4.33Å; I121-T234 WeakPolarHBondContact CD1-OG1 3.37Å; I121-Y236 HydrophobicContact CD1-CD1 4.36Å; I121-Y236 HydrophobicContact CD1-CE1 4.21Å; I121-I243 HydrophobicContact CB-CD1 3.88Å; I121-I243 HydrophobicContact CG2-CD1 4.34Å; I121-I243 WeakPolarHBondContact O-CD1 3.45Å |
| 122 | D | 93.9 | Very high | 92.1 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 32% | 0.321 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.6 | -177.5 | -63.8 | -45.4 | 0 | 0 | 0 | 110.4 | I152 T153 N155 | D122-I152 WeakPolarHBondContact O-CA 3.49Å; D122-T153 PolarHBondContact N-O 2.82Å; D122-T153 PolarHBondContact O-N 2.74Å; D122-N155 PolarHBondContact OD2-ND2 2.87Å |
| 123 | V | 94.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.7 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | I152 V232 I243 | V123-I152 HydrophobicContact CG2-CG2 4.36Å; V123-V232 HydrophobicContact CG1-CG2 3.76Å; V123-V232 HydrophobicContact CG2-CB 4.1Å; V123-V232 HydrophobicContact CG2-CG2 3.93Å; V123-I243 HydrophobicContact CB-CG2 4.17Å; V123-I243 HydrophobicContact CG2-CB 4.17Å; V123-I243 HydrophobicContact CG2-CG2 3.99Å |
| 124 | K | 93.7 | Very high | 92.2 | Very high | 125 Ų | 125 | 57.5 Ų | 57.5 | 54% | 0.543 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.1 | 178.9 | -65.4 | -179.3 | -177.6 | 174.4 | 0 | 110.5 | I126 N151 | K124-I126 PolarHBondContact O-N 2.93Å; K124-N151 HydrophobicContact CB-CB 4.34Å; K124-N151 PolarHBondContact N-O 3.5Å; K124-N151 PolarHBondContact O-N 3Å |
| 125 | Y | 92.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115.8 | 172.3 | 179.5 | -89 | 0 | 0 | 0 | 110 | V128 N148 L150 Y197 M228 R247 | Y125-V128 PolarHBondContact OH-N 2.61Å; Y125-N148 HydrophobicContact CE2-CB 3.92Å; Y125-N148 PolarHBondContact OH-OD1 2.77Å; Y125-L150 HydrophobicContact CD2-CD2 3.89Å; Y125-Y197 WeakPolarHBondContact CE2-OH 3.45Å; Y125-M228 HydrophobicContact CE2-CB 4.23Å; Y125-M228 HydrophobicContact CE2-CG 4.48Å; Y125-R247 HydrophobicContact CD1-CB 4.15Å; Y125-R247 HydrophobicContact CD1-CG 4.33Å; Y125-R247 HydrophobicContact CE1-CB 4.47Å; Y125-R247 PolarHBondContact O-NH1 2.87Å |
| 126 | I | 90.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -46.1 | -177.7 | -60.9 | 169.3 | 0 | 0 | 0 | 110.5 | K124 T149 N151 Q194 | K124-I126 PolarHBondContact O-N 2.93Å; I126-T149 HydrophobicContact CB-CG2 4.48Å; I126-T149 WeakPolarHBondContact CB-O 3.14Å; I126-T149 HydrophobicContact CD1-CG2 3.62Å; I126-T149 PolarHBondContact N-O 2.88Å; I126-N151 HydrophobicContact CD1-CB 3.65Å; I126-N151 HydrophobicContact CG1-CB 3.86Å; I126-Q194 HydrophobicContact CD1-CG 3.98Å |
| 127 | G | 87.9 | Confident | 92.2 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N148 T149 | G127-N148 WeakPolarHBondContact O-CA 3.39Å; G127-T149 PolarHBondContact O-N 3.17Å |
| 128 | V | 90.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.7 | 165.2 | 170.9 | 0 | 0 | 0 | 0 | 107.8 | Y125 I146 N148 Q249 V251 Q260 | Y125-V128 PolarHBondContact OH-N 2.61Å; V128-I146 HydrophobicContact CG1-CG2 4.11Å; V128-I146 HydrophobicContact CG2-CG2 3.84Å; V128-N148 WeakPolarHBondContact CG2-OD1 3.37Å; V128-Q249 HydrophobicContact CB-CG 4.41Å; V128-Q249 HydrophobicContact CG2-CG 3.58Å; V128-V251 HydrophobicContact CG2-CG2 4.19Å; V128-Q260 WeakPolarHBondContact O-CB 3.34Å |
| 129 | K | 91.1 | Very high | 92.2 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -43.6 | 172.7 | -178.8 | 170.9 | 178.7 | 169.7 | 0 | 110.7 | T147 D196 Q260 | K129-T147 HydrophobicContact CB-CG2 4.4Å; K129-T147 PolarHBondContact N-O 2.92Å; K129-D196 WeakPolarHBondContact CD-OD2 3.46Å; K129-D196 IonicContact NZ-OD2 2.87Å; K129-D196 PolarHBondContact NZ-OD2 3.48Å; K129-Q260 PolarHBondContact O-N 3.37Å |
| 130 | S | 92.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 149.4 | 175.6 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | T147 T258 | S130-T147 PolarHBondContact N-O 3.24Å; S130-T147 PolarHBondContact O-N 2.79Å; S130-T147 WeakPolarHBondContact OG-CB 3.35Å; S130-T147 PolarHBondContact OG-OG1 2.81Å; S130-T258 CarbonylContact C-O 3.6Å; S130-T258 WeakPolarHBondContact CA-O 3.45Å |
| 131 | A | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N145 I146 V251 T257 T258 | A131-N145 WeakPolarHBondContact CA-O 3.2Å; A131-I146 HydrophobicContact CB-CG1 4.48Å; A131-V251 HydrophobicContact CB-CG1 3.56Å; A131-T257 WeakPolarHBondContact O-CA 3.32Å; A131-T258 PolarHBondContact N-O 3.24Å; A131-T258 PolarHBondContact O-N 3.29Å |
| 132 | Y | 94.4 | Very high | 92.6 | Very high | 111 Ų | 111 | 58.4 Ų | 58.4 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.7 | 172.7 | 176.8 | -92.5 | 0 | 0 | 0 | 109.6 | L144 N145 N256 | Y132-L144 CarbonylContact O-C 3.49Å; Y132-L144 VanDerWaalsContact O-CA 3.24Å; Y132-L144 WeakPolarHBondContact O-CA 3.47Å; Y132-N145 PolarHBondContact N-O 2.85Å; Y132-N145 PolarHBondContact O-N 2.82Å; Y132-N256 CarbonylContact C-O 3.52Å; Y132-N256 VanDerWaalsContact CA-O 3.32Å; Y132-N256 WeakPolarHBondContact CA-O 3.41Å; Y132-N256 WeakPolarHBondContact CD2-O 3.49Å |
| 133 | V | 94.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.7 | -175 | -169.1 | 0 | 0 | 0 | 0 | 110.6 | Y135 I142 Y143 L144 C253 R255 N256 | V133-Y135 HydrophobicContact CG1-CD1 4.49Å; V133-Y135 HydrophobicContact CG1-CE1 3.84Å; V133-Y135 HydrophobicContact CG1-CE2 4.22Å; V133-I142 HydrophobicContact CG1-CG2 3.81Å; V133-Y143 WeakPolarHBondContact CA-O 3.48Å; V133-L144 HydrophobicContact CG1-CG 4.44Å; V133-L144 HydrophobicContact CG2-CD2 3.97Å; V133-L144 HydrophobicContact CG2-CG 4.37Å; V133-C253 WeakPolarHBondContact CG1-O 3.48Å; V133-R255 WeakPolarHBondContact CG2-O 3.19Å; V133-N256 PolarHBondContact N-O 2.72Å |
| 134 | S | 94.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.4 | 172 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | Y143 | S134-Y143 PolarHBondContact N-O 2.79Å; S134-Y143 PolarHBondContact O-N 2.81Å |
| 135 | Y | 93.3 | Very high | 92.7 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.7 | -173.1 | -52.5 | -80.4 | 0 | 0 | 0 | 111.4 | V133 I142 Y211 C214 T215 C253 G254 | V133-Y135 HydrophobicContact CG1-CD1 4.49Å; V133-Y135 HydrophobicContact CG1-CE1 3.84Å; V133-Y135 HydrophobicContact CG1-CE2 4.22Å; Y135-I142 HydrophobicContact CD1-CG1 4.13Å; Y135-I142 HydrophobicContact CD1-CG2 4.26Å; Y135-I142 HydrophobicContact CE1-CG1 4.35Å; Y135-I142 HydrophobicContact CE1-CG2 4.2Å; Y135-Y211 HydrophobicContact CD1-CD2 4.44Å; Y135-Y211 HydrophobicContact CD1-CE2 4.35Å; Y135-C214 HydrophobicContact CE1-CB 4.11Å; Y135-T215 HydrophobicContact CD1-CG2 3.97Å; Y135-T215 HydrophobicContact CE1-CG2 3.91Å; Y135-T215 HydrophobicContact CG-CG2 4.42Å; Y135-C253 PolarHBondContact OH-O 3.31Å; Y135-G254 VanDerWaalsContact OH-C 3.25Å; Y135-G254 WeakPolarHBondContact OH-CA 3.32Å; Y135-G254 PolarHBondContact OH-O 2.83Å |
| 136 | D | 93.5 | Very high | 92.8 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.9 | 164.1 | -177.1 | -17.3 | 0 | 0 | 0 | 109 | Q138 K139 R140 T141 Y143 | D136-Q138 VanDerWaalsContact C-N 3.31Å; D136-Q138 PolarHBondContact O-N 2.87Å; D136-Q138 PolarHBondContact OD1-N 2.9Å; D136-K139 HydrophobicContact CB-CB 4.49Å; D136-K139 PolarHBondContact OD1-N 2.83Å; D136-K139 WeakPolarHBondContact OD2-CD 3.47Å; D136-R140 VanDerWaalsContact O-CA 3.32Å; D136-R140 WeakPolarHBondContact O-CA 3.22Å; D136-R140 PolarHBondContact O-N 2.86Å; D136-T141 PolarHBondContact N-O 2.91Å; D136-T141 PolarHBondContact O-N 2.89Å; D136-T141 VanDerWaalsContact O-N 3.12Å; D136-Y143 HydrophobicContact CB-CE2 4.05Å |
| 137 | V | 90.9 | Very high | 93 | Very high | 106 Ų | 106 | 54.7 Ų | 54.7 | 64% | 0.642 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -34 | -177.4 | -174 | 0 | 0 | 0 | 0 | 111.7 | ||
| 138 | Q | 90.7 | Very high | 93.3 | Very high | 186 Ų | 186 | 54.3 Ų | 54.3 | 87% | 0.869 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -39.2 | -175.5 | -61.5 | -172.9 | 10 | 0 | 0 | 111.1 | D136 | D136-Q138 VanDerWaalsContact C-N 3.31Å; D136-Q138 PolarHBondContact O-N 2.87Å; D136-Q138 PolarHBondContact OD1-N 2.9Å |
| 139 | K | 90.6 | Very high | 93.5 | Very high | 144 Ų | 144 | 54.8 Ų | 54.8 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -6.2 | -178.5 | -61.8 | -178 | -172.6 | 167.9 | 0 | 113.8 | D136 T141 | D136-K139 HydrophobicContact CB-CB 4.49Å; D136-K139 PolarHBondContact OD1-N 2.83Å; D136-K139 WeakPolarHBondContact OD2-CD 3.47Å; K139-T141 WeakPolarHBondContact CB-OG1 3.11Å; K139-T141 PolarHBondContact O-N 2.84Å |
| 140 | R | 92.5 | Very high | 93.6 | Very high | 121 Ų | 121 | 49.9 Ų | 49.9 | 46% | 0.457 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 45.2 | -171.1 | -62 | -178 | 169.6 | -131.9 | -4.4 | 111.6 | D136 Y211 D212 | D136-R140 VanDerWaalsContact O-CA 3.32Å; D136-R140 WeakPolarHBondContact O-CA 3.22Å; D136-R140 PolarHBondContact O-N 2.86Å; R140-Y211 HydrophobicContact CB-CD1 4.18Å; R140-Y211 HydrophobicContact CB-CD2 4.36Å; R140-Y211 HydrophobicContact CB-CG 3.95Å; R140-Y211 HydrophobicContact CG-CD1 4.17Å; R140-Y211 HydrophobicContact CG-CG 4.44Å; R140-D212 IonicContact CZ-OD1 3.03Å; R140-D212 IonicContact NH1-OD1 2.61Å; R140-D212 PolarHBondContact NH1-OD1 3.48Å; R140-D212 IonicContact NH1-OD2 3.78Å; R140-D212 PolarHBondContact NH1-OD2 3.3Å |
| 141 | T | 93.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.8 | -177.5 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | D136 K139 Y143 I202 A204 | D136-T141 PolarHBondContact N-O 2.91Å; D136-T141 PolarHBondContact O-N 2.89Å; D136-T141 VanDerWaalsContact O-N 3.12Å; K139-T141 WeakPolarHBondContact CB-OG1 3.11Å; K139-T141 PolarHBondContact O-N 2.84Å; T141-Y143 HydrophobicContact CG2-CD2 4.34Å; T141-Y143 HydrophobicContact CG2-CE1 4.17Å; T141-Y143 HydrophobicContact CG2-CE2 3.83Å; T141-I202 HydrophobicContact CG2-CG2 3.6Å; T141-A204 HydrophobicContact CG2-CB 4.03Å |
| 142 | I | 94.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.6 | 172 | -51.8 | 157.1 | 0 | 0 | 0 | 108.6 | V133 Y135 L144 I202 I203 M210 Y211 C214 | V133-I142 HydrophobicContact CG1-CG2 3.81Å; Y135-I142 HydrophobicContact CD1-CG1 4.13Å; Y135-I142 HydrophobicContact CD1-CG2 4.26Å; Y135-I142 HydrophobicContact CE1-CG1 4.35Å; Y135-I142 HydrophobicContact CE1-CG2 4.2Å; I142-L144 HydrophobicContact CG2-CD1 3.79Å; I142-L144 HydrophobicContact CG2-CG 3.95Å; I142-I202 WeakPolarHBondContact O-CA 3.24Å; I142-I203 HydrophobicContact CB-CB 4.28Å; I142-I203 HydrophobicContact CD1-CB 4.43Å; I142-I203 PolarHBondContact N-O 2.86Å; I142-I203 PolarHBondContact O-N 3.4Å; I142-M210 HydrophobicContact CD1-CB 3.95Å; I142-M210 HydrophobicContact CD1-CG 4.24Å; I142-Y211 HydrophobicContact CG1-CD2 4.35Å; I142-C214 HydrophobicContact CD1-CB 3.99Å; I142-C214 WeakPolarHBondContact CD1-SG 3.1Å |
| 143 | Y | 94.9 | Very high | 93.8 | Very high | 88 Ų | 88 | 46 Ų | 46 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120 | 171.2 | -62.8 | -81.8 | 0 | 0 | 0 | 108.6 | V133 S134 D136 T141 I202 | V133-Y143 WeakPolarHBondContact CA-O 3.48Å; S134-Y143 PolarHBondContact N-O 2.79Å; S134-Y143 PolarHBondContact O-N 2.81Å; D136-Y143 HydrophobicContact CB-CE2 4.05Å; T141-Y143 HydrophobicContact CG2-CD2 4.34Å; T141-Y143 HydrophobicContact CG2-CE1 4.17Å; T141-Y143 HydrophobicContact CG2-CE2 3.83Å; Y143-I202 HydrophobicContact CD1-CD1 4.26Å; Y143-I202 HydrophobicContact CD1-CG1 3.87Å; Y143-I202 HydrophobicContact CD1-CG2 4.29Å; Y143-I202 HydrophobicContact CE1-CD1 3.97Å; Y143-I202 HydrophobicContact CE1-CG1 4.03Å; Y143-I202 HydrophobicContact CE1-CG2 4.02Å |
| 144 | L | 94.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.5 | 170.8 | -38.8 | 91.3 | 0 | 0 | 0 | 111.5 | Y132 V133 I142 I146 T201 I203 I224 V251 C253 | Y132-L144 CarbonylContact O-C 3.49Å; Y132-L144 VanDerWaalsContact O-CA 3.24Å; Y132-L144 WeakPolarHBondContact O-CA 3.47Å; V133-L144 HydrophobicContact CG1-CG 4.44Å; V133-L144 HydrophobicContact CG2-CD2 3.97Å; V133-L144 HydrophobicContact CG2-CG 4.37Å; I142-L144 HydrophobicContact CG2-CD1 3.79Å; I142-L144 HydrophobicContact CG2-CG 3.95Å; L144-I146 HydrophobicContact CB-CD1 4.48Å; L144-I146 HydrophobicContact CB-CG1 4.09Å; L144-T201 VanDerWaalsContact CB-OG1 3.26Å; L144-T201 WeakPolarHBondContact CB-OG1 3.48Å; L144-T201 PolarHBondContact N-O 2.88Å; L144-T201 WeakPolarHBondContact O-CA 3.48Å; L144-T201 PolarHBondContact O-N 3.46Å; L144-T201 PolarHBondContact O-OG1 3.37Å; L144-I203 HydrophobicContact CD1-CD1 3.76Å; L144-I203 HydrophobicContact CD1-CG1 4.02Å; L144-I224 HydrophobicContact CD2-CD1 4.41Å; L144-V251 HydrophobicContact CD2-CG1 4.1Å; L144-C253 HydrophobicContact CD2-CB 4.03Å |
| 145 | N | 95.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 105 | 168.8 | -70.7 | -20.4 | 0 | 0 | 0 | 108.3 | A131 Y132 T198 | A131-N145 WeakPolarHBondContact CA-O 3.2Å; Y132-N145 PolarHBondContact N-O 2.85Å; Y132-N145 PolarHBondContact O-N 2.82Å; N145-T198 HydrophobicContact CB-CG2 4.05Å |
| 146 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.1 | -173.7 | -50.7 | 172.3 | 0 | 0 | 0 | 108.4 | V128 A131 L144 N148 V169 T198 V199 T201 L226 M228 V251 | V128-I146 HydrophobicContact CG1-CG2 4.11Å; V128-I146 HydrophobicContact CG2-CG2 3.84Å; A131-I146 HydrophobicContact CB-CG1 4.48Å; L144-I146 HydrophobicContact CB-CD1 4.48Å; L144-I146 HydrophobicContact CB-CG1 4.09Å; I146-N148 WeakPolarHBondContact CG2-ND2 3.49Å; I146-N148 PolarHBondContact O-ND2 2.9Å; I146-V169 HydrophobicContact CD1-CG1 4.33Å; I146-T198 CarbonylContact O-C 3.5Å; I146-T198 WeakPolarHBondContact O-CA 3.35Å; I146-V199 PolarHBondContact N-O 2.85Å; I146-V199 PolarHBondContact O-N 2.61Å; I146-T201 HydrophobicContact CD1-CG2 3.95Å; I146-T201 HydrophobicContact CG1-CG2 4.45Å; I146-L226 HydrophobicContact CD1-CD1 3.37Å; I146-M228 HydrophobicContact CG2-CE 4.42Å; I146-V251 HydrophobicContact CD1-CG1 4.44Å; I146-V251 HydrophobicContact CD1-CG2 4.34Å |
| 147 | T | 94.8 | Very high | 94 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.2 | 173.8 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | K129 S130 D196 Y197 T198 | K129-T147 HydrophobicContact CB-CG2 4.4Å; K129-T147 PolarHBondContact N-O 2.92Å; S130-T147 PolarHBondContact N-O 3.24Å; S130-T147 PolarHBondContact O-N 2.79Å; S130-T147 WeakPolarHBondContact OG-CB 3.35Å; S130-T147 PolarHBondContact OG-OG1 2.81Å; T147-D196 HydrophobicContact CG2-CB 4.38Å; T147-Y197 CarbonylContact C-O 3.51Å; T147-Y197 WeakPolarHBondContact CA-O 3.45Å; T147-T198 PolarHBondContact OG1-OG1 3.49Å |
| 148 | N | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.2 | -177.3 | -63.5 | -84.8 | 0 | 0 | 0 | 110.2 | Y125 G127 V128 I146 D196 Y197 M228 | Y125-N148 HydrophobicContact CE2-CB 3.92Å; Y125-N148 PolarHBondContact OH-OD1 2.77Å; G127-N148 WeakPolarHBondContact O-CA 3.39Å; V128-N148 WeakPolarHBondContact CG2-OD1 3.37Å; I146-N148 WeakPolarHBondContact CG2-ND2 3.49Å; I146-N148 PolarHBondContact O-ND2 2.9Å; N148-D196 CarbonylContact O-C 3.56Å; N148-D196 VanDerWaalsContact O-CA 3.28Å; N148-D196 WeakPolarHBondContact O-CA 3.24Å; N148-Y197 HydrophobicContact CB-CD1 4.03Å; N148-Y197 HydrophobicContact CB-CD2 4.49Å; N148-Y197 HydrophobicContact CB-CE1 3.39Å; N148-Y197 HydrophobicContact CB-CE2 3.96Å; N148-Y197 VanDerWaalsContact CB-CZ 3.41Å; N148-Y197 PolarHBondContact N-O 2.96Å; N148-Y197 WeakPolarHBondContact O-CD1 3.42Å; N148-Y197 PolarHBondContact O-N 2.91Å; N148-M228 WeakPolarHBondContact ND2-CE 3.39Å |
| 149 | T | 93.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.3 | 177.6 | -54 | 0 | 0 | 0 | 0 | 110.2 | I126 G127 Q194 D196 | I126-T149 HydrophobicContact CB-CG2 4.48Å; I126-T149 WeakPolarHBondContact CB-O 3.14Å; I126-T149 HydrophobicContact CD1-CG2 3.62Å; I126-T149 PolarHBondContact N-O 2.88Å; G127-T149 PolarHBondContact O-N 3.17Å; T149-Q194 HydrophobicContact CG2-CB 4.24Å; T149-D196 VanDerWaalsContact CB-OD1 3.32Å; T149-D196 WeakPolarHBondContact CB-OD1 3.5Å; T149-D196 VanDerWaalsContact CG2-OD1 3.29Å; T149-D196 WeakPolarHBondContact CG2-OD1 3.33Å; T149-D196 PolarHBondContact OG1-OD1 3.19Å |
| 150 | L | 93.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.1 | 169.7 | -55.8 | 173.1 | 0 | 0 | 0 | 109.7 | Y125 I165 Q194 I195 Y197 V230 V232 | Y125-L150 HydrophobicContact CD2-CD2 3.89Å; L150-I165 HydrophobicContact CD1-CD1 4.02Å; L150-I165 HydrophobicContact CD1-CG2 4.06Å; L150-Q194 CarbonylContact O-C 3.47Å; L150-Q194 WeakPolarHBondContact O-CA 3.37Å; L150-I195 PolarHBondContact N-O 2.94Å; L150-I195 PolarHBondContact O-N 3.31Å; L150-Y197 HydrophobicContact CD1-CD1 3.8Å; L150-Y197 HydrophobicContact CD1-CE1 3.64Å; L150-Y197 HydrophobicContact CD2-CD1 4.38Å; L150-Y197 HydrophobicContact CD2-CE1 3.48Å; L150-Y197 VanDerWaalsContact CD2-CE1 3.48Å; L150-Y197 HydrophobicContact CG-CD1 3.71Å; L150-Y197 HydrophobicContact CG-CE1 3.3Å; L150-V230 HydrophobicContact CD1-CG2 3.67Å; L150-V230 HydrophobicContact CD2-CG1 3.9Å; L150-V230 HydrophobicContact CD2-CG2 4.35Å; L150-V232 HydrophobicContact CD1-CG2 4.35Å |
| 151 | N | 94.9 | Very high | 94.5 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.2 | 165.6 | -167.6 | 2.8 | 0 | 0 | 0 | 109.1 | K124 I126 M192 | K124-N151 HydrophobicContact CB-CB 4.34Å; K124-N151 PolarHBondContact N-O 3.5Å; K124-N151 PolarHBondContact O-N 3Å; I126-N151 HydrophobicContact CD1-CB 3.65Å; I126-N151 HydrophobicContact CG1-CB 3.86Å; N151-M192 PolarHBondContact ND2-SD 2.88Å; N151-M192 WeakPolarHBondContact OD1-CG 3.39Å; N151-M192 PolarHBondContact OD1-SD 3.45Å |
| 152 | I | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119 | 177.7 | -50.6 | -177.4 | 0 | 0 | 0 | 107.8 | I121 D122 V123 V162 I165 I187 M192 K193 I195 V232 | I121-I152 HydrophobicContact CG2-CG2 3.94Å; D122-I152 WeakPolarHBondContact O-CA 3.49Å; V123-I152 HydrophobicContact CG2-CG2 4.36Å; I152-V162 HydrophobicContact CD1-CG2 4.42Å; I152-I165 HydrophobicContact CD1-CD1 4.13Å; I152-I187 HydrophobicContact CB-CD1 3.68Å; I152-I187 HydrophobicContact CG2-CD1 3.37Å; I152-M192 WeakPolarHBondContact O-CA 3.21Å; I152-K193 PolarHBondContact N-O 3.29Å; I152-K193 PolarHBondContact O-N 2.97Å; I152-I195 HydrophobicContact CD1-CD1 3.71Å; I152-I195 HydrophobicContact CG1-CD1 4.48Å; I152-V232 HydrophobicContact CD1-CG1 3.82Å; I152-V232 HydrophobicContact CD1-CG2 4.16Å |
| 153 | T | 95.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 17% | 0.172 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.8 | -179.6 | -49.1 | 0 | 0 | 0 | 0 | 109.4 | D122 M192 | D122-T153 PolarHBondContact N-O 2.82Å; D122-T153 PolarHBondContact O-N 2.74Å; T153-M192 HydrophobicContact CG2-CB 4.39Å |
| 154 | N | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 107.9 | 175.9 | 178.5 | 22.8 | 0 | 0 | 0 | 109.8 | N156 Y158 I187 G188 L190 D191 | N154-N156 VanDerWaalsContact C-N 3.27Å; N154-N156 PolarHBondContact O-N 2.83Å; N154-N156 WeakPolarHBondContact OD1-CB 3.29Å; N154-N156 PolarHBondContact OD1-N 2.87Å; N154-N156 PolarHBondContact OD1-ND2 2.84Å; N154-Y158 PolarHBondContact ND2-O 2.7Å; N154-I187 HydrophobicContact CB-CB 4.28Å; N154-I187 HydrophobicContact CB-CG2 3.62Å; N154-G188 PolarHBondContact ND2-O 2.57Å; N154-L190 CarbonylContact O-C 3.57Å; N154-L190 WeakPolarHBondContact O-CA 3.31Å; N154-L190 PolarHBondContact O-N 2.76Å; N154-D191 PolarHBondContact N-O 3.42Å; N154-D191 PolarHBondContact O-N 3.06Å |
| 155 | N | 94.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 25.7 Ų | 25.7 | 25% | 0.251 | 13% | 0.132 | S | C | . | . | trans | -86.8 | 4.8 | 177.1 | -58 | -43.9 | 0 | 0 | 0 | 113.5 | R119 S120 D122 L190 | R119-N155 HydrophobicContact CB-CB 4.43Å; R119-N155 WeakPolarHBondContact CD-O 3.49Å; S120-N155 WeakPolarHBondContact O-CB 3.32Å; S120-N155 PolarHBondContact O-ND2 2.85Å; D122-N155 PolarHBondContact OD2-ND2 2.87Å; N155-L190 VanDerWaalsContact O-CD2 3.31Å; N155-L190 WeakPolarHBondContact O-CD2 3.44Å | ||
| 156 | N | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -79.6 | 155.9 | 176.8 | -65.9 | -77.8 | 0 | 0 | 0 | 112 | R119 N154 Y158 P189 L190 | R119-N156 PolarHBondContact N-OD1 3.34Å; R119-N156 PolarHBondContact O-ND2 2.88Å; R119-N156 PolarHBondContact O-OD1 2.74Å; N154-N156 VanDerWaalsContact C-N 3.27Å; N154-N156 PolarHBondContact O-N 2.83Å; N154-N156 WeakPolarHBondContact OD1-CB 3.29Å; N154-N156 PolarHBondContact OD1-N 2.87Å; N154-N156 PolarHBondContact OD1-ND2 2.84Å; N156-Y158 HydrophobicContact CB-CD1 4.03Å; N156-Y158 HydrophobicContact CB-CD2 4.1Å; N156-Y158 HydrophobicContact CB-CE1 3.84Å; N156-Y158 HydrophobicContact CB-CE2 3.89Å; N156-Y158 HydrophobicContact CB-CG 4.18Å; N156-Y158 PolarHBondContact O-N 3.02Å; N156-Y158 PolarHBondContact OD1-OH 3.26Å; N156-P189 CarbonylContact O-C 3.58Å; N156-P189 WeakPolarHBondContact O-CA 3.43Å; N156-L190 PolarHBondContact O-N 2.89Å |
| 157 | Y | 94.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 24.3 Ų | 24.3 | 31% | 0.306 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -84.9 | 4.2 | 172.3 | -62.8 | -76.4 | 0 | 0 | 0 | 113.4 | F114 F115 R119 P189 L190 | F114-Y157 HydrophobicContact CD1-CE2 4.24Å; F114-Y157 AromaticContact CE1-CE2 3.64Å; F114-Y157 HydrophobicContact CE1-CE2 3.64Å; F114-Y157 AromaticContact CE1-CZ 3.8Å; F114-Y157 HydrophobicContact CZ-CE2 4.05Å; F115-Y157 HydrophobicContact CD1-CD1 4.17Å; F115-Y157 AromaticContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CE2 4.25Å; F115-Y157 AromaticContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CE1-CD1 4.28Å; F115-Y157 HydrophobicContact CE1-CD2 4.46Å; F115-Y157 HydrophobicContact CE1-CE1 4.46Å; F115-Y157 HydrophobicContact CE1-CG 4.28Å; R119-Y157 PolarHBondContact NH1-OH 3.49Å; R119-Y157 VanDerWaalsContact NH1-OH 3.08Å; R119-Y157 VanDerWaalsContact NH2-CE2 3.27Å; R119-Y157 PolarHBondContact NH2-OH 3.46Å; R119-Y157 VanDerWaalsContact NH2-OH 3.11Å; Y157-P189 WeakPolarHBondContact O-CB 3.45Å; Y157-L190 HydrophobicContact CD1-CD1 3.9Å; Y157-L190 HydrophobicContact CD1-CD2 4.37Å; Y157-L190 HydrophobicContact CD1-CG 4.18Å; Y157-L190 HydrophobicContact CE1-CD1 3.74Å; Y157-L190 HydrophobicContact CE1-CD2 4.33Å; Y157-L190 HydrophobicContact CE1-CG 4.35Å |
| 158 | Y | 93.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 9% | 0.086 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -123.4 | 160.2 | 174.1 | 54.1 | -96.3 | 0 | 0 | 0 | 109.7 | P118 N154 N156 V160 Y236 F237 | P118-Y158 WeakPolarHBondContact CA-OH 3.48Å; N154-Y158 PolarHBondContact ND2-O 2.7Å; N156-Y158 HydrophobicContact CB-CD1 4.03Å; N156-Y158 HydrophobicContact CB-CD2 4.1Å; N156-Y158 HydrophobicContact CB-CE1 3.84Å; N156-Y158 HydrophobicContact CB-CE2 3.89Å; N156-Y158 HydrophobicContact CB-CG 4.18Å; N156-Y158 PolarHBondContact O-N 3.02Å; N156-Y158 PolarHBondContact OD1-OH 3.26Å; Y158-V160 HydrophobicContact CD2-CG2 4.18Å; Y158-V160 HydrophobicContact CE2-CG2 4Å; Y158-Y236 AromaticContact CE2-CD2 3.74Å; Y158-Y236 HydrophobicContact CE2-CD2 3.74Å; Y158-Y236 AromaticContact CE2-CG 3.75Å; Y158-Y236 HydrophobicContact CE2-CG 3.75Å; Y158-Y236 AromaticContact CZ-CD2 3.93Å; Y158-Y236 WeakPolarHBondContact OH-CD2 3.4Å; Y158-Y236 WeakPolarHBondContact OH-CE2 3.28Å; Y158-F237 AromaticContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CZ 4.04Å; Y158-F237 HydrophobicContact CD2-CD2 4.32Å; Y158-F237 AromaticContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CZ 4.17Å; Y158-F237 HydrophobicContact CE1-CD2 4.41Å; Y158-F237 AromaticContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE2-CD2 4.11Å; Y158-F237 AromaticContact CE2-CE2 3.79Å; Y158-F237 HydrophobicContact CE2-CE2 3.79Å; Y158-F237 AromaticContact CG-CE2 3.52Å; Y158-F237 HydrophobicContact CG-CE2 3.52Å; Y158-F237 AromaticContact CG-CZ 3.79Å; Y158-F237 HydrophobicContact CG-CZ 3.79Å; Y158-F237 AromaticContact CZ-CE2 3.76Å |
| 159 | S | 93.9 | Very high | 94.9 | Very high | 52 Ų | 52 | 25.9 Ų | 25.9 | 36% | 0.364 | 13% | 0.132 | S | C | . | . | trans | -77.1 | 141.2 | -179.6 | 152.9 | 0 | 0 | 0 | 0 | 110.7 | N186 I187 | S159-N186 PolarHBondContact OG-ND2 2.91Å; S159-N186 PolarHBondContact OG-OD1 2.74Å; S159-I187 WeakPolarHBondContact CA-O 3.35Å | ||
| 160 | V | 94.4 | Very high | 95 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.5 | -177.7 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | I121 Y158 N186 I187 T234 Y236 | I121-V160 HydrophobicContact CD1-CG1 3.88Å; I121-V160 HydrophobicContact CD1-CG2 4.29Å; Y158-V160 HydrophobicContact CD2-CG2 4.18Å; Y158-V160 HydrophobicContact CE2-CG2 4Å; V160-N186 WeakPolarHBondContact O-CA 3.41Å; V160-I187 PolarHBondContact N-O 2.84Å; V160-I187 PolarHBondContact O-N 2.97Å; V160-T234 HydrophobicContact CG1-CG2 4.12Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å; V160-Y236 HydrophobicContact CG2-CD1 4.4Å |
| 161 | E | 93.9 | Very high | 95 | Very high | 87 Ų | 87 | 27.6 Ų | 27.6 | 41% | 0.407 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.6 | 177.7 | -179.4 | 175.9 | -166.3 | 0 | 0 | 110.8 | E163 T234 T235 | E161-E163 PolarHBondContact O-N 3.08Å; E161-T234 CarbonylContact O-C 3.59Å; E161-T234 VanDerWaalsContact O-CA 3.24Å; E161-T234 WeakPolarHBondContact O-CA 3.06Å; E161-T235 WeakPolarHBondContact CB-OG1 3.4Å; E161-T235 PolarHBondContact N-O 3.11Å; E161-T235 PolarHBondContact O-N 3.48Å; E161-T235 PolarHBondContact O-OG1 3.04Å |
| 162 | V | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 97.5 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | I152 I165 I184 T185 I187 V232 T234 | I152-V162 HydrophobicContact CD1-CG2 4.42Å; V162-I165 HydrophobicContact CG1-CD1 4.2Å; V162-I165 HydrophobicContact CG1-CG1 3.99Å; V162-I184 HydrophobicContact CB-CB 4.47Å; V162-I184 HydrophobicContact CG1-CB 4.31Å; V162-I184 HydrophobicContact CG1-CD1 4.16Å; V162-I184 PolarHBondContact O-N 3.46Å; V162-T185 WeakPolarHBondContact CB-O 3.14Å; V162-T185 WeakPolarHBondContact CG2-O 3.35Å; V162-T185 PolarHBondContact N-O 3.08Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.11Å; V162-V232 HydrophobicContact CG1-CG1 4.03Å; V162-T234 HydrophobicContact CG2-CG2 4.27Å |
| 163 | E | 93.4 | Very high | 94.4 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 38% | 0.383 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -50.1 | -176.3 | -172.5 | -166.7 | 160.2 | 0 | 0 | 111.3 | E161 N182 N183 T233 T235 | E161-E163 PolarHBondContact O-N 3.08Å; E163-N182 CarbonylContact O-C 3.56Å; E163-N182 WeakPolarHBondContact O-CA 3.4Å; E163-N183 PolarHBondContact O-N 2.99Å; E163-T233 HydrophobicContact CB-CG2 4.48Å; E163-T233 PolarHBondContact N-O 3.34Å; E163-T235 HydrophobicContact CB-CG2 4.09Å; E163-T235 WeakPolarHBondContact OE2-CG2 3.46Å |
| 164 | N | 95.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 156 | 176.9 | 61.4 | 55.5 | 0 | 0 | 0 | 112.9 | R180 L181 N182 T233 | N164-R180 PolarHBondContact ND2-NH2 3Å; N164-L181 CarbonylContact C-O 3.49Å; N164-L181 WeakPolarHBondContact CA-O 3.37Å; N164-L181 VanDerWaalsContact CB-O 3.28Å; N164-L181 WeakPolarHBondContact CB-O 3.37Å; N164-N182 WeakPolarHBondContact CB-OD1 3.39Å; N164-T233 PolarHBondContact N-O 3.38Å; N164-T233 PolarHBondContact O-N 3.44Å; N164-T233 WeakPolarHBondContact OD1-CB 3.32Å; N164-T233 PolarHBondContact OD1-OG1 3.12Å |
| 165 | I | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.4 | 169.1 | -64.9 | 178.2 | 0 | 0 | 0 | 107.1 | L150 I152 V162 R180 L181 I184 I195 V230 T231 V232 | L150-I165 HydrophobicContact CD1-CD1 4.02Å; L150-I165 HydrophobicContact CD1-CG2 4.06Å; I152-I165 HydrophobicContact CD1-CD1 4.13Å; V162-I165 HydrophobicContact CG1-CD1 4.2Å; V162-I165 HydrophobicContact CG1-CG1 3.99Å; I165-R180 CarbonylContact O-C 3.56Å; I165-R180 WeakPolarHBondContact O-CA 3.4Å; I165-L181 PolarHBondContact N-O 2.86Å; I165-L181 PolarHBondContact O-N 3.03Å; I165-I184 HydrophobicContact CB-CD1 3.66Å; I165-I184 HydrophobicContact CD1-CD1 3.24Å; I165-I184 HydrophobicContact CG1-CD1 3.28Å; I165-I195 HydrophobicContact CD1-CD1 4.15Å; I165-I195 HydrophobicContact CD1-CG2 4.09Å; I165-V230 HydrophobicContact CG2-CG2 3.6Å; I165-T231 WeakPolarHBondContact CA-O 3.5Å; I165-V232 HydrophobicContact CD1-CG2 4.39Å; I165-V232 HydrophobicContact CG1-CB 4.46Å; I165-V232 HydrophobicContact CG1-CG1 4.16Å; I165-V232 HydrophobicContact CG1-CG2 4.14Å |
| 166 | T | 96.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 42 Ų | 42 | 23% | 0.233 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128 | 172.5 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | A179 R180 V230 T231 | T166-A179 WeakPolarHBondContact CA-O 3.36Å; T166-R180 HydrophobicContact CG2-CB 4.33Å; T166-R180 HydrophobicContact CG2-CG 3.88Å; T166-V230 CarbonylContact O-C 3.58Å; T166-V230 WeakPolarHBondContact O-CA 3.49Å; T166-T231 PolarHBondContact N-O 3.23Å; T166-T231 PolarHBondContact O-N 3.4Å; T166-T231 WeakPolarHBondContact OG1-CB 3.5Å; T166-T231 PolarHBondContact OG1-O 2.79Å |
| 167 | A | 96.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | K178 A179 Y197 V199 Q229 V230 | A167-K178 CarbonylContact O-C 3.48Å; A167-K178 WeakPolarHBondContact O-CA 3.43Å; A167-A179 PolarHBondContact N-O 2.87Å; A167-A179 PolarHBondContact O-N 3.39Å; A167-Y197 HydrophobicContact CB-CD2 3.58Å; A167-Y197 HydrophobicContact CB-CE2 3.34Å; A167-V199 HydrophobicContact CB-CG2 3.68Å; A167-Q229 CarbonylContact C-O 3.48Å; A167-Q229 WeakPolarHBondContact CA-O 3.23Å; A167-V230 HydrophobicContact CB-CG2 4.49Å |
| 168 | Q | 96.7 | Very high | 94.6 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.1 | 176.7 | -52.4 | -171.3 | 27.6 | 0 | 0 | 109 | V175 G177 K178 Q229 | Q168-V175 HydrophobicContact CB-CG1 4.41Å; Q168-G177 WeakPolarHBondContact CA-O 3.33Å; Q168-K178 HydrophobicContact CG-CG 4.25Å; Q168-Q229 HydrophobicContact CB-CB 4.43Å; Q168-Q229 PolarHBondContact N-O 2.84Å; Q168-Q229 PolarHBondContact O-N 3.4Å |
| 169 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.7 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | I146 I176 G177 V199 T201 L226 M228 | I146-V169 HydrophobicContact CD1-CG1 4.33Å; V169-I176 HydrophobicContact CB-CG1 4.3Å; V169-I176 HydrophobicContact CG1-CD1 4.05Å; V169-I176 HydrophobicContact CG1-CG1 4Å; V169-I176 WeakPolarHBondContact O-CG1 3.48Å; V169-I176 PolarHBondContact O-N 3.29Å; V169-G177 PolarHBondContact N-O 3.23Å; V169-G177 PolarHBondContact O-N 2.8Å; V169-V199 HydrophobicContact CG2-CB 3.85Å; V169-V199 HydrophobicContact CG2-CG1 3.76Å; V169-V199 HydrophobicContact CG2-CG2 4.15Å; V169-T201 HydrophobicContact CB-CG2 3.64Å; V169-T201 HydrophobicContact CG1-CG2 3.92Å; V169-T201 HydrophobicContact CG2-CG2 3.72Å; V169-L226 HydrophobicContact CG1-CB 3.96Å; V169-L226 HydrophobicContact CG1-CD1 3.9Å; V169-L226 HydrophobicContact CG1-CD2 4.35Å; V169-L226 HydrophobicContact CG1-CG 4.29Å; V169-M228 HydrophobicContact CB-SD 4.36Å; V169-M228 HydrophobicContact CG1-SD 3.92Å; V169-M228 HydrophobicContact CG2-CE 3.46Å; V169-M228 VanDerWaalsContact CG2-CE 3.46Å; V169-M228 HydrophobicContact CG2-SD 3.69Å |
| 170 | Q | 95.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.2 | -180 | -44.3 | -174.3 | 15 | 0 | 0 | 111 | T174 V175 M227 | Q170-T174 CarbonylContact C-O 3.58Å; Q170-T174 WeakPolarHBondContact CA-O 3.48Å; Q170-V175 HydrophobicContact CG-CG2 4.03Å; Q170-M227 HydrophobicContact CB-CB 4.24Å; Q170-M227 HydrophobicContact CB-CE 4.25Å; Q170-M227 HydrophobicContact CG-CE 4.04Å; Q170-M227 PolarHBondContact N-O 3.29Å; Q170-M227 PolarHBondContact O-N 2.81Å |
| 171 | F | 94.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.6 | 169.8 | 179.4 | -103.9 | 0 | 0 | 0 | 108.3 | K173 T174 I176 M207 M210 V225 L226 | F171-K173 PolarHBondContact O-N 3.46Å; F171-K173 VanDerWaalsContact O-N 3.15Å; F171-T174 PolarHBondContact N-O 3.17Å; F171-T174 WeakPolarHBondContact O-CB 3.45Å; F171-T174 PolarHBondContact O-N 2.75Å; F171-I176 HydrophobicContact CB-CD1 3.92Å; F171-I176 HydrophobicContact CB-CG1 4.33Å; F171-I176 HydrophobicContact CB-CG2 4.04Å; F171-M207 HydrophobicContact CD1-CE 4.38Å; F171-M207 HydrophobicContact CD1-CG 4.3Å; F171-M207 HydrophobicContact CD1-SD 3.86Å; F171-M207 HydrophobicContact CE1-SD 3.8Å; F171-M210 HydrophobicContact CE1-CE 3.56Å; F171-M210 HydrophobicContact CE2-CE 4.23Å; F171-M210 HydrophobicContact CZ-CE 3.28Å; F171-M210 HydrophobicContact CZ-SD 4.37Å; F171-V225 WeakPolarHBondContact CD2-O 3.47Å; F171-L226 HydrophobicContact CB-CD2 3.97Å; F171-L226 HydrophobicContact CD2-CD2 3.88Å; F171-L226 HydrophobicContact CG-CD2 4.37Å |
| 172 | A | 89.4 | Confident | 94.6 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 39.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T174 | A172-T174 PolarHBondContact O-N 2.8Š|
| 173 | K | 88.9 | Confident | 94 | Very high | 182 Ų | 182 | 58.8 Ų | 58.8 | 79% | 0.791 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 0.9 | -175.3 | -50.7 | 175.8 | 178.1 | 177.9 | 0 | 115.9 | F171 | F171-K173 PolarHBondContact O-N 3.46Å; F171-K173 VanDerWaalsContact O-N 3.15Å |
| 174 | T | 93.8 | Very high | 93.5 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 42% | 0.423 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.7 | 172.2 | -57 | 0 | 0 | 0 | 0 | 109.7 | Q170 F171 A172 I176 | Q170-T174 CarbonylContact C-O 3.58Å; Q170-T174 WeakPolarHBondContact CA-O 3.48Å; F171-T174 PolarHBondContact N-O 3.17Å; F171-T174 WeakPolarHBondContact O-CB 3.45Å; F171-T174 PolarHBondContact O-N 2.75Å; A172-T174 PolarHBondContact O-N 2.8Å; T174-I176 PolarHBondContact O-N 3.45Å |
| 175 | V | 95.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 35% | 0.345 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 114.7 | 178 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | Q168 Q170 G177 K178 | Q168-V175 HydrophobicContact CB-CG1 4.41Å; Q170-V175 HydrophobicContact CG-CG2 4.03Å; V175-G177 WeakPolarHBondContact CG1-O 2.88Å; V175-K178 HydrophobicContact CG1-CD 4.33Å; V175-K178 HydrophobicContact CG1-CG 3.79Å |
| 176 | I | 95.3 | Very high | 93 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -7.3 | -178.3 | 58.1 | 162 | 0 | 0 | 0 | 113.1 | V169 F171 T174 T201 I202 I203 L226 | V169-I176 HydrophobicContact CB-CG1 4.3Å; V169-I176 HydrophobicContact CG1-CD1 4.05Å; V169-I176 HydrophobicContact CG1-CG1 4Å; V169-I176 WeakPolarHBondContact O-CG1 3.48Å; V169-I176 PolarHBondContact O-N 3.29Å; F171-I176 HydrophobicContact CB-CD1 3.92Å; F171-I176 HydrophobicContact CB-CG1 4.33Å; F171-I176 HydrophobicContact CB-CG2 4.04Å; T174-I176 PolarHBondContact O-N 3.45Å; I176-T201 WeakPolarHBondContact O-CA 3.37Å; I176-I202 PolarHBondContact O-N 3.03Å; I176-I203 HydrophobicContact CD1-CD1 4.27Å; I176-I203 HydrophobicContact CD1-CG1 3.92Å; I176-L226 HydrophobicContact CD1-CD2 3.77Å |
| 177 | G | 95.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 149.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q168 V169 V175 P200 | Q168-G177 WeakPolarHBondContact CA-O 3.33Å; V169-G177 PolarHBondContact N-O 3.23Å; V169-G177 PolarHBondContact O-N 2.8Å; V175-G177 WeakPolarHBondContact CG1-O 2.88Å; G177-P200 WeakPolarHBondContact CA-O 3.24Å |
| 178 | K | 96.6 | Very high | 92.8 | Very high | 142 Ų | 142 | 61.1 Ų | 61.1 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.3 | 176.9 | -63.3 | -175.8 | -179.8 | 175.9 | 0 | 109.2 | A167 Q168 V175 | A167-K178 CarbonylContact O-C 3.48Å; A167-K178 WeakPolarHBondContact O-CA 3.43Å; Q168-K178 HydrophobicContact CG-CG 4.25Å; V175-K178 HydrophobicContact CG1-CD 4.33Å; V175-K178 HydrophobicContact CG1-CG 3.79Å |
| 179 | A | 96.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T166 A167 V199 | T166-A179 WeakPolarHBondContact CA-O 3.36Å; A167-A179 PolarHBondContact N-O 2.87Å; A167-A179 PolarHBondContact O-N 3.39Å; A179-V199 HydrophobicContact CB-CB 4.33Å; A179-V199 HydrophobicContact CB-CG1 4.12Å; A179-V199 HydrophobicContact CB-CG2 4.05Å |
| 180 | R | 95.4 | Very high | 92.6 | Very high | 156 Ų | 156 | 66.6 Ų | 66.6 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 124.1 | 172.8 | -178.2 | 173.5 | -177.8 | 170.5 | 8.1 | 108.9 | N164 I165 T166 N182 | N164-R180 PolarHBondContact ND2-NH2 3Å; I165-R180 CarbonylContact O-C 3.56Å; I165-R180 WeakPolarHBondContact O-CA 3.4Å; T166-R180 HydrophobicContact CG2-CB 4.33Å; T166-R180 HydrophobicContact CG2-CG 3.88Å; R180-N182 WeakPolarHBondContact CG-OD1 3.19Å; R180-N182 PolarHBondContact NE-OD1 2.77Å |
| 181 | L | 93.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 68.7 Ų | 68.7 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.4 | 173 | -65.2 | 86.4 | 0 | 0 | 0 | 107.1 | N164 I165 I184 | N164-L181 CarbonylContact C-O 3.49Å; N164-L181 WeakPolarHBondContact CA-O 3.37Å; N164-L181 VanDerWaalsContact CB-O 3.28Å; N164-L181 WeakPolarHBondContact CB-O 3.37Å; I165-L181 PolarHBondContact N-O 2.86Å; I165-L181 PolarHBondContact O-N 3.03Å; L181-I184 HydrophobicContact CB-CD1 3.64Å; L181-I184 HydrophobicContact CB-CG1 3.98Å |
| 182 | N | 91.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 71.6 Ų | 71.6 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151.3 | -179.5 | -60.3 | -38 | 0 | 0 | 0 | 109.7 | E163 N164 R180 | E163-N182 CarbonylContact O-C 3.56Å; E163-N182 WeakPolarHBondContact O-CA 3.4Å; N164-N182 WeakPolarHBondContact CB-OD1 3.39Å; R180-N182 WeakPolarHBondContact CG-OD1 3.19Å; R180-N182 PolarHBondContact NE-OD1 2.77Å |
| 183 | N | 81.3 | Confident | 92.8 | Very high | 118 Ų | 118 | 71.6 Ų | 71.6 | 63% | 0.631 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 44.5 | 65.8 | 178.2 | -166.2 | -4.3 | 0 | 0 | 0 | 112.4 | E163 | E163-N183 PolarHBondContact O-N 2.99Š|
| 184 | I | 82.4 | Confident | 93 | Very high | 40 Ų | 40 | 68.7 Ų | 68.7 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | trans | -80.9 | -66.1 | -167.2 | -59.4 | 178.1 | 0 | 0 | 0 | 109.7 | V162 I165 L181 I195 | V162-I184 HydrophobicContact CB-CB 4.47Å; V162-I184 HydrophobicContact CG1-CB 4.31Å; V162-I184 HydrophobicContact CG1-CD1 4.16Å; V162-I184 PolarHBondContact O-N 3.46Å; I165-I184 HydrophobicContact CB-CD1 3.66Å; I165-I184 HydrophobicContact CD1-CD1 3.24Å; I165-I184 HydrophobicContact CG1-CD1 3.28Å; L181-I184 HydrophobicContact CB-CD1 3.64Å; L181-I184 HydrophobicContact CB-CG1 3.98Å; I184-I195 HydrophobicContact CG2-CD1 3.8Å; I184-I195 HydrophobicContact CG2-CG1 4.16Å; I184-I195 HydrophobicContact CG2-CG2 3.99Å | ||
| 185 | T | 89.1 | Confident | 93 | Very high | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | trans | -163.4 | 157.2 | -176.5 | 53.8 | 0 | 0 | 0 | 0 | 111 | V162 | V162-T185 WeakPolarHBondContact CB-O 3.14Å; V162-T185 WeakPolarHBondContact CG2-O 3.35Å; V162-T185 PolarHBondContact N-O 3.08Å | ||
| 186 | N | 92.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 40% | 0.396 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 137.2 | 163.6 | -177.2 | -56.7 | 0 | 0 | 0 | 110.5 | S159 V160 K193 | S159-N186 PolarHBondContact OG-ND2 2.91Å; S159-N186 PolarHBondContact OG-OD1 2.74Å; V160-N186 WeakPolarHBondContact O-CA 3.41Å; N186-K193 WeakPolarHBondContact O-CE 3.2Å; N186-K193 PolarHBondContact O-NZ 2.96Å |
| 187 | I | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.7 | 174.6 | -53.2 | 176.2 | 0 | 0 | 0 | 108.6 | I152 N154 S159 V160 V162 D191 K193 | I152-I187 HydrophobicContact CB-CD1 3.68Å; I152-I187 HydrophobicContact CG2-CD1 3.37Å; N154-I187 HydrophobicContact CB-CB 4.28Å; N154-I187 HydrophobicContact CB-CG2 3.62Å; S159-I187 WeakPolarHBondContact CA-O 3.35Å; V160-I187 PolarHBondContact N-O 2.84Å; V160-I187 PolarHBondContact O-N 2.97Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.11Å; I187-D191 HydrophobicContact CG2-CB 4.14Å; I187-D191 WeakPolarHBondContact CG2-O 3.4Å; I187-K193 HydrophobicContact CG1-CB 4.3Å; I187-K193 HydrophobicContact CG1-CD 4.21Å; I187-K193 HydrophobicContact CG1-CG 4.36Å |
| 188 | G | 94.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 68.3 Ų | 68.3 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | trans | -66.7 | 171.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | N154 L190 D191 | N154-G188 PolarHBondContact ND2-O 2.57Å; G188-L190 PolarHBondContact O-N 3.37Å; G188-D191 WeakPolarHBondContact O-CB 3.07Å; G188-D191 PolarHBondContact O-N 3.2Å | ||
| 189 | P | 94.4 | Very high | 92.8 | Very high | 72 Ų | 72 | 61.6 Ų | 61.6 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 132.7 | 171.1 | -23.6 | 34.8 | 0 | 0 | 0 | 111.7 | N156 Y157 D191 | N156-P189 CarbonylContact O-C 3.58Å; N156-P189 WeakPolarHBondContact O-CA 3.43Å; Y157-P189 WeakPolarHBondContact O-CB 3.45Å; P189-D191 PolarHBondContact O-N 2.89Å |
| 190 | L | 93.9 | Very high | 92.9 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 23 | 179.4 | -55.8 | 179.7 | 0 | 0 | 0 | 114.3 | N154 N155 N156 Y157 G188 | N154-L190 CarbonylContact O-C 3.57Å; N154-L190 WeakPolarHBondContact O-CA 3.31Å; N154-L190 PolarHBondContact O-N 2.76Å; N155-L190 VanDerWaalsContact O-CD2 3.31Å; N155-L190 WeakPolarHBondContact O-CD2 3.44Å; N156-L190 PolarHBondContact O-N 2.89Å; Y157-L190 HydrophobicContact CD1-CD1 3.9Å; Y157-L190 HydrophobicContact CD1-CD2 4.37Å; Y157-L190 HydrophobicContact CD1-CG 4.18Å; Y157-L190 HydrophobicContact CE1-CD1 3.74Å; Y157-L190 HydrophobicContact CE1-CD2 4.33Å; Y157-L190 HydrophobicContact CE1-CG 4.35Å; G188-L190 PolarHBondContact O-N 3.37Å |
| 191 | D | 95.1 | Very high | 92.9 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | trans | -104.1 | 162.9 | -174.3 | -169.2 | 26.2 | 0 | 0 | 0 | 111.3 | N154 I187 G188 P189 | N154-D191 PolarHBondContact N-O 3.42Å; N154-D191 PolarHBondContact O-N 3.06Å; I187-D191 HydrophobicContact CG2-CB 4.14Å; I187-D191 WeakPolarHBondContact CG2-O 3.4Å; G188-D191 WeakPolarHBondContact O-CB 3.07Å; G188-D191 PolarHBondContact O-N 3.2Å; P189-D191 PolarHBondContact O-N 2.89Å | ||
| 192 | M | 94.7 | Very high | 93 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.3 | -176.8 | -177.5 | -161 | 79.9 | 0 | 0 | 109.7 | N151 I152 T153 | N151-M192 PolarHBondContact ND2-SD 2.88Å; N151-M192 WeakPolarHBondContact OD1-CG 3.39Å; N151-M192 PolarHBondContact OD1-SD 3.45Å; I152-M192 WeakPolarHBondContact O-CA 3.21Å; T153-M192 HydrophobicContact CG2-CB 4.39Å |
| 193 | K | 93.4 | Very high | 93.1 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.6 | 175.5 | -71.1 | -168.1 | 176.3 | 179.3 | 0 | 112.2 | I152 N186 I187 | I152-K193 PolarHBondContact N-O 3.29Å; I152-K193 PolarHBondContact O-N 2.97Å; N186-K193 WeakPolarHBondContact O-CE 3.2Å; N186-K193 PolarHBondContact O-NZ 2.96Å; I187-K193 HydrophobicContact CG1-CB 4.3Å; I187-K193 HydrophobicContact CG1-CD 4.21Å; I187-K193 HydrophobicContact CG1-CG 4.36Å |
| 194 | Q | 94 | Very high | 93.6 | Very high | 121 Ų | 121 | 49.3 Ų | 49.3 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.1 | 170.1 | -67.3 | -175.3 | 3.5 | 0 | 0 | 110.2 | I126 T149 L150 | I126-Q194 HydrophobicContact CD1-CG 3.98Å; T149-Q194 HydrophobicContact CG2-CB 4.24Å; L150-Q194 CarbonylContact O-C 3.47Å; L150-Q194 WeakPolarHBondContact O-CA 3.37Å |
| 195 | I | 93.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.9 | -178.9 | -65.8 | 162.9 | 0 | 0 | 0 | 108.3 | L150 I152 I165 I184 | L150-I195 PolarHBondContact N-O 2.94Å; L150-I195 PolarHBondContact O-N 3.31Å; I152-I195 HydrophobicContact CD1-CD1 3.71Å; I152-I195 HydrophobicContact CG1-CD1 4.48Å; I165-I195 HydrophobicContact CD1-CD1 4.15Å; I165-I195 HydrophobicContact CD1-CG2 4.09Å; I184-I195 HydrophobicContact CG2-CD1 3.8Å; I184-I195 HydrophobicContact CG2-CG1 4.16Å; I184-I195 HydrophobicContact CG2-CG2 3.99Å |
| 196 | D | 94.1 | Very high | 93.8 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134 | 172.8 | -68.3 | -24.3 | 0 | 0 | 0 | 110.2 | K129 T147 N148 T149 | K129-D196 WeakPolarHBondContact CD-OD2 3.46Å; K129-D196 IonicContact NZ-OD2 2.87Å; K129-D196 PolarHBondContact NZ-OD2 3.48Å; T147-D196 HydrophobicContact CG2-CB 4.38Å; N148-D196 CarbonylContact O-C 3.56Å; N148-D196 VanDerWaalsContact O-CA 3.28Å; N148-D196 WeakPolarHBondContact O-CA 3.24Å; T149-D196 VanDerWaalsContact CB-OD1 3.32Å; T149-D196 WeakPolarHBondContact CB-OD1 3.5Å; T149-D196 VanDerWaalsContact CG2-OD1 3.29Å; T149-D196 WeakPolarHBondContact CG2-OD1 3.33Å; T149-D196 PolarHBondContact OG1-OD1 3.19Å |
| 197 | Y | 93.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.4 | 175.7 | 68.8 | -78.8 | 0 | 0 | 0 | 110.8 | Y125 T147 N148 L150 A167 V199 | Y125-Y197 WeakPolarHBondContact CE2-OH 3.45Å; T147-Y197 CarbonylContact C-O 3.51Å; T147-Y197 WeakPolarHBondContact CA-O 3.45Å; N148-Y197 HydrophobicContact CB-CD1 4.03Å; N148-Y197 HydrophobicContact CB-CD2 4.49Å; N148-Y197 HydrophobicContact CB-CE1 3.39Å; N148-Y197 HydrophobicContact CB-CE2 3.96Å; N148-Y197 VanDerWaalsContact CB-CZ 3.41Å; N148-Y197 PolarHBondContact N-O 2.96Å; N148-Y197 WeakPolarHBondContact O-CD1 3.42Å; N148-Y197 PolarHBondContact O-N 2.91Å; L150-Y197 HydrophobicContact CD1-CD1 3.8Å; L150-Y197 HydrophobicContact CD1-CE1 3.64Å; L150-Y197 HydrophobicContact CD2-CD1 4.38Å; L150-Y197 HydrophobicContact CD2-CE1 3.48Å; L150-Y197 VanDerWaalsContact CD2-CE1 3.48Å; L150-Y197 HydrophobicContact CG-CD1 3.71Å; L150-Y197 HydrophobicContact CG-CE1 3.3Å; A167-Y197 HydrophobicContact CB-CD2 3.58Å; A167-Y197 HydrophobicContact CB-CE2 3.34Å; Y197-V199 HydrophobicContact CD2-CG2 3.8Å; Y197-V199 HydrophobicContact CE2-CG2 3.78Å |
| 198 | T | 95.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.5 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | N145 I146 T147 | N145-T198 HydrophobicContact CB-CG2 4.05Å; I146-T198 CarbonylContact O-C 3.5Å; I146-T198 WeakPolarHBondContact O-CA 3.35Å; T147-T198 PolarHBondContact OG1-OG1 3.49Å |
| 199 | V | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.9 | 172.9 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | I146 A167 V169 A179 Y197 T201 | I146-V199 PolarHBondContact N-O 2.85Å; I146-V199 PolarHBondContact O-N 2.61Å; A167-V199 HydrophobicContact CB-CG2 3.68Å; V169-V199 HydrophobicContact CG2-CB 3.85Å; V169-V199 HydrophobicContact CG2-CG1 3.76Å; V169-V199 HydrophobicContact CG2-CG2 4.15Å; A179-V199 HydrophobicContact CB-CB 4.33Å; A179-V199 HydrophobicContact CB-CG1 4.12Å; A179-V199 HydrophobicContact CB-CG2 4.05Å; Y197-V199 HydrophobicContact CD2-CG2 3.8Å; Y197-V199 HydrophobicContact CE2-CG2 3.78Å; V199-T201 HydrophobicContact CB-CG2 4.4Å; V199-T201 HydrophobicContact CG1-CG2 4.1Å |
| 200 | P | 96.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.4 | 167.5 | 30.7 | -31.3 | 0 | 0 | 0 | 108.7 | G177 | G177-P200 WeakPolarHBondContact CA-O 3.24Å |
| 201 | T | 96 | Very high | 93.2 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.6 | -176.8 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | L144 I146 V169 I176 V199 | L144-T201 VanDerWaalsContact CB-OG1 3.26Å; L144-T201 WeakPolarHBondContact CB-OG1 3.48Å; L144-T201 PolarHBondContact N-O 2.88Å; L144-T201 WeakPolarHBondContact O-CA 3.48Å; L144-T201 PolarHBondContact O-N 3.46Å; L144-T201 PolarHBondContact O-OG1 3.37Å; I146-T201 HydrophobicContact CD1-CG2 3.95Å; I146-T201 HydrophobicContact CG1-CG2 4.45Å; V169-T201 HydrophobicContact CB-CG2 3.64Å; V169-T201 HydrophobicContact CG1-CG2 3.92Å; V169-T201 HydrophobicContact CG2-CG2 3.72Å; I176-T201 WeakPolarHBondContact O-CA 3.37Å; V199-T201 HydrophobicContact CB-CG2 4.4Å; V199-T201 HydrophobicContact CG1-CG2 4.1Å |
| 202 | I | 95.2 | Very high | 93 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 120.9 | -176 | -52.6 | 178.5 | 0 | 0 | 0 | 107.4 | T141 I142 Y143 I176 A204 | T141-I202 HydrophobicContact CG2-CG2 3.6Å; I142-I202 WeakPolarHBondContact O-CA 3.24Å; Y143-I202 HydrophobicContact CD1-CD1 4.26Å; Y143-I202 HydrophobicContact CD1-CG1 3.87Å; Y143-I202 HydrophobicContact CD1-CG2 4.29Å; Y143-I202 HydrophobicContact CE1-CD1 3.97Å; Y143-I202 HydrophobicContact CE1-CG1 4.03Å; Y143-I202 HydrophobicContact CE1-CG2 4.02Å; I176-I202 PolarHBondContact O-N 3.03Å; I202-A204 HydrophobicContact CG2-CB 4.15Å |
| 203 | I | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.4 | 172.2 | -54.8 | 179.3 | 0 | 0 | 0 | 106.9 | I142 L144 I176 M207 M210 I224 | I142-I203 HydrophobicContact CB-CB 4.28Å; I142-I203 HydrophobicContact CD1-CB 4.43Å; I142-I203 PolarHBondContact N-O 2.86Å; I142-I203 PolarHBondContact O-N 3.4Å; L144-I203 HydrophobicContact CD1-CD1 3.76Å; L144-I203 HydrophobicContact CD1-CG1 4.02Å; I176-I203 HydrophobicContact CD1-CD1 4.27Å; I176-I203 HydrophobicContact CD1-CG1 3.92Å; I203-M207 HydrophobicContact CG2-CB 3.48Å; I203-M207 VanDerWaalsContact CG2-CB 3.48Å; I203-M207 WeakPolarHBondContact CG2-O 3.38Å; I203-M210 HydrophobicContact CG2-CB 3.92Å; I203-I224 HydrophobicContact CD1-CD1 3.76Å |
| 204 | A | 92.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | trans | -142.9 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T141 I202 E206 M207 | T141-A204 HydrophobicContact CG2-CB 4.03Å; I202-A204 HydrophobicContact CG2-CB 4.15Å; A204-E206 PolarHBondContact O-N 2.99Å; A204-M207 PolarHBondContact O-N 3.28Å | ||
| 205 | E | 88.9 | Confident | 92.7 | Very high | 169 Ų | 169 | 52.4 Ų | 52.4 | 79% | 0.79 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 57.7 | -115.1 | 169.4 | -58.1 | 175.7 | -174.8 | 0 | 0 | 113 | M207 S208 | E205-M207 PolarHBondContact O-N 2.97Å; E205-M207 VanDerWaalsContact O-N 3.12Å; E205-S208 WeakPolarHBondContact O-CB 3.46Å; E205-S208 PolarHBondContact O-N 2.83Å; E205-S208 PolarHBondContact O-OG 2.99Å |
| 206 | E | 87.9 | Confident | 92.6 | Very high | 167 Ų | 167 | 55.3 Ų | 55.3 | 78% | 0.78 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.6 | 179.6 | -62 | -176.1 | 173.2 | 0 | 0 | 112.8 | A204 Y209 | A204-E206 PolarHBondContact O-N 2.99Å; E206-Y209 WeakPolarHBondContact O-CD1 3.26Å; E206-Y209 VanDerWaalsContact O-CE1 3.31Å; E206-Y209 WeakPolarHBondContact O-CE1 3.37Å |
| 207 | M | 90.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 60 Ų | 60 | 14% | 0.138 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -102.3 | 11.5 | 178.7 | -56.1 | -63 | 175.3 | 0 | 0 | 113 | F171 I203 A204 E205 Y209 M210 | F171-M207 HydrophobicContact CD1-CE 4.38Å; F171-M207 HydrophobicContact CD1-CG 4.3Å; F171-M207 HydrophobicContact CD1-SD 3.86Å; F171-M207 HydrophobicContact CE1-SD 3.8Å; I203-M207 HydrophobicContact CG2-CB 3.48Å; I203-M207 VanDerWaalsContact CG2-CB 3.48Å; I203-M207 WeakPolarHBondContact CG2-O 3.38Å; A204-M207 PolarHBondContact O-N 3.28Å; E205-M207 PolarHBondContact O-N 2.97Å; E205-M207 VanDerWaalsContact O-N 3.12Å; M207-Y209 HydrophobicContact CB-CE1 4.5Å; M207-Y209 PolarHBondContact O-N 2.89Å; M207-Y209 HydrophobicContact SD-CE1 3.77Å; M207-Y209 PolarHBondContact SD-OH 3.33Å; M207-M210 VanDerWaalsContact O-CB 3.27Å; M207-M210 WeakPolarHBondContact O-CB 3.46Å; M207-M210 PolarHBondContact O-N 3.48Å |
| 208 | S | 88.3 | Confident | 91.9 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.8 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 114 | E205 M210 Y211 | E205-S208 WeakPolarHBondContact O-CB 3.46Å; E205-S208 PolarHBondContact O-N 2.83Å; E205-S208 PolarHBondContact O-OG 2.99Å; S208-M210 PolarHBondContact O-N 3.24Å; S208-M210 VanDerWaalsContact O-N 3.11Å; S208-Y211 WeakPolarHBondContact O-CB 3.47Å; S208-Y211 PolarHBondContact O-N 2.88Å |
| 209 | Y | 90.3 | Very high | 91.5 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.4 | -22.2 | 173.4 | 66.7 | -89.5 | 0 | 0 | 0 | 112.9 | E206 M207 Y211 D212 F213 | E206-Y209 WeakPolarHBondContact O-CD1 3.26Å; E206-Y209 VanDerWaalsContact O-CE1 3.31Å; E206-Y209 WeakPolarHBondContact O-CE1 3.37Å; M207-Y209 HydrophobicContact CB-CE1 4.5Å; M207-Y209 PolarHBondContact O-N 2.89Å; M207-Y209 HydrophobicContact SD-CE1 3.77Å; M207-Y209 PolarHBondContact SD-OH 3.33Å; Y209-Y211 PolarHBondContact O-N 3.39Å; Y209-D212 PolarHBondContact O-N 2.94Å; Y209-F213 PolarHBondContact O-N 3.37Å |
| 210 | M | 92.5 | Very high | 90.8 | Very high | 13 Ų | 13 | 74.2 Ų | 74.2 | 6% | 0.064 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -26.6 | 175.6 | -147.6 | 59.3 | 55.5 | 0 | 0 | 112.4 | I142 F171 I203 M207 S208 D212 F213 C214 I224 | I142-M210 HydrophobicContact CD1-CB 3.95Å; I142-M210 HydrophobicContact CD1-CG 4.24Å; F171-M210 HydrophobicContact CE1-CE 3.56Å; F171-M210 HydrophobicContact CE2-CE 4.23Å; F171-M210 HydrophobicContact CZ-CE 3.28Å; F171-M210 HydrophobicContact CZ-SD 4.37Å; I203-M210 HydrophobicContact CG2-CB 3.92Å; M207-M210 VanDerWaalsContact O-CB 3.27Å; M207-M210 WeakPolarHBondContact O-CB 3.46Å; M207-M210 PolarHBondContact O-N 3.48Å; S208-M210 PolarHBondContact O-N 3.24Å; S208-M210 VanDerWaalsContact O-N 3.11Å; M210-D212 VanDerWaalsContact C-N 3.32Å; M210-D212 PolarHBondContact O-N 3.43Å; M210-F213 PolarHBondContact O-N 2.92Å; M210-F213 HydrophobicContact SD-CB 4.36Å; M210-F213 HydrophobicContact SD-CD1 4.15Å; M210-C214 WeakPolarHBondContact O-CB 3.27Å; M210-C214 PolarHBondContact O-N 3.36Å; M210-C214 PolarHBondContact O-SG 2.91Å; M210-I224 HydrophobicContact CG-CG2 4.29Å; M210-I224 HydrophobicContact SD-CG2 4.05Å |
| 211 | Y | 93.4 | Very high | 90.3 | Very high | 27 Ų | 27 | 75.1 Ų | 75.1 | 11% | 0.106 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 174.6 | 176.6 | -86 | 0 | 0 | 0 | 111.4 | Y135 R140 I142 S208 Y209 F213 C214 T215 | Y135-Y211 HydrophobicContact CD1-CD2 4.44Å; Y135-Y211 HydrophobicContact CD1-CE2 4.35Å; R140-Y211 HydrophobicContact CB-CD1 4.18Å; R140-Y211 HydrophobicContact CB-CD2 4.36Å; R140-Y211 HydrophobicContact CB-CG 3.95Å; R140-Y211 HydrophobicContact CG-CD1 4.17Å; R140-Y211 HydrophobicContact CG-CG 4.44Å; I142-Y211 HydrophobicContact CG1-CD2 4.35Å; S208-Y211 WeakPolarHBondContact O-CB 3.47Å; S208-Y211 PolarHBondContact O-N 2.88Å; Y209-Y211 PolarHBondContact O-N 3.39Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 3.33Å; Y211-C214 PolarHBondContact O-N 2.92Å; Y211-T215 HydrophobicContact CD2-CG2 4.44Å; Y211-T215 HydrophobicContact CE1-CG2 4.17Å; Y211-T215 HydrophobicContact CE2-CG2 4.11Å; Y211-T215 WeakPolarHBondContact O-CB 3.28Å; Y211-T215 WeakPolarHBondContact O-CG2 3.13Å; Y211-T215 PolarHBondContact O-N 3.39Å; Y211-T215 PolarHBondContact O-OG1 2.9Å |
| 212 | D | 91.8 | Very high | 90.1 | Very high | 71 Ų | 71 | 76 Ų | 76 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 180 | -66.7 | -33 | 0 | 0 | 0 | 110.3 | R140 Y209 M210 L216 | R140-D212 IonicContact CZ-OD1 3.03Å; R140-D212 IonicContact NH1-OD1 2.61Å; R140-D212 PolarHBondContact NH1-OD1 3.48Å; R140-D212 IonicContact NH1-OD2 3.78Å; R140-D212 PolarHBondContact NH1-OD2 3.3Å; Y209-D212 PolarHBondContact O-N 2.94Å; M210-D212 VanDerWaalsContact C-N 3.32Å; M210-D212 PolarHBondContact O-N 3.43Å; D212-L216 VanDerWaalsContact O-CB 3.28Å; D212-L216 WeakPolarHBondContact O-CB 3.47Å; D212-L216 PolarHBondContact O-N 3.16Å |
| 213 | F | 92.2 | Very high | 89.9 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 32% | 0.316 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -54.8 | 173.7 | 176.1 | -103.8 | 0 | 0 | 0 | 111.7 | Y209 M210 Y211 T215 L216 I219 H222 I224 | Y209-F213 PolarHBondContact O-N 3.37Å; M210-F213 PolarHBondContact O-N 2.92Å; M210-F213 HydrophobicContact SD-CB 4.36Å; M210-F213 HydrophobicContact SD-CD1 4.15Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 3.33Å; F213-T215 VanDerWaalsContact C-N 3.25Å; F213-T215 PolarHBondContact O-N 2.9Å; F213-L216 WeakPolarHBondContact O-CB 3.46Å; F213-L216 PolarHBondContact O-N 3.5Å; F213-L216 VanDerWaalsContact O-N 3.15Å; F213-I219 HydrophobicContact CD2-CD1 4.47Å; F213-I219 HydrophobicContact CE2-CD1 4.18Å; F213-H222 HydrophobicContact CE1-CB 4.31Å; F213-H222 PolarHBondContact O-CD2 2.84Å; F213-H222 PolarHBondContact O-NE2 3.06Å; F213-I224 HydrophobicContact CD1-CG2 4.26Å; F213-I224 HydrophobicContact CE1-CG2 4.04Å |
| 214 | C | 91.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.014 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -25.1 | -174.6 | -63.6 | 0 | 0 | 0 | 0 | 113.8 | Y135 I142 M210 Y211 C253 G254 | Y135-C214 HydrophobicContact CE1-CB 4.11Å; I142-C214 HydrophobicContact CD1-CB 3.99Å; I142-C214 WeakPolarHBondContact CD1-SG 3.1Å; M210-C214 WeakPolarHBondContact O-CB 3.27Å; M210-C214 PolarHBondContact O-N 3.36Å; M210-C214 PolarHBondContact O-SG 2.91Å; Y211-C214 PolarHBondContact O-N 2.92Å; C214-C253 HydrophobicContact CB-CB 3.92Å; C214-C253 WeakPolarHBondContact CB-O 3.15Å; C214-C253 WeakPolarHBondContact CB-SG 3.36Å; C214-C253 WeakPolarHBondContact SG-CB 3.26Å; C214-C253 CovalentContact SG-SG 2.03Å; C214-C253 PolarHBondContact SG-SG 3.49Å; C214-G254 WeakPolarHBondContact O-CA 3.47Å |
| 215 | T | 91.8 | Very high | 89.9 | Confident | 51 Ų | 51 | 77 Ų | 77 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.5 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | Y135 Y211 F213 I217 | Y135-T215 HydrophobicContact CD1-CG2 3.97Å; Y135-T215 HydrophobicContact CE1-CG2 3.91Å; Y135-T215 HydrophobicContact CG-CG2 4.42Å; Y211-T215 HydrophobicContact CD2-CG2 4.44Å; Y211-T215 HydrophobicContact CE1-CG2 4.17Å; Y211-T215 HydrophobicContact CE2-CG2 4.11Å; Y211-T215 WeakPolarHBondContact O-CB 3.28Å; Y211-T215 WeakPolarHBondContact O-CG2 3.13Å; Y211-T215 PolarHBondContact O-N 3.39Å; Y211-T215 PolarHBondContact O-OG1 2.9Å; F213-T215 VanDerWaalsContact C-N 3.25Å; F213-T215 PolarHBondContact O-N 2.9Å; T215-I217 PolarHBondContact O-N 3.43Å |
| 216 | L | 90.9 | Very high | 90.2 | Very high | 74 Ų | 74 | 69 Ų | 69 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | trans | -70.2 | 113.3 | -173.2 | -161.6 | 63.7 | 0 | 0 | 0 | 112.1 | D212 F213 S218 I219 H222 | D212-L216 VanDerWaalsContact O-CB 3.28Å; D212-L216 WeakPolarHBondContact O-CB 3.47Å; D212-L216 PolarHBondContact O-N 3.16Å; F213-L216 WeakPolarHBondContact O-CB 3.46Å; F213-L216 PolarHBondContact O-N 3.5Å; F213-L216 VanDerWaalsContact O-N 3.15Å; L216-S218 VanDerWaalsContact C-N 3.27Å; L216-S218 WeakPolarHBondContact CD2-OG 3.49Å; L216-S218 WeakPolarHBondContact CG-OG 3.36Å; L216-S218 PolarHBondContact O-N 2.89Å; L216-I219 HydrophobicContact CD2-CD1 3.82Å; L216-I219 HydrophobicContact CD2-CG1 4.02Å; L216-I219 PolarHBondContact O-N 3.28Å; L216-H222 PolarHBondContact O-NE2 3.49Å | ||
| 217 | I | 86.6 | Confident | 90.5 | Very high | 166 Ų | 166 | 62.1 Ų | 62.1 | 85% | 0.851 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.9 | -176.4 | -55.9 | 167.4 | 0 | 0 | 0 | 112.4 | T215 I219 | T215-I217 PolarHBondContact O-N 3.43Å; I217-I219 PolarHBondContact O-N 3.03Å |
| 218 | S | 87.3 | Confident | 90.7 | Very high | 99 Ų | 99 | 61 Ų | 61 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.3 | -179.2 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | L216 | L216-S218 VanDerWaalsContact C-N 3.27Å; L216-S218 WeakPolarHBondContact CD2-OG 3.49Å; L216-S218 WeakPolarHBondContact CG-OG 3.36Å; L216-S218 PolarHBondContact O-N 2.89Å |
| 219 | I | 85.1 | Confident | 91.1 | Very high | 67 Ų | 67 | 61.3 Ų | 61.3 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | trans | -108.7 | 130.7 | 178.8 | -55.6 | 178.7 | 0 | 0 | 0 | 107.8 | F213 L216 I217 V221 H222 | F213-I219 HydrophobicContact CD2-CD1 4.47Å; F213-I219 HydrophobicContact CE2-CD1 4.18Å; L216-I219 HydrophobicContact CD2-CD1 3.82Å; L216-I219 HydrophobicContact CD2-CG1 4.02Å; L216-I219 PolarHBondContact O-N 3.28Å; I217-I219 PolarHBondContact O-N 3.03Å; I219-V221 WeakPolarHBondContact CG2-O 3.41Å; I219-H222 PolarHBondContact O-CE1 3.41Å; I219-H222 PolarHBondContact O-NE2 3Å; I219-H222 VanDerWaalsContact O-NE2 3.1Å | ||
| 220 | K | 82.8 | Confident | 91.3 | Very high | 199 Ų | 199 | 55.4 Ų | 55.4 | 87% | 0.865 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -88.5 | -11.6 | 179.6 | -67.1 | -174.2 | 178.4 | -179.4 | 0 | 113.9 | ||
| 221 | V | 87.1 | Confident | 91.5 | Very high | 86 Ų | 86 | 56 Ų | 56 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | trans | -128.6 | 116.7 | -173.3 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | I219 N223 | I219-V221 WeakPolarHBondContact CG2-O 3.41Å; V221-N223 HydrophobicContact CG1-CB 4.38Å; V221-N223 VanDerWaalsContact CG1-ND2 3.25Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.29Å | ||
| 222 | H | 90.8 | Very high | 91.6 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | trans | -116.5 | 53.6 | -174.7 | -55.9 | 100.6 | 0 | 0 | 0 | 110.8 | F213 L216 I219 C253 | F213-H222 HydrophobicContact CE1-CB 4.31Å; F213-H222 PolarHBondContact O-CD2 2.84Å; F213-H222 PolarHBondContact O-NE2 3.06Å; L216-H222 PolarHBondContact O-NE2 3.49Å; I219-H222 PolarHBondContact O-CE1 3.41Å; I219-H222 PolarHBondContact O-NE2 3Å; I219-H222 VanDerWaalsContact O-NE2 3.1Å; H222-C253 PolarHBondContact O-N 3.01Å; H222-C253 PolarHBondContact O-SG 2.98Å | ||
| 223 | N | 91.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.9 | -178.7 | -69.7 | -29.8 | 0 | 0 | 0 | 111.2 | V221 Y250 V251 D252 | V221-N223 HydrophobicContact CG1-CB 4.38Å; V221-N223 VanDerWaalsContact CG1-ND2 3.25Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.29Å; N223-Y250 HydrophobicContact CB-CD1 4.4Å; N223-V251 CarbonylContact C-O 3.57Å; N223-V251 WeakPolarHBondContact CA-O 3.04Å; N223-D252 WeakPolarHBondContact OD1-CA 3.27Å; N223-D252 WeakPolarHBondContact OD1-CB 3.09Å |
| 224 | I | 92.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 147.4 | 171.5 | 60.4 | 171.5 | 0 | 0 | 0 | 110.2 | L144 I203 M210 F213 L226 Y250 V251 C253 | L144-I224 HydrophobicContact CD2-CD1 4.41Å; I203-I224 HydrophobicContact CD1-CD1 3.76Å; M210-I224 HydrophobicContact CG-CG2 4.29Å; M210-I224 HydrophobicContact SD-CG2 4.05Å; F213-I224 HydrophobicContact CD1-CG2 4.26Å; F213-I224 HydrophobicContact CE1-CG2 4.04Å; I224-L226 HydrophobicContact CD1-CD1 4.24Å; I224-L226 HydrophobicContact CD1-CD2 3.97Å; I224-L226 HydrophobicContact CD1-CG 4.22Å; I224-L226 HydrophobicContact CG1-CD2 4.4Å; I224-L226 HydrophobicContact CG1-CG 4.28Å; I224-Y250 CarbonylContact O-C 3.56Å; I224-Y250 WeakPolarHBondContact O-CA 3.29Å; I224-V251 HydrophobicContact CG1-CB 4.48Å; I224-V251 WeakPolarHBondContact CG1-O 3.42Å; I224-V251 PolarHBondContact N-O 3.2Å; I224-V251 PolarHBondContact O-N 3.45Å; I224-C253 HydrophobicContact CD1-CB 4.14Å; I224-C253 HydrophobicContact CG1-CB 4.32Å |
| 225 | V | 93.4 | Very high | 91.9 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.5 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | F171 Y248 Y250 | F171-V225 WeakPolarHBondContact CD2-O 3.47Å; V225-Y248 HydrophobicContact CG1-CD1 4Å; V225-Y250 HydrophobicContact CG2-CD1 3.57Å; V225-Y250 HydrophobicContact CG2-CE1 3.23Å; V225-Y250 HydrophobicContact CG2-CG 4.43Å |
| 226 | L | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.8 | 176.7 | -59.4 | 178.7 | 0 | 0 | 0 | 109.8 | I146 V169 F171 I176 I224 M228 Y248 Q249 V251 | I146-L226 HydrophobicContact CD1-CD1 3.37Å; V169-L226 HydrophobicContact CG1-CB 3.96Å; V169-L226 HydrophobicContact CG1-CD1 3.9Å; V169-L226 HydrophobicContact CG1-CD2 4.35Å; V169-L226 HydrophobicContact CG1-CG 4.29Å; F171-L226 HydrophobicContact CB-CD2 3.97Å; F171-L226 HydrophobicContact CD2-CD2 3.88Å; F171-L226 HydrophobicContact CG-CD2 4.37Å; I176-L226 HydrophobicContact CD1-CD2 3.77Å; I224-L226 HydrophobicContact CD1-CD1 4.24Å; I224-L226 HydrophobicContact CD1-CD2 3.97Å; I224-L226 HydrophobicContact CD1-CG 4.22Å; I224-L226 HydrophobicContact CG1-CD2 4.4Å; I224-L226 HydrophobicContact CG1-CG 4.28Å; L226-M228 HydrophobicContact CB-SD 4.39Å; L226-Y248 CarbonylContact O-C 3.58Å; L226-Y248 WeakPolarHBondContact O-CA 3.47Å; L226-Q249 PolarHBondContact N-O 2.77Å; L226-Q249 PolarHBondContact O-N 3.4Å; L226-V251 HydrophobicContact CD1-CB 4.04Å; L226-V251 HydrophobicContact CD1-CG2 3.93Å |
| 227 | M | 95 | Very high | 91.8 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 112.8 | 169.4 | -168 | 173.2 | 78.4 | 0 | 0 | 108.7 | Q170 Y248 | Q170-M227 HydrophobicContact CB-CB 4.24Å; Q170-M227 HydrophobicContact CB-CE 4.25Å; Q170-M227 HydrophobicContact CG-CE 4.04Å; Q170-M227 PolarHBondContact N-O 3.29Å; Q170-M227 PolarHBondContact O-N 2.81Å; M227-Y248 HydrophobicContact CB-CD1 3.9Å; M227-Y248 HydrophobicContact CB-CE1 3.69Å; M227-Y248 HydrophobicContact CG-CD1 4.16Å; M227-Y248 HydrophobicContact CG-CE1 3.82Å; M227-Y248 HydrophobicContact SD-CE1 3.87Å; M227-Y248 HydrophobicContact SD-CE2 4.45Å; M227-Y248 PolarHBondContact SD-OH 2.89Å |
| 228 | M | 94.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119.3 | 174.6 | -54 | -57.2 | -61.7 | 0 | 0 | 107.6 | Y125 I146 N148 V169 L226 E246 R247 Q249 | Y125-M228 HydrophobicContact CE2-CB 4.23Å; Y125-M228 HydrophobicContact CE2-CG 4.48Å; I146-M228 HydrophobicContact CG2-CE 4.42Å; N148-M228 WeakPolarHBondContact ND2-CE 3.39Å; V169-M228 HydrophobicContact CB-SD 4.36Å; V169-M228 HydrophobicContact CG1-SD 3.92Å; V169-M228 HydrophobicContact CG2-CE 3.46Å; V169-M228 VanDerWaalsContact CG2-CE 3.46Å; V169-M228 HydrophobicContact CG2-SD 3.69Å; L226-M228 HydrophobicContact CB-SD 4.39Å; M228-E246 CarbonylContact O-C 3.56Å; M228-E246 VanDerWaalsContact O-CA 3.25Å; M228-E246 WeakPolarHBondContact O-CA 3.42Å; M228-R247 PolarHBondContact N-O 2.92Å; M228-R247 PolarHBondContact O-N 3.03Å; M228-Q249 HydrophobicContact CG-CB 4.17Å |
| 229 | Q | 95.8 | Very high | 91.9 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.9 | 174.2 | -173.8 | -178.7 | 17.6 | 0 | 0 | 108.5 | A167 Q168 Q245 | A167-Q229 CarbonylContact C-O 3.48Å; A167-Q229 WeakPolarHBondContact CA-O 3.23Å; Q168-Q229 HydrophobicContact CB-CB 4.43Å; Q168-Q229 PolarHBondContact N-O 2.84Å; Q168-Q229 PolarHBondContact O-N 3.4Å; Q229-Q245 WeakPolarHBondContact CA-O 3.28Å |
| 230 | V | 95.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.2 | -180 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | L150 I165 T166 A167 S244 Q245 | L150-V230 HydrophobicContact CD1-CG2 3.67Å; L150-V230 HydrophobicContact CD2-CG1 3.9Å; L150-V230 HydrophobicContact CD2-CG2 4.35Å; I165-V230 HydrophobicContact CG2-CG2 3.6Å; T166-V230 CarbonylContact O-C 3.58Å; T166-V230 WeakPolarHBondContact O-CA 3.49Å; A167-V230 HydrophobicContact CB-CG2 4.49Å; V230-S244 CarbonylContact O-C 3.53Å; V230-S244 VanDerWaalsContact O-CA 3.24Å; V230-S244 WeakPolarHBondContact O-CA 3.45Å; V230-Q245 HydrophobicContact CG1-CB 3.95Å; V230-Q245 PolarHBondContact N-O 3.46Å; V230-Q245 PolarHBondContact O-N 2.9Å |
| 231 | T | 95.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.4 | 173.9 | -54.1 | 0 | 0 | 0 | 0 | 108.2 | I165 T166 Q242 I243 S244 | I165-T231 WeakPolarHBondContact CA-O 3.5Å; T166-T231 PolarHBondContact N-O 3.23Å; T166-T231 PolarHBondContact O-N 3.4Å; T166-T231 WeakPolarHBondContact OG1-CB 3.5Å; T166-T231 PolarHBondContact OG1-O 2.79Å; T231-Q242 HydrophobicContact CG2-CB 4.27Å; T231-I243 CarbonylContact C-O 3.55Å; T231-I243 WeakPolarHBondContact CA-O 3.31Å; T231-S244 WeakPolarHBondContact OG1-CB 3.22Å |
| 232 | V | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | V123 L150 I152 V162 I165 T234 Q242 I243 | V123-V232 HydrophobicContact CG1-CG2 3.76Å; V123-V232 HydrophobicContact CG2-CB 4.1Å; V123-V232 HydrophobicContact CG2-CG2 3.93Å; L150-V232 HydrophobicContact CD1-CG2 4.35Å; I152-V232 HydrophobicContact CD1-CG1 3.82Å; I152-V232 HydrophobicContact CD1-CG2 4.16Å; V162-V232 HydrophobicContact CG1-CG1 4.03Å; I165-V232 HydrophobicContact CD1-CG2 4.39Å; I165-V232 HydrophobicContact CG1-CB 4.46Å; I165-V232 HydrophobicContact CG1-CG1 4.16Å; I165-V232 HydrophobicContact CG1-CG2 4.14Å; V232-T234 HydrophobicContact CG1-CG2 3.9Å; V232-Q242 WeakPolarHBondContact O-CA 3.45Å; V232-I243 PolarHBondContact N-O 3.07Å; V232-I243 PolarHBondContact O-N 2.77Å |
| 233 | T | 95.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 120.3 | 171 | -49.9 | 0 | 0 | 0 | 0 | 108.7 | E163 N164 E241 Q242 | E163-T233 HydrophobicContact CB-CG2 4.48Å; E163-T233 PolarHBondContact N-O 3.34Å; N164-T233 PolarHBondContact N-O 3.38Å; N164-T233 PolarHBondContact O-N 3.44Å; N164-T233 WeakPolarHBondContact OD1-CB 3.32Å; N164-T233 PolarHBondContact OD1-OG1 3.12Å; T233-E241 WeakPolarHBondContact CA-O 3.48Å; T233-Q242 HydrophobicContact CG2-CG 3.85Å |
| 234 | T | 94 | Very high | 93.3 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.4 | 178.5 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | I121 V160 E161 V162 V232 S240 E241 | I121-T234 HydrophobicContact CD1-CG2 4.33Å; I121-T234 WeakPolarHBondContact CD1-OG1 3.37Å; V160-T234 HydrophobicContact CG1-CG2 4.12Å; E161-T234 CarbonylContact O-C 3.59Å; E161-T234 VanDerWaalsContact O-CA 3.24Å; E161-T234 WeakPolarHBondContact O-CA 3.06Å; V162-T234 HydrophobicContact CG2-CG2 4.27Å; V232-T234 HydrophobicContact CG1-CG2 3.9Å; T234-S240 CarbonylContact O-C 3.59Å; T234-S240 WeakPolarHBondContact O-CA 3.45Å; T234-E241 PolarHBondContact N-O 2.91Å; T234-E241 PolarHBondContact O-N 3.05Å |
| 235 | T | 93.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.6 | -180 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | E161 E163 H239 S240 | E161-T235 WeakPolarHBondContact CB-OG1 3.4Å; E161-T235 PolarHBondContact N-O 3.11Å; E161-T235 PolarHBondContact O-N 3.48Å; E161-T235 PolarHBondContact O-OG1 3.04Å; E163-T235 HydrophobicContact CB-CG2 4.09Å; E163-T235 WeakPolarHBondContact OE2-CG2 3.46Å; T235-H239 CarbonylContact C-O 3.57Å; T235-H239 VanDerWaalsContact CA-O 3.26Å; T235-H239 WeakPolarHBondContact CA-O 3.27Å; T235-S240 WeakPolarHBondContact CG2-OG 3.09Å |
| 236 | Y | 91.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 138.6 | 174.9 | 56.5 | -92.8 | 0 | 0 | 0 | 110.2 | P118 I121 Y158 V160 G238 H239 E241 | P118-Y236 HydrophobicContact CB-CE2 4.09Å; I121-Y236 HydrophobicContact CD1-CD1 4.36Å; I121-Y236 HydrophobicContact CD1-CE1 4.21Å; Y158-Y236 AromaticContact CE2-CD2 3.74Å; Y158-Y236 HydrophobicContact CE2-CD2 3.74Å; Y158-Y236 AromaticContact CE2-CG 3.75Å; Y158-Y236 HydrophobicContact CE2-CG 3.75Å; Y158-Y236 AromaticContact CZ-CD2 3.93Å; Y158-Y236 WeakPolarHBondContact OH-CD2 3.4Å; Y158-Y236 WeakPolarHBondContact OH-CE2 3.28Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å; V160-Y236 HydrophobicContact CG2-CD1 4.4Å; Y236-G238 PolarHBondContact O-N 2.96Å; Y236-H239 HydrophobicContact CE2-CB 4.36Å; Y236-H239 PolarHBondContact N-O 2.99Å; Y236-H239 WeakPolarHBondContact O-CA 3.46Å; Y236-H239 WeakPolarHBondContact O-CB 3.33Å; Y236-H239 PolarHBondContact O-N 3.21Å; Y236-E241 HydrophobicContact CE1-CB 4.14Å; Y236-E241 PolarHBondContact OH-OE2 3.35Å |
| 237 | F | 88.9 | Confident | 93.4 | Very high | 133 Ų | 133 | 56.9 Ų | 56.9 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 31.8 | -178.5 | -58.9 | -57.9 | 0 | 0 | 0 | 115.2 | L116 Y158 H239 | L116-F237 HydrophobicContact CD2-CE2 4.28Å; L116-F237 HydrophobicContact CD2-CZ 3.94Å; Y158-F237 AromaticContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CZ 4.04Å; Y158-F237 HydrophobicContact CD2-CD2 4.32Å; Y158-F237 AromaticContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CZ 4.17Å; Y158-F237 HydrophobicContact CE1-CD2 4.41Å; Y158-F237 AromaticContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE2-CD2 4.11Å; Y158-F237 AromaticContact CE2-CE2 3.79Å; Y158-F237 HydrophobicContact CE2-CE2 3.79Å; Y158-F237 AromaticContact CG-CE2 3.52Å; Y158-F237 HydrophobicContact CG-CE2 3.52Å; Y158-F237 AromaticContact CG-CZ 3.79Å; Y158-F237 HydrophobicContact CG-CZ 3.79Å; Y158-F237 AromaticContact CZ-CE2 3.76Å; F237-H239 PolarHBondContact O-N 3.44Å |
| 238 | G | 85.6 | Confident | 93.3 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 85% | 0.845 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 1.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y236 | Y236-G238 PolarHBondContact O-N 2.96Š|
| 239 | H | 88.8 | Confident | 93.1 | Very high | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.597 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 142.9 | 168.6 | -68.9 | -75.3 | 0 | 0 | 0 | 110.6 | T235 Y236 F237 | T235-H239 CarbonylContact C-O 3.57Å; T235-H239 VanDerWaalsContact CA-O 3.26Å; T235-H239 WeakPolarHBondContact CA-O 3.27Å; Y236-H239 HydrophobicContact CE2-CB 4.36Å; Y236-H239 PolarHBondContact N-O 2.99Å; Y236-H239 WeakPolarHBondContact O-CA 3.46Å; Y236-H239 WeakPolarHBondContact O-CB 3.33Å; Y236-H239 PolarHBondContact O-N 3.21Å; F237-H239 PolarHBondContact O-N 3.44Å |
| 240 | S | 91.9 | Very high | 92.9 | Very high | 80 Ų | 80 | 69.2 Ų | 69.2 | 56% | 0.559 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.3 | 172.7 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | T234 T235 | T234-S240 CarbonylContact O-C 3.59Å; T234-S240 WeakPolarHBondContact O-CA 3.45Å; T235-S240 WeakPolarHBondContact CG2-OG 3.09Å |
| 241 | E | 91.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 69.2 Ų | 69.2 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.3 | 173.8 | -174.4 | 176.9 | -173.3 | 0 | 0 | 109.1 | T233 T234 Y236 I243 | T233-E241 WeakPolarHBondContact CA-O 3.48Å; T234-E241 PolarHBondContact N-O 2.91Å; T234-E241 PolarHBondContact O-N 3.05Å; Y236-E241 HydrophobicContact CE1-CB 4.14Å; Y236-E241 PolarHBondContact OH-OE2 3.35Å; E241-I243 HydrophobicContact CG-CG1 4.25Å |
| 242 | Q | 94.6 | Very high | 92.6 | Very high | 139 Ų | 139 | 69.2 Ų | 69.2 | 65% | 0.65 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.2 | 177.3 | -71.5 | -178.7 | 48.9 | 0 | 0 | 110.1 | T231 V232 T233 | T231-Q242 HydrophobicContact CG2-CB 4.27Å; V232-Q242 WeakPolarHBondContact O-CA 3.45Å; T233-Q242 HydrophobicContact CG2-CG 3.85Å |
| 243 | I | 94.5 | Very high | 92.5 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 17% | 0.174 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 121.3 | -178.9 | -56.7 | -179.4 | 0 | 0 | 0 | 107.8 | I121 V123 T231 V232 E241 | I121-I243 HydrophobicContact CB-CD1 3.88Å; I121-I243 HydrophobicContact CG2-CD1 4.34Å; I121-I243 WeakPolarHBondContact O-CD1 3.45Å; V123-I243 HydrophobicContact CB-CG2 4.17Å; V123-I243 HydrophobicContact CG2-CB 4.17Å; V123-I243 HydrophobicContact CG2-CG2 3.99Å; T231-I243 CarbonylContact C-O 3.55Å; T231-I243 WeakPolarHBondContact CA-O 3.31Å; V232-I243 PolarHBondContact N-O 3.07Å; V232-I243 PolarHBondContact O-N 2.77Å; E241-I243 HydrophobicContact CG-CG1 4.25Å |
| 244 | S | 94.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 69.9 Ų | 69.9 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.7 | 178.8 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | V230 T231 | V230-S244 CarbonylContact O-C 3.53Å; V230-S244 VanDerWaalsContact O-CA 3.24Å; V230-S244 WeakPolarHBondContact O-CA 3.45Å; T231-S244 WeakPolarHBondContact OG1-CB 3.22Å |
| 245 | Q | 94.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 78.2 Ų | 78.2 | 38% | 0.379 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.6 | 176.2 | -172 | 66.3 | 48.9 | 0 | 0 | 109 | Q229 V230 | Q229-Q245 WeakPolarHBondContact CA-O 3.28Å; V230-Q245 HydrophobicContact CG1-CB 3.95Å; V230-Q245 PolarHBondContact N-O 3.46Å; V230-Q245 PolarHBondContact O-N 2.9Å |
| 246 | E | 94.1 | Very high | 91.1 | Very high | 114 Ų | 114 | 82 Ų | 82 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.1 | 172.2 | 61.6 | -174.9 | -165.2 | 0 | 0 | 111.1 | M228 | M228-E246 CarbonylContact O-C 3.56Å; M228-E246 VanDerWaalsContact O-CA 3.25Å; M228-E246 WeakPolarHBondContact O-CA 3.42Å |
| 247 | R | 93.7 | Very high | 90.7 | Very high | 87 Ų | 87 | 82.7 Ų | 82.7 | 33% | 0.328 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 138.9 | 176.6 | -156.8 | 174.6 | -161.7 | 174 | -1.2 | 111.1 | Y125 M228 | Y125-R247 HydrophobicContact CD1-CB 4.15Å; Y125-R247 HydrophobicContact CD1-CG 4.33Å; Y125-R247 HydrophobicContact CE1-CB 4.47Å; Y125-R247 PolarHBondContact O-NH1 2.87Å; M228-R247 PolarHBondContact N-O 2.92Å; M228-R247 PolarHBondContact O-N 3.03Å |
| 248 | Y | 93.2 | Very high | 90.4 | Very high | 158 Ų | 158 | 77.3 Ų | 77.3 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 134 | 168.9 | -66.4 | -81.1 | 0 | 0 | 0 | 110.4 | V225 L226 M227 | V225-Y248 HydrophobicContact CG1-CD1 4Å; L226-Y248 CarbonylContact O-C 3.58Å; L226-Y248 WeakPolarHBondContact O-CA 3.47Å; M227-Y248 HydrophobicContact CB-CD1 3.9Å; M227-Y248 HydrophobicContact CB-CE1 3.69Å; M227-Y248 HydrophobicContact CG-CD1 4.16Å; M227-Y248 HydrophobicContact CG-CE1 3.82Å; M227-Y248 HydrophobicContact SD-CE1 3.87Å; M227-Y248 HydrophobicContact SD-CE2 4.45Å; M227-Y248 PolarHBondContact SD-OH 2.89Å |
| 249 | Q | 91.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 82.1 Ų | 82.1 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 141.5 | -179.8 | -168.5 | 63.6 | 36.8 | 0 | 0 | 110.7 | V128 L226 M228 | V128-Q249 HydrophobicContact CB-CG 4.41Å; V128-Q249 HydrophobicContact CG2-CG 3.58Å; L226-Q249 PolarHBondContact N-O 2.77Å; L226-Q249 PolarHBondContact O-N 3.4Å; M228-Q249 HydrophobicContact CG-CB 4.17Å |
| 250 | Y | 91.8 | Very high | 89.1 | Confident | 138 Ų | 138 | 78.6 Ų | 78.6 | 54% | 0.541 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.6 | 171.1 | -66.8 | -88 | 0 | 0 | 0 | 109.7 | N223 I224 V225 Q260 | N223-Y250 HydrophobicContact CB-CD1 4.4Å; I224-Y250 CarbonylContact O-C 3.56Å; I224-Y250 WeakPolarHBondContact O-CA 3.29Å; V225-Y250 HydrophobicContact CG2-CD1 3.57Å; V225-Y250 HydrophobicContact CG2-CE1 3.23Å; V225-Y250 HydrophobicContact CG2-CG 4.43Å; Y250-Q260 PolarHBondContact O-NE2 3.46Å; Y250-Q260 PolarHBondContact O-OE1 3.16Å |
| 251 | V | 93 | Very high | 87.4 | Confident | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.7 | 176 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | V128 A131 L144 I146 N223 I224 L226 C253 | V128-V251 HydrophobicContact CG2-CG2 4.19Å; A131-V251 HydrophobicContact CB-CG1 3.56Å; L144-V251 HydrophobicContact CD2-CG1 4.1Å; I146-V251 HydrophobicContact CD1-CG1 4.44Å; I146-V251 HydrophobicContact CD1-CG2 4.34Å; N223-V251 CarbonylContact C-O 3.57Å; N223-V251 WeakPolarHBondContact CA-O 3.04Å; I224-V251 HydrophobicContact CG1-CB 4.48Å; I224-V251 WeakPolarHBondContact CG1-O 3.42Å; I224-V251 PolarHBondContact N-O 3.2Å; I224-V251 PolarHBondContact O-N 3.45Å; L226-V251 HydrophobicContact CD1-CB 4.04Å; L226-V251 HydrophobicContact CD1-CG2 3.93Å; V251-C253 PolarHBondContact O-N 2.81Å |
| 252 | D | 92.2 | Very high | 85.3 | Confident | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.144 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 118.4 | 174.5 | -177.5 | 2.7 | 0 | 0 | 0 | 109 | N223 G254 T258 | N223-D252 WeakPolarHBondContact OD1-CA 3.27Å; N223-D252 WeakPolarHBondContact OD1-CB 3.09Å; D252-G254 PolarHBondContact OD1-N 2.97Å; D252-T258 HydrophobicContact CB-CG2 3.63Å; D252-T258 WeakPolarHBondContact OD2-CG2 3.42Å |
| 253 | C | 92.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -97.5 | 3 | 177.5 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | V133 Y135 L144 C214 H222 I224 V251 | V133-C253 WeakPolarHBondContact CG1-O 3.48Å; Y135-C253 PolarHBondContact OH-O 3.31Å; L144-C253 HydrophobicContact CD2-CB 4.03Å; C214-C253 HydrophobicContact CB-CB 3.92Å; C214-C253 WeakPolarHBondContact CB-O 3.15Å; C214-C253 WeakPolarHBondContact CB-SG 3.36Å; C214-C253 WeakPolarHBondContact SG-CB 3.26Å; C214-C253 CovalentContact SG-SG 2.03Å; C214-C253 PolarHBondContact SG-SG 3.49Å; H222-C253 PolarHBondContact O-N 3.01Å; H222-C253 PolarHBondContact O-SG 2.98Å; I224-C253 HydrophobicContact CD1-CB 4.14Å; I224-C253 HydrophobicContact CG1-CB 4.32Å; V251-C253 PolarHBondContact O-N 2.81Å |
| 254 | G | 88.9 | Confident | 80.4 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 23% | 0.227 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -97.1 | -34.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y135 C214 D252 | Y135-G254 VanDerWaalsContact OH-C 3.25Å; Y135-G254 WeakPolarHBondContact OH-CA 3.32Å; Y135-G254 PolarHBondContact OH-O 2.83Å; C214-G254 WeakPolarHBondContact O-CA 3.47Å; D252-G254 PolarHBondContact OD1-N 2.97Å |
| 255 | R | 84.6 | Confident | 77.7 | Confident | 177 Ų | 177 | 89 Ų | 89 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -98 | 140 | -175.7 | -163.2 | 172.7 | -170.4 | 154.7 | 1.2 | 111.9 | V133 T257 T258 | V133-R255 WeakPolarHBondContact CG2-O 3.19Å; R255-T257 VanDerWaalsContact C-N 3.29Å; R255-T257 PolarHBondContact O-N 2.99Å; R255-T258 HydrophobicContact CB-CG2 3.91Å |
| 256 | N | 81.5 | Confident | 75 | Confident | 105 Ų | 105 | 94.1 Ų | 94.1 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -51.5 | -43.1 | -177.4 | -66.3 | 2.1 | 0 | 0 | 0 | 114 | Y132 V133 | Y132-N256 CarbonylContact C-O 3.52Å; Y132-N256 VanDerWaalsContact CA-O 3.32Å; Y132-N256 WeakPolarHBondContact CA-O 3.41Å; Y132-N256 WeakPolarHBondContact CD2-O 3.49Å; V133-N256 PolarHBondContact N-O 2.72Å |
| 257 | T | 83.4 | Confident | 72.4 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 128.8 | 174.4 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | A131 R255 Y259 | A131-T257 WeakPolarHBondContact O-CA 3.32Å; R255-T257 VanDerWaalsContact C-N 3.29Å; R255-T257 PolarHBondContact O-N 2.99Å; T257-Y259 HydrophobicContact CG2-CD2 4.39Å; T257-Y259 HydrophobicContact CG2-CE1 4.39Å; T257-Y259 HydrophobicContact CG2-CE2 3.79Å |
| 258 | T | 83.1 | Confident | 69.5 | Low | 19 Ų | 19 | 99.4 Ų | 99.4 | 12% | 0.117 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.4 | 168.3 | 54.5 | 0 | 0 | 0 | 0 | 110 | S130 A131 D252 R255 | S130-T258 CarbonylContact C-O 3.6Å; S130-T258 WeakPolarHBondContact CA-O 3.45Å; A131-T258 PolarHBondContact N-O 3.24Å; A131-T258 PolarHBondContact O-N 3.29Å; D252-T258 HydrophobicContact CB-CG2 3.63Å; D252-T258 WeakPolarHBondContact OD2-CG2 3.42Å; R255-T258 HydrophobicContact CB-CG2 3.91Å |
| 259 | Y | 79.4 | Confident | 66.9 | Low | 184 Ų | 184 | 97.8 Ų | 97.8 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.6 | 169.8 | -62.1 | -81.7 | 0 | 0 | 0 | 106.9 | T257 | T257-Y259 HydrophobicContact CG2-CD2 4.39Å; T257-Y259 HydrophobicContact CG2-CE1 4.39Å; T257-Y259 HydrophobicContact CG2-CE2 3.79Å |
| 260 | Q | 67.3 | Low | 64.3 | Low | 55 Ų | 55 | 103.6 Ų | 103.6 | 26% | 0.257 | 52% | 0.521 | S | S | . | . | trans | -96.2 | 108.3 | 169.5 | -70.8 | -171.4 | -1.6 | 0 | 0 | 106.5 | V128 K129 Y250 G262 | V128-Q260 WeakPolarHBondContact O-CB 3.34Å; K129-Q260 PolarHBondContact O-N 3.37Å; Y250-Q260 PolarHBondContact O-NE2 3.46Å; Y250-Q260 PolarHBondContact O-OE1 3.16Å; Q260-G262 PolarHBondContact O-N 3.04Å; Q260-G262 VanDerWaalsContact O-N 3.14Å | ||
| 261 | L | 55.8 | Low | 61.4 | Low | 162 Ų | 162 | 106 Ų | 106 | 85% | 0.848 | 54% | 0.537 | S | S | * | . | trans | -64.6 | 115.2 | 163.8 | -123.7 | 83.8 | 0 | 0 | 0 | 105.1 | Q263 | L261-Q263 VanDerWaalsContact C-N 3.26Å; L261-Q263 PolarHBondContact O-N 3.38Å | ||
| 262 | G | 47.3 | Very low | 58.6 | Low | 51 Ų | 51 | 111.2 Ų | 111.2 | 53% | 0.526 | 57% | 0.571 | S | S | . | * | trans | -58.4 | 85.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q260 S264 | Q260-G262 PolarHBondContact O-N 3.04Å; Q260-G262 VanDerWaalsContact O-N 3.14Å; G262-S264 PolarHBondContact O-N 3.43Å; G262-S264 VanDerWaalsContact O-N 3.12Å | ||
| 263 | Q | 40.6 | Very low | 55.9 | Low | 155 Ų | 155 | 119.4 Ų | 119.4 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | trans | -88.6 | 71.7 | 175.1 | -150.1 | 160.4 | -0.9 | 0 | 0 | 107.2 | L261 E265 | L261-Q263 VanDerWaalsContact C-N 3.26Å; L261-Q263 PolarHBondContact O-N 3.38Å; Q263-E265 PolarHBondContact O-N 3.08Å | ||
| 264 | S | 45.2 | Very low | 53.2 | Low | 75 Ų | 75 | 132.2 Ų | 132.2 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | 16.1 | -176.3 | -174 | 0 | 0 | 0 | 0 | 113.9 | G262 | G262-S264 PolarHBondContact O-N 3.43Å; G262-S264 VanDerWaalsContact O-N 3.12Å |
| 265 | E | 38.7 | Very low | 51.4 | Low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -3.8 | -172 | -94.6 | -177.7 | 159.2 | 0 | 0 | 116.2 | Q263 | Q263-E265 PolarHBondContact O-N 3.08Š|
| 266 | Y | 37 | Very low | 49.6 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 74% | 0.741 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -113 | 14.2 | -170.7 | -82.8 | -83.2 | 0 | 0 | 0 | 117.2 | ||
| 267 | L | 40.3 | Very low | 47.8 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -112.6 | 23.6 | 177.4 | -127.5 | 104.3 | 0 | 0 | 0 | 115.5 | ||
| 268 | N | 32 | Very low | 45.8 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -99 | 9.8 | 170.9 | -79.1 | -18.5 | 0 | 0 | 0 | 113.9 | ||||
| 269 | V | 40 | Very low | 43.4 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -102.2 | 87.2 | 176 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 270 | L | 36.4 | Very low | 41 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | 151.7 | 75.3 | 148.4 | -87 | 148.9 | 0 | 0 | 0 | 109.7 | ||||
| 271 | Q | 31.2 | Very low | 39.1 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 117.2 | 151 | -126.7 | 169.6 | -16.8 | 0 | 0 | 106.4 | Q273 | Q271-Q273 PolarHBondContact O-N 3.01Š|
| 272 | P | 33.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 154 Ų | 154 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 130.3 | 168.4 | 12.1 | -2.3 | 0 | 0 | 0 | 108.2 | Q274 | P272-Q274 PolarHBondContact O-N 2.8Š|
| 273 | Q | 34.6 | Very low | 37.1 | Very low | 200 Ų | 200 | 162.6 Ų | 162.6 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.5 | 164.2 | -66.4 | -144.9 | -36.7 | 0 | 0 | 108.5 | Q271 | Q271-Q273 PolarHBondContact O-N 3.01Š|
| 274 | Q | 35.2 | Very low | 36.8 | Very low | 269 Ų | 269 | 163.3 Ų | 163.3 | 100% | 1.257 | 83% | 0.826 | S | S | * | * | trans | -113.1 | 0 | 154.6 | -92 | -175 | -53.4 | 0 | 0 | 107.9 | P272 | P272-Q274 PolarHBondContact O-N 2.8Š|
Retrieved 274 of 274 residues in 1226.6 ms
(Link to these results)