| 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 | 40.5 | Very low | 41.6 | Very low | 216 Ų | 216 | 154.7 Ų | 154.7 | 100% | 1.064 | 75% | 0.753 | S | S | * | * | 0 | 107.4 | 0 | -150.5 | 174.8 | -163.9 | 0 | 0 | 107.8 | H3 | M1-H3 PolarHBondContact O-N 2.88Š| |||
| 2 | L | 46.8 | Very low | 41.4 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -69.8 | 109.2 | -179.4 | -75.3 | 164.7 | 0 | 0 | 0 | 109.1 | Y4 Y164 | L2-Y4 PolarHBondContact O-N 3.1Å; L2-Y164 HydrophobicContact CD1-CD1 4.43Å; L2-Y164 HydrophobicContact CD2-CD1 4.27Å | ||
| 3 | H | 40.6 | Very low | 41 | Very low | 148 Ų | 148 | 161.5 Ų | 161.5 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -75.7 | 110.3 | 175.3 | -83.9 | -91.8 | 0 | 0 | 0 | 110.3 | M1 T5 | M1-H3 PolarHBondContact O-N 2.88Å; H3-T5 PolarHBondContact O-N 2.77Å | ||
| 4 | Y | 42.8 | Very low | 41.1 | Very low | 136 Ų | 136 | 165.1 Ų | 165.1 | 53% | 0.533 | 78% | 0.781 | S | S | . | * | trans | -75.2 | 98.8 | 171.1 | 178.6 | -105.8 | 0 | 0 | 0 | 109.8 | L2 R6 V162 | L2-Y4 PolarHBondContact O-N 3.1Å; Y4-R6 HydrophobicContact CD1-CG 4.08Å; Y4-R6 HydrophobicContact CE1-CG 3.37Å; Y4-V162 HydrophobicContact CD2-CG1 4.36Å; Y4-V162 HydrophobicContact CE2-CG1 4.15Å | ||
| 5 | T | 46.3 | Very low | 40.9 | Very low | 90 Ų | 90 | 165.5 Ų | 165.5 | 55% | 0.552 | 79% | 0.789 | S | S | * | * | trans | -85.7 | 117.2 | 170.5 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | H3 G7 | H3-T5 PolarHBondContact O-N 2.77Å; T5-G7 VanDerWaalsContact C-N 3.29Å; T5-G7 PolarHBondContact O-N 3.31Å | ||
| 6 | R | 40.3 | Very low | 40.5 | Very low | 218 Ų | 218 | 167.1 Ų | 167.1 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 85.5 | 170.3 | -80.4 | -175.6 | 172.6 | 164.9 | -0.3 | 109.3 | Y4 Q8 | Y4-R6 HydrophobicContact CD1-CG 4.08Å; Y4-R6 HydrophobicContact CE1-CG 3.37Å; R6-Q8 PolarHBondContact O-N 2.92Å | ||
| 7 | G | 41 | Very low | 40 | Very low | 70 Ų | 70 | 161.2 Ų | 161.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 105.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T5 C9 | T5-G7 VanDerWaalsContact C-N 3.29Å; T5-G7 PolarHBondContact O-N 3.31Å; G7-C9 PolarHBondContact O-N 3.39Å | ||
| 8 | Q | 41.2 | Very low | 39.8 | Very low | 171 Ų | 171 | 164.6 Ų | 164.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -65.3 | 116.7 | 159.7 | -92.6 | -162.5 | 5.3 | 0 | 0 | 108.9 | R6 R10 | R6-Q8 PolarHBondContact O-N 2.92Å; Q8-R10 PolarHBondContact O-N 3.43Å; Q8-R10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | C | 36.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 161.5 Ų | 161.5 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 92.3 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | G7 | G7-C9 PolarHBondContact O-N 3.39Š| ||
| 10 | R | 39.5 | Very low | 38.9 | Very low | 227 Ų | 227 | 162.4 Ų | 162.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -91.6 | 118.1 | 163.8 | -85.5 | -171.5 | -175.8 | -171.4 | 1.4 | 110.3 | Q8 | Q8-R10 PolarHBondContact O-N 3.43Å; Q8-R10 VanDerWaalsContact O-N 3.13Å | ||
| 11 | K | 42.4 | Very low | 38.7 | Very low | 184 Ų | 184 | 162.6 Ų | 162.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 138.6 | 174.4 | -82.7 | 178 | 174.7 | 174.7 | 0 | 111.6 | ||||
| 12 | K | 39 | Very low | 38.5 | Very low | 195 Ų | 195 | 162.6 Ų | 162.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 62.7 | 123.1 | 150.7 | -71.1 | -176.1 | 174.8 | -176.6 | 0 | 118.8 | ||||
| 13 | K | 36.4 | Very low | 38.1 | Very low | 203 Ų | 203 | 166.9 Ų | 166.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | -166.5 | 131.9 | 97.1 | -94.9 | 173.3 | -174.4 | -175.8 | 0 | 110.4 | |||||
| 14 | K | 41.8 | Very low | 37.8 | Very low | 211 Ų | 211 | 166.3 Ų | 166.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 132.6 | 163.6 | -104.7 | 176 | 171.9 | -179.5 | 0 | 107.9 | ||||
| 15 | L | 37.7 | Very low | 37.4 | Very low | 172 Ų | 172 | 168.2 Ų | 168.2 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -152.9 | 142.1 | 142.1 | -120.7 | 112 | 0 | 0 | 0 | 109.4 | ||||
| 16 | Q | 35.9 | Very low | 36.9 | Very low | 190 Ų | 190 | 170.3 Ų | 170.3 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -69.7 | 149.6 | -169.6 | -75.4 | 155.9 | -56.8 | 0 | 0 | 113.7 | ||||
| 17 | G | 32 | Very low | 36.9 | Very low | 68 Ų | 68 | 168.6 Ų | 168.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 42.2 | 126 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 18 | F | 35 | Very low | 36.6 | Very low | 221 Ų | 221 | 169.3 Ų | 169.3 | 97% | 0.969 | 82% | 0.821 | S | S | * | * | -158.8 | 144.7 | 128.9 | -115.8 | -84.1 | 0 | 0 | 0 | 111 | |||||
| 19 | C | 31 | Very low | 36.7 | Very low | 106 Ų | 106 | 165.8 Ų | 165.8 | 72% | 0.716 | 82% | 0.821 | S | S | * | * | trans | -74 | 146.1 | -172.7 | -121.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 20 | F | 31.7 | Very low | 37.7 | Very low | 180 Ų | 180 | 165.5 Ų | 165.5 | 79% | 0.789 | 82% | 0.817 | S | S | * | * | trans | 49.2 | 148.6 | 130.9 | -95.7 | -94.2 | 0 | 0 | 0 | 123.3 | ||||
| 21 | F | 33.9 | Very low | 37.5 | Very low | 167 Ų | 167 | 162.5 Ų | 162.5 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 79.4 | 124.4 | 171.9 | -76.3 | -90.6 | 0 | 0 | 0 | 115.4 | ||||
| 22 | Y | 36.8 | Very low | 37.4 | Very low | 216 Ų | 216 | 160.1 Ų | 160.1 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | cis | -148.7 | 149 | 41.2 | -97 | -93.1 | 0 | 0 | 0 | 113.1 | ||||
| 23 | Y | 38.9 | Very low | 37.2 | Very low | 212 Ų | 212 | 157 Ų | 157 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -88.6 | 158.9 | 160.9 | -108.6 | -89.3 | 0 | 0 | 0 | 110.7 | ||||
| 24 | L | 34.5 | Very low | 37.2 | Very low | 136 Ų | 136 | 158.8 Ų | 158.8 | 71% | 0.712 | 82% | 0.816 | S | S | * | * | trans | 80 | 114 | 152.6 | -114.4 | 76.6 | 0 | 0 | 0 | 119.5 | ||||
| 25 | L | 34 | Very low | 37 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | -156.5 | 135.7 | 115.4 | -144.9 | 77.2 | 0 | 0 | 0 | 112.2 | |||||
| 26 | N | 35.4 | Very low | 37.1 | Very low | 135 Ų | 135 | 159.4 Ų | 159.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -75 | 172.8 | -179.3 | -99.1 | -56.7 | 0 | 0 | 0 | 114.7 | ||||
| 27 | M | 39.7 | Very low | 37.1 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | 110.3 | 139.1 | 150.1 | -64.1 | -161.5 | 136.2 | 0 | 0 | 115.3 | ||||
| 28 | A | 34.3 | Very low | 37 | Very low | 86 Ų | 86 | 162 Ų | 162 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | -171.8 | 130.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 29 | A | 43.3 | Very low | 37 | Very low | 96 Ų | 96 | 157 Ų | 157 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | 33.7 | -177.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 30 | P | 59 | Low | 37.3 | Very low | 114 Ų | 114 | 160 Ų | 160 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | -121.8 | -173.5 | -113.2 | 30.3 | -6.6 | 0 | 0 | 0 | 113.3 | |||||
| 31 | L | 34.6 | Very low | 37.4 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | 165.7 | 144 | 134.7 | -86.4 | 166.7 | 0 | 0 | 0 | 113.5 | ||||
| 32 | V | 39.5 | Very low | 37.4 | Very low | 135 Ų | 135 | 158.5 Ų | 158.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 126 | 119.1 | 139.5 | -173 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 33 | V | 35.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -94.9 | 142.2 | 174.8 | 165.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 34 | R | 37.3 | Very low | 37.5 | Very low | 240 Ų | 240 | 153.7 Ų | 153.7 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -178.2 | 112 | 146.7 | -109.7 | -177.6 | 172.2 | -164.8 | -2.2 | 109.6 | ||||
| 35 | R | 36.5 | Very low | 37.3 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | 63.4 | 99.6 | 87.7 | -94 | -174.1 | 164 | 179.8 | -4.5 | 116.3 | |||||
| 36 | E | 40.5 | Very low | 37.1 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | 26.1 | 133.4 | 132.8 | -72 | -71.8 | 160.6 | 0 | 0 | 121.7 | ||||
| 37 | L | 35.3 | Very low | 37.1 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | 162.8 | 135.8 | 108.6 | -81.6 | 172 | 0 | 0 | 0 | 113.2 | |||||
| 38 | F | 31.4 | Very low | 36.8 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 77% | 0.768 | 80% | 0.798 | S | S | * | * | trans | 49.2 | 128.4 | 144.7 | -80.5 | -103.9 | 0 | 0 | 0 | 122.5 | ||||
| 39 | S | 34.2 | Very low | 36.9 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | -173.3 | 117.9 | 109.6 | -77.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 40 | L | 37.2 | Very low | 36.5 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -88.4 | 127.3 | 164.4 | -85.8 | 161.5 | 0 | 0 | 0 | 108.5 | ||||
| 41 | V | 33.7 | Very low | 35.3 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | trans | -129.8 | 114.1 | 164.6 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | I43 | V41-I43 HydrophobicContact CG1-CG1 4.24Š| ||
| 42 | K | 34.5 | Very low | 35.9 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -78.4 | 141 | 163.3 | -74.4 | 170.8 | 172.2 | 171.5 | 0 | 108.8 | ||||
| 43 | I | 43.9 | Very low | 35.6 | Very low | 161 Ų | 161 | 152 Ų | 152 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -129.5 | 114.8 | 154.9 | -61.2 | -178.5 | 0 | 0 | 0 | 108.3 | V41 | V41-I43 HydrophobicContact CG1-CG1 4.24Š| ||
| 44 | L | 34.5 | Very low | 35.4 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -81.5 | 146.4 | 161.3 | -100.4 | 113.7 | 0 | 0 | 0 | 108.9 | ||||
| 45 | G | 29.8 | Very low | 35.2 | Very low | 78 Ų | 78 | 146.9 Ų | 146.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 179.1 | 87.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 46 | G | 29.7 | Very low | 35.1 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | -85.2 | 166.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 47 | I | 35.3 | Very low | 34.8 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | 170.9 | 120.5 | 135.4 | -87.3 | 159.4 | 0 | 0 | 0 | 109.6 | ||||
| 48 | S | 32.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | 39.3 | 154.6 | 142.4 | 73.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 49 | Q | 36 | Very low | 35.2 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | cis | 179.2 | 166.4 | -1.5 | -100.9 | -89.6 | 11.4 | 0 | 0 | 105.4 | ||||
| 50 | L | 35.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | 81.8 | 118.4 | 165.9 | -87.1 | 83.9 | 0 | 0 | 0 | 121 | ||||
| 51 | G | 33 | Very low | 35.5 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -93.2 | -139.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 52 | P | 48.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | cis | -128 | -171.2 | -30.5 | 39.2 | -22.3 | 0 | 0 | 0 | 112.6 | ||||
| 53 | R | 33.2 | Very low | 35.9 | Very low | 254 Ų | 254 | 139.6 Ų | 139.6 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | 114.7 | 132.7 | 169.3 | -64.2 | 168.4 | -173.9 | -140.3 | 2.9 | 111.7 | ||||
| 54 | G | 31.8 | Very low | 35.4 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | cis | -166.1 | 177 | 10.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 55 | L | 32.3 | Very low | 35.7 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 98% | 0.984 | 81% | 0.813 | S | S | * | * | trans | -65.5 | 147.9 | -169.7 | -66.8 | 145.4 | 0 | 0 | 0 | 114.2 | ||||
| 56 | G | 34.6 | Very low | 35.8 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -163.2 | 82.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 57 | A | 34.8 | Very low | 36 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -84.9 | 130.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 58 | C | 37.2 | Very low | 35.9 | Very low | 130 Ų | 130 | 145 Ų | 145 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -133.4 | 101.5 | 161.1 | -76 | 0 | 0 | 0 | 0 | 109 | ||||
| 59 | S | 37.1 | Very low | 36 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -68.5 | 133.6 | 167.9 | 144.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 60 | N | 38.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -128 | 106.6 | 155.7 | -94.2 | -34.8 | 0 | 0 | 0 | 110.5 | R62 | N60-R62 PolarHBondContact O-N 3.01Š| ||
| 61 | H | 39 | Very low | 35.9 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 69% | 0.69 | 82% | 0.818 | S | S | * | * | trans | -71.2 | 107.4 | 179.5 | -172.2 | -76 | 0 | 0 | 0 | 110.1 | ||||
| 62 | R | 38.7 | Very low | 35.8 | Very low | 246 Ų | 246 | 153 Ų | 153 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -109.7 | 116.4 | 160.2 | -76.1 | -168 | -172.4 | -172.8 | 4 | 109.4 | N60 C64 | N60-R62 PolarHBondContact O-N 3.01Å; R62-C64 PolarHBondContact O-N 3.44Å | ||
| 63 | K | 38.5 | Very low | 35.3 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.9 | 177.3 | -69.8 | 172.5 | 176.2 | 178 | 0 | 109.5 | ||
| 64 | C | 32.6 | Very low | 35.4 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 86% | 0.858 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88 | 116.8 | 162.9 | -175.2 | 0 | 0 | 0 | 0 | 107 | R62 | R62-C64 PolarHBondContact O-N 3.44Š|
| 65 | S | 41.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 126.1 | 173.4 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | T67 | S65-T67 PolarHBondContact O-N 3.23Š|
| 66 | Q | 32.8 | Very low | 36.6 | Very low | 190 Ų | 190 | 152.6 Ų | 152.6 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -74.7 | 109.7 | -172.8 | -159.9 | 159.8 | 6.9 | 0 | 0 | 110 | ||||
| 67 | T | 33.3 | Very low | 37.4 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 69% | 0.693 | 79% | 0.793 | S | S | * | * | trans | -120.9 | 97.1 | 160 | -28.4 | 0 | 0 | 0 | 0 | 107.9 | S65 F69 | S65-T67 PolarHBondContact O-N 3.23Å; T67-F69 HydrophobicContact CG2-CD2 4.35Å; T67-F69 HydrophobicContact CG2-CE2 4.24Å; T67-F69 PolarHBondContact O-N 2.98Å; T67-F69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | R | 33.6 | Very low | 37.7 | Very low | 213 Ų | 213 | 158.2 Ų | 158.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -57.4 | 102.3 | 169.2 | 178.2 | -177.7 | -179.1 | 176 | -0.4 | 108.6 | ||||
| 69 | F | 33.8 | Very low | 37.8 | Very low | 189 Ų | 189 | 160.5 Ų | 160.5 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -111 | 121.4 | 156.8 | -92.7 | -83.8 | 0 | 0 | 0 | 107.7 | T67 | T67-F69 HydrophobicContact CG2-CD2 4.35Å; T67-F69 HydrophobicContact CG2-CE2 4.24Å; T67-F69 PolarHBondContact O-N 2.98Å; T67-F69 VanDerWaalsContact O-N 3.14Å | ||
| 70 | E | 35.2 | Very low | 38 | Very low | 157 Ų | 157 | 164 Ų | 164 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -59.7 | 137.4 | -173.6 | -80 | 172.1 | 145.3 | 0 | 0 | 112.3 | L72 | E70-L72 PolarHBondContact O-N 3.42Å; E70-L72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | L | 33.7 | Very low | 38.7 | Very low | 158 Ų | 158 | 162.4 Ų | 162.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 93.4 | 172 | -163.5 | 148.5 | 0 | 0 | 0 | 107.3 | Q73 | L71-Q73 HydrophobicContact CD2-CG 4.38Å; L71-Q73 PolarHBondContact O-N 3.48Å | ||
| 72 | L | 31.5 | Very low | 39.1 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -82.5 | 113.3 | 170.5 | -139.6 | 125.4 | 0 | 0 | 0 | 108.5 | E70 | E70-L72 PolarHBondContact O-N 3.42Å; E70-L72 VanDerWaalsContact O-N 3.09Å | ||
| 73 | Q | 38.3 | Very low | 39.4 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -56.8 | 131.7 | -176 | -65 | 166.5 | -21.7 | 0 | 0 | 110.6 | L71 P75 | L71-Q73 HydrophobicContact CD2-CG 4.38Å; L71-Q73 PolarHBondContact O-N 3.48Å; Q73-P75 VanDerWaalsContact O-CD 3.27Å; Q73-P75 WeakPolarHBondContact O-CD 3.36Å | ||
| 74 | R | 36.3 | Very low | 39.8 | Very low | 222 Ų | 222 | 153.3 Ų | 153.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -51.7 | 121.7 | 158.2 | -103 | 179.5 | 169 | 159.5 | -4.3 | 109.1 | N76 | R74-N76 PolarHBondContact O-N 3.14Š| ||
| 75 | P | 37.4 | Very low | 40.7 | Very low | 123 Ų | 123 | 155 Ų | 155 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -83.4 | 105.5 | 149.3 | 20.8 | -5.7 | 0 | 0 | 0 | 107.5 | Q73 | Q73-P75 VanDerWaalsContact O-CD 3.27Å; Q73-P75 WeakPolarHBondContact O-CD 3.36Å | ||
| 76 | N | 50.1 | Low | 40.8 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | -60.7 | 156 | 151.2 | -73.6 | -21.3 | 0 | 0 | 0 | 108.3 | R74 | R74-N76 PolarHBondContact O-N 3.14Š| ||
| 77 | T | 52.1 | Low | 41.6 | Very low | 104 Ų | 104 | 151 Ų | 151 | 64% | 0.638 | 77% | 0.773 | S | S | * | * | trans | 87 | 79.1 | 177.8 | 83.1 | 0 | 0 | 0 | 0 | 115.8 | F79 | T77-F79 HydrophobicContact CG2-CE2 4.22Š| ||
| 78 | F | 40.6 | Very low | 42.6 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -122.8 | 93.7 | 135 | -97 | -91.5 | 0 | 0 | 0 | 107.5 | H80 | F78-H80 PolarHBondContact O-N 2.94Š| ||
| 79 | F | 39 | Very low | 43.6 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -59.1 | 105.7 | 156.6 | -67.1 | -89.3 | 0 | 0 | 0 | 105.8 | T77 T81 | T77-F79 HydrophobicContact CG2-CE2 4.22Å; F79-T81 VanDerWaalsContact C-N 3.27Å; F79-T81 PolarHBondContact O-N 3.4Å | ||
| 80 | H | 42.8 | Very low | 44.8 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 105.4 | 153.5 | -77.2 | -81.4 | 0 | 0 | 0 | 104.8 | F78 A82 | F78-H80 PolarHBondContact O-N 2.94Å; H80-A82 PolarHBondContact O-N 2.8Å | ||
| 81 | T | 52.9 | Low | 46.7 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -45.7 | 91.4 | 157.7 | -56.1 | 0 | 0 | 0 | 0 | 106.9 | F79 A83 | F79-T81 VanDerWaalsContact C-N 3.27Å; F79-T81 PolarHBondContact O-N 3.4Å; T81-A83 VanDerWaalsContact C-N 3.34Å; T81-A83 PolarHBondContact O-N 2.73Å | ||
| 82 | A | 46.4 | Very low | 48.9 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -66.3 | 108 | 162.3 | 0 | 0 | 0 | 0 | 0 | 103.5 | H80 Y84 | H80-A82 PolarHBondContact O-N 2.8Å; A82-Y84 PolarHBondContact O-N 2.6Å | ||
| 83 | A | 45 | Very low | 51.4 | Low | 80 Ų | 80 | 140.3 Ų | 140.3 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -45.8 | 115.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | T81 L85 | T81-A83 VanDerWaalsContact C-N 3.34Å; T81-A83 PolarHBondContact O-N 2.73Å; A83-L85 PolarHBondContact O-N 2.95Å | ||
| 84 | Y | 46.3 | Very low | 53.6 | Low | 230 Ų | 230 | 139.2 Ų | 139.2 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | -53.1 | 102.5 | 164.1 | -85.9 | -100.8 | 0 | 0 | 0 | 104.8 | A82 S86 | A82-Y84 PolarHBondContact O-N 2.6Å; Y84-S86 PolarHBondContact O-N 3.28Å | ||
| 85 | L | 52.1 | Low | 56 | Low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -53.5 | 113.7 | 161.7 | -70.3 | 172.7 | 0 | 0 | 0 | 103.7 | A83 S87 | A83-L85 PolarHBondContact O-N 2.95Å; L85-S87 PolarHBondContact O-N 3.47Å | ||
| 86 | S | 43.6 | Very low | 58.4 | Low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | -45.5 | 112.9 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 106.5 | Y84 T88 | Y84-S86 PolarHBondContact O-N 3.28Å; S86-T88 PolarHBondContact O-N 2.81Å | ||
| 87 | S | 48.9 | Very low | 60.4 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 70.7 | 173.4 | 58.9 | 0 | 0 | 0 | 0 | 106.9 | L85 P89 | L85-S87 PolarHBondContact O-N 3.47Å; S87-P89 WeakPolarHBondContact O-CD 3.43Å | ||
| 88 | T | 55.7 | Low | 62.2 | Low | 90 Ų | 90 | 137.8 Ų | 137.8 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | trans | -63.2 | 118.5 | 156.3 | 46.4 | 0 | 0 | 0 | 0 | 104.5 | S86 F90 | S86-T88 PolarHBondContact O-N 2.81Å; T88-F90 PolarHBondContact O-N 3.06Å; T88-F90 VanDerWaalsContact O-N 3.1Å | ||
| 89 | P | 54.7 | Low | 64.8 | Low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -54.8 | 125.3 | 170.8 | 23.3 | -30.7 | 0 | 0 | 0 | 106.8 | S87 T91 | S87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-T91 PolarHBondContact O-N 3.03Å | ||
| 90 | F | 57.9 | Low | 67.4 | Low | 202 Ų | 202 | 127.4 Ų | 127.4 | 89% | 0.886 | 72% | 0.722 | S | S | * | * | trans | -66.2 | 86.1 | 170.6 | -69.6 | -81.6 | 0 | 0 | 0 | 107 | T88 I92 | T88-F90 PolarHBondContact O-N 3.06Å; T88-F90 VanDerWaalsContact O-N 3.1Å; F90-I92 PolarHBondContact O-N 3.24Å | ||
| 91 | T | 75.8 | Confident | 70 | Confident | 103 Ų | 103 | 123 Ų | 123 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | trans | -71.1 | 116.3 | 170.1 | -55.1 | 0 | 0 | 0 | 0 | 106.3 | P89 T93 | P89-T91 PolarHBondContact O-N 3.03Å; T91-T93 HydrophobicContact CG2-CG2 4.32Å; T91-T93 PolarHBondContact O-N 3.49Å | ||
| 92 | I | 79.8 | Confident | 72.1 | Confident | 163 Ų | 163 | 117.6 Ų | 117.6 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | trans | -66.9 | 98.2 | 174.1 | -59.1 | 168.2 | 0 | 0 | 0 | 106.7 | F90 | F90-I92 PolarHBondContact O-N 3.24Š| ||
| 93 | T | 83.9 | Confident | 74.5 | Confident | 105 Ų | 105 | 119 Ų | 119 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 124.8 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | T91 T95 | T91-T93 HydrophobicContact CG2-CG2 4.32Å; T91-T93 PolarHBondContact O-N 3.49Å; T93-T95 PolarHBondContact O-N 2.75Å |
| 94 | V | 84.2 | Confident | 77 | Confident | 137 Ų | 137 | 118 Ų | 118 | 83% | 0.83 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.4 | 171 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | ||
| 95 | T | 86.8 | Confident | 79.4 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 149.1 | 174 | 14.1 | 0 | 0 | 0 | 0 | 111.1 | T93 E97 | T93-T95 PolarHBondContact O-N 2.75Å; T95-E97 VanDerWaalsContact C-N 3.28Å; T95-E97 PolarHBondContact O-N 3.47Å |
| 96 | D | 88.5 | Confident | 81.6 | Confident | 172 Ų | 172 | 100.8 Ų | 100.8 | 92% | 0.92 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -76.3 | -15.4 | 178 | -61 | -44.8 | 0 | 0 | 0 | 113.2 | ||
| 97 | E | 91 | Very high | 84.2 | Confident | 153 Ų | 153 | 96.3 Ų | 96.3 | 72% | 0.715 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -68.5 | 134.7 | 176.4 | -64.1 | -64.5 | 163.3 | 0 | 0 | 111.3 | T95 | T95-E97 VanDerWaalsContact C-N 3.28Å; T95-E97 PolarHBondContact O-N 3.47Å |
| 98 | P | 91.3 | Very high | 86.6 | Confident | 111 Ų | 111 | 92.4 Ų | 92.4 | 72% | 0.721 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 137.8 | -179.6 | 28.2 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 99 | D | 93.3 | Very high | 88.6 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 144.2 | 178.5 | -165.2 | 7.1 | 0 | 0 | 0 | 111.4 | T179 G180 C181 | D99-T179 VanDerWaalsContact OD2-CB 3.3Å; D99-T179 WeakPolarHBondContact OD2-CB 3.27Å; D99-G180 VanDerWaalsContact OD1-CA 3.23Å; D99-G180 WeakPolarHBondContact OD1-CA 3.39Å; D99-G180 PolarHBondContact OD1-N 2.82Å; D99-G180 PolarHBondContact OD2-N 3.45Å; D99-C181 PolarHBondContact OD1-N 2.9Å; D99-C181 PolarHBondContact OD2-N 3.47Å; D99-C181 PolarHBondContact OD2-SG 3.15Å |
| 100 | T | 94.7 | Very high | 90.6 | Very high | 84 Ų | 84 | 86.1 Ų | 86.1 | 52% | 0.515 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 137 | 169.3 | 52.9 | 0 | 0 | 0 | 0 | 110 | T179 G180 | T100-T179 CarbonylContact O-C 3.57Å; T100-G180 WeakPolarHBondContact O-CA 3.49Å; T100-G180 PolarHBondContact O-N 2.91Å |
| 101 | L | 96.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 76.7 Ų | 76.7 | 41% | 0.414 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.7 | 178.8 | -57.7 | 179.2 | 0 | 0 | 0 | 110 | T179 A206 M207 | L101-T179 HydrophobicContact CD2-CG2 3.94Å; L101-A206 CarbonylContact O-C 3.59Å; L101-A206 WeakPolarHBondContact O-CA 3.28Å; L101-M207 HydrophobicContact CB-CB 4.33Å; L101-M207 HydrophobicContact CB-CE 3.46Å; L101-M207 VanDerWaalsContact CB-CE 3.46Å; L101-M207 HydrophobicContact CD1-CE 4.17Å; L101-M207 HydrophobicContact CG-CE 4.44Å; L101-M207 PolarHBondContact O-N 3.36Å |
| 102 | F | 97.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 77.2 Ų | 77.2 | 9% | 0.092 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.5 | 175.8 | -61.7 | -64.7 | 0 | 0 | 0 | 110.2 | K104 V105 H177 V178 A183 K204 T205 A206 | F102-K104 VanDerWaalsContact C-N 3.33Å; F102-V105 HydrophobicContact CB-CG2 3.75Å; F102-V105 HydrophobicContact CD2-CG2 4.2Å; F102-V105 HydrophobicContact CG-CG2 3.99Å; F102-H177 WeakPolarHBondContact O-CA 3.49Å; F102-V178 WeakPolarHBondContact CA-O 3.44Å; F102-V178 WeakPolarHBondContact CB-O 3.32Å; F102-V178 PolarHBondContact N-O 3.13Å; F102-V178 PolarHBondContact O-N 2.94Å; F102-A183 HydrophobicContact CD2-CB 4.02Å; F102-A183 HydrophobicContact CE2-CB 4.14Å; F102-K204 HydrophobicContact CD1-CB 3.9Å; F102-K204 HydrophobicContact CE1-CB 3.76Å; F102-K204 HydrophobicContact CE1-CD 4.03Å; F102-K204 HydrophobicContact CE1-CG 4.41Å; F102-K204 HydrophobicContact CE2-CD 4.28Å; F102-K204 HydrophobicContact CZ-CB 4.39Å; F102-K204 HydrophobicContact CZ-CD 3.8Å; F102-T205 CarbonylContact C-O 3.48Å; F102-T205 VanDerWaalsContact CA-O 3.3Å; F102-T205 WeakPolarHBondContact CA-O 3.49Å; F102-A206 HydrophobicContact CD1-CB 4.08Å; F102-A206 HydrophobicContact CE1-CB 4Å |
| 103 | Q | 96.8 | Very high | 94.4 | Very high | 108 Ų | 108 | 73.8 Ų | 73.8 | 51% | 0.505 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | -44.1 | 171.5 | -173 | -179.4 | 18.6 | 0 | 0 | 109.9 | H177 T205 M207 | Q103-H177 PolarHBondContact O-N 2.89Å; Q103-T205 HydrophobicContact CB-CG2 4.49Å; Q103-T205 PolarHBondContact N-O 2.86Å; Q103-M207 HydrophobicContact CB-CG 3.74Å; Q103-M207 HydrophobicContact CB-SD 3.97Å; Q103-M207 HydrophobicContact CG-SD 4.47Å |
| 104 | K | 96.8 | Very high | 95 | Very high | 61 Ų | 61 | 74.7 Ų | 74.7 | 27% | 0.265 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 136.7 | -176.7 | -172.8 | 172.9 | -179.1 | 175.7 | 0 | 110.4 | F102 V106 E174 L175 L176 T205 | F102-K104 VanDerWaalsContact C-N 3.33Å; K104-V106 HydrophobicContact CD-CG2 4Å; K104-V106 VanDerWaalsContact CE-CG2 3.43Å; K104-V106 HydrophobicContact CG-CG2 3.9Å; K104-E174 WeakPolarHBondContact CE-OE1 3.35Å; K104-E174 WeakPolarHBondContact CE-OE2 3.46Å; K104-E174 IonicContact NZ-OE1 2.89Å; K104-E174 PolarHBondContact NZ-OE1 2.83Å; K104-E174 IonicContact NZ-OE2 2.69Å; K104-E174 PolarHBondContact NZ-OE2 3.05Å; K104-E174 VanDerWaalsContact NZ-OE2 3.13Å; K104-L175 CarbonylContact C-O 3.6Å; K104-L175 WeakPolarHBondContact CA-O 3.39Å; K104-L176 HydrophobicContact CB-CD2 4.42Å; K104-L176 HydrophobicContact CD-CD2 4.37Å; K104-L176 HydrophobicContact CG-CD2 4.12Å; K104-T205 WeakPolarHBondContact O-CB 3.47Å; K104-T205 PolarHBondContact O-N 3.1Å |
| 105 | V | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.7 | 167.4 | -179 | 0 | 0 | 0 | 0 | 107.6 | F102 L175 V202 T203 K204 | F102-V105 HydrophobicContact CB-CG2 3.75Å; F102-V105 HydrophobicContact CD2-CG2 4.2Å; F102-V105 HydrophobicContact CG-CG2 3.99Å; V105-L175 HydrophobicContact CB-CB 4.34Å; V105-L175 PolarHBondContact N-O 3.01Å; V105-L175 PolarHBondContact O-N 2.97Å; V105-V202 HydrophobicContact CG1-CG1 3.97Å; V105-T203 WeakPolarHBondContact CA-O 3.41Å; V105-K204 HydrophobicContact CG1-CG 4.38Å; V105-K204 HydrophobicContact CG2-CG 4.5Å |
| 106 | V | 98.1 | Very high | 96.2 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.4 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | K104 S172 E174 V202 T203 | K104-V106 HydrophobicContact CD-CG2 4Å; K104-V106 VanDerWaalsContact CE-CG2 3.43Å; K104-V106 HydrophobicContact CG-CG2 3.9Å; V106-S172 WeakPolarHBondContact CG1-OG 3.32Å; V106-E174 HydrophobicContact CG2-CG 4.36Å; V106-V202 WeakPolarHBondContact O-CA 3.34Å; V106-T203 PolarHBondContact N-O 3.4Å; V106-T203 PolarHBondContact O-N 3.26Å |
| 107 | V | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 108.5 | 174.1 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | V109 I173 L187 I190 M200 | V107-V109 HydrophobicContact CG1-CG2 4.01Å; V107-I173 PolarHBondContact N-O 2.79Å; V107-I173 PolarHBondContact O-N 2.85Å; V107-L187 HydrophobicContact CG2-CD2 4.25Å; V107-I190 HydrophobicContact CG1-CD1 4.21Å; V107-I190 HydrophobicContact CG2-CD1 4.26Å; V107-M200 HydrophobicContact CG1-CG 3.79Å; V107-M200 HydrophobicContact CG1-SD 3.53Å; V107-M200 VanDerWaalsContact CG1-SD 3.53Å |
| 108 | L | 98.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.1 | 175.7 | -179.3 | 69.3 | 0 | 0 | 0 | 109.2 | P141 Y170 R171 M200 E201 | L108-P141 HydrophobicContact CD1-CG 4.07Å; L108-Y170 HydrophobicContact CD1-CD1 4.38Å; L108-R171 WeakPolarHBondContact CA-O 3.28Å; L108-M200 WeakPolarHBondContact O-CA 3.48Å; L108-E201 HydrophobicContact CB-CB 4.29Å; L108-E201 PolarHBondContact N-O 2.94Å; L108-E201 PolarHBondContact O-N 3.21Å |
| 109 | V | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.5 | -178.8 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | V107 L117 Y120 Y170 R171 V198 A199 | V107-V109 HydrophobicContact CG1-CG2 4.01Å; V109-L117 HydrophobicContact CB-CD2 3.97Å; V109-L117 HydrophobicContact CG1-CD2 3.54Å; V109-Y120 HydrophobicContact CG1-CD1 4Å; V109-Y120 HydrophobicContact CG1-CE1 4.17Å; V109-Y120 HydrophobicContact CG2-CD1 4.14Å; V109-Y120 HydrophobicContact CG2-CE1 3.93Å; V109-Y170 CarbonylContact O-C 3.57Å; V109-Y170 WeakPolarHBondContact O-CA 3.3Å; V109-R171 HydrophobicContact CB-CB 4.49Å; V109-R171 PolarHBondContact N-O 3.41Å; V109-R171 PolarHBondContact O-N 3.48Å; V109-V198 HydrophobicContact CG1-CG1 3.13Å; V109-A199 WeakPolarHBondContact CA-O 3.38Å |
| 110 | K | 97.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.7 | -175.3 | -46.6 | -175.8 | 172.3 | 168.8 | 0 | 109.2 | T168 H169 Y170 V198 A199 E201 | K110-T168 HydrophobicContact CB-CG2 4.2Å; K110-H169 WeakPolarHBondContact CA-O 3.24Å; K110-Y170 HydrophobicContact CB-CD1 4.23Å; K110-Y170 HydrophobicContact CB-CE1 4.14Å; K110-Y170 HydrophobicContact CD-CD1 4.22Å; K110-Y170 HydrophobicContact CD-CE1 3.7Å; K110-Y170 HydrophobicContact CG-CD1 3.71Å; K110-Y170 HydrophobicContact CG-CE1 3.66Å; K110-V198 CarbonylContact O-C 3.58Å; K110-V198 WeakPolarHBondContact O-CA 3.32Å; K110-A199 HydrophobicContact CB-CB 4.39Å; K110-A199 PolarHBondContact N-O 2.91Å; K110-A199 PolarHBondContact O-N 2.89Å; K110-E201 WeakPolarHBondContact CE-OE2 3.35Å; K110-E201 IonicContact NZ-OE2 2.65Å; K110-E201 PolarHBondContact NZ-OE2 2.86Å |
| 111 | A | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 163.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L117 H169 V198 | A111-L117 HydrophobicContact CB-CD1 3.82Å; A111-L117 HydrophobicContact CB-CD2 3.83Å; A111-L117 HydrophobicContact CB-CG 3.6Å; A111-H169 PolarHBondContact N-O 3.37Å; A111-H169 PolarHBondContact O-N 2.99Å; A111-V198 HydrophobicContact CB-CB 4.42Å; A111-V198 HydrophobicContact CB-CG1 4.4Å; A111-V198 HydrophobicContact CB-CG2 3.72Å |
| 112 | H | 97.5 | Very high | 97.7 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -83.4 | -28.9 | 172.4 | -66.4 | -53.5 | 0 | 0 | 0 | 113.4 | R167 | H112-R167 WeakPolarHBondContact CA-O 3.46Å; H112-R167 PolarHBondContact ND1-O 2.84Å |
| 113 | D | 96.8 | Very high | 97.8 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | trans | -100.6 | 127.6 | 177.7 | -168.4 | -7.7 | 0 | 0 | 0 | 110.8 | A115 V116 | D113-A115 PolarHBondContact OD1-N 3.11Å; D113-V116 HydrophobicContact CB-CB 4.32Å; D113-V116 HydrophobicContact CB-CG2 3.94Å | ||
| 114 | R | 96.8 | Very high | 97.8 | Very high | 125 Ų | 125 | 48.1 Ų | 48.1 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.8 | -38.1 | 177 | 179.7 | -179.4 | 171.2 | 163.4 | 9 | 111.9 | V116 L117 D118 E140 | R114-V116 VanDerWaalsContact C-N 3.27Å; R114-V116 PolarHBondContact O-N 3.01Å; R114-L117 WeakPolarHBondContact O-CB 3.28Å; R114-L117 PolarHBondContact O-N 3.49Å; R114-L117 VanDerWaalsContact O-N 3.13Å; R114-D118 IonicContact NE-OD2 4Å; R114-D118 PolarHBondContact NE-OD2 3.04Å; R114-D118 VanDerWaalsContact O-CG 3.28Å; R114-D118 PolarHBondContact O-N 3.07Å; R114-E140 IonicContact NH2-OE2 3.28Å |
| 115 | A | 97.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 51% | 0.512 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -38.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D113 D118 S119 | D113-A115 PolarHBondContact OD1-N 3.11Å; A115-D118 PolarHBondContact O-N 3.16Å; A115-S119 PolarHBondContact O-N 3.33Å; A115-S119 PolarHBondContact O-OG 3.42Å |
| 116 | V | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.2 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | D113 R114 D118 S119 Y120 P195 V198 | D113-V116 HydrophobicContact CB-CB 4.32Å; D113-V116 HydrophobicContact CB-CG2 3.94Å; R114-V116 VanDerWaalsContact C-N 3.27Å; R114-V116 PolarHBondContact O-N 3.01Å; V116-D118 PolarHBondContact O-N 2.95Å; V116-S119 PolarHBondContact O-N 3.15Å; V116-S119 PolarHBondContact O-OG 3.19Å; V116-Y120 WeakPolarHBondContact O-CB 3.4Å; V116-Y120 PolarHBondContact O-N 3.04Å; V116-P195 HydrophobicContact CG1-CB 3.98Å; V116-P195 HydrophobicContact CG1-CG 3.65Å; V116-V198 HydrophobicContact CG1-CG2 3.72Å |
| 117 | L | 97.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.1 | -77 | 173.4 | 0 | 0 | 0 | 113 | V109 A111 R114 S119 Y120 E121 H169 R171 V198 | V109-L117 HydrophobicContact CB-CD2 3.97Å; V109-L117 HydrophobicContact CG1-CD2 3.54Å; A111-L117 HydrophobicContact CB-CD1 3.82Å; A111-L117 HydrophobicContact CB-CD2 3.83Å; A111-L117 HydrophobicContact CB-CG 3.6Å; R114-L117 WeakPolarHBondContact O-CB 3.28Å; R114-L117 PolarHBondContact O-N 3.49Å; R114-L117 VanDerWaalsContact O-N 3.13Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.17Å; L117-Y120 PolarHBondContact O-N 2.96Å; L117-E121 WeakPolarHBondContact O-CB 3.22Å; L117-E121 PolarHBondContact O-N 2.75Å; L117-H169 HydrophobicContact CD1-CB 3.42Å; L117-H169 VanDerWaalsContact CD1-CB 3.42Å; L117-H169 WeakPolarHBondContact CD1-O 3.42Å; L117-R171 HydrophobicContact CB-CG 3.75Å; L117-R171 HydrophobicContact CD1-CG 4.29Å; L117-R171 HydrophobicContact CD2-CB 4.47Å; L117-R171 HydrophobicContact CD2-CG 4.09Å; L117-R171 HydrophobicContact CG-CG 4.26Å; L117-V198 HydrophobicContact CD2-CG1 4.49Å |
| 118 | D | 97.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 49 Ų | 49 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 179.4 | -64.3 | -9.7 | 0 | 0 | 0 | 110.6 | R114 A115 V116 F122 R171 | R114-D118 IonicContact NE-OD2 4Å; R114-D118 PolarHBondContact NE-OD2 3.04Å; R114-D118 VanDerWaalsContact O-CG 3.28Å; R114-D118 PolarHBondContact O-N 3.07Å; A115-D118 PolarHBondContact O-N 3.16Å; V116-D118 PolarHBondContact O-N 2.95Å; D118-F122 PolarHBondContact O-N 3.48Å; D118-R171 IonicContact OD1-CZ 3.41Å; D118-R171 VanDerWaalsContact OD1-CZ 3.25Å; D118-R171 IonicContact OD1-NE 3.73Å; D118-R171 PolarHBondContact OD1-NE 3.09Å; D118-R171 IonicContact OD1-NH2 3.25Å; D118-R171 PolarHBondContact OD1-NH2 3.09Å |
| 119 | S | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 174.7 | 72.9 | 0 | 0 | 0 | 0 | 113 | A115 V116 L117 F122 F123 | A115-S119 PolarHBondContact O-N 3.33Å; A115-S119 PolarHBondContact O-OG 3.42Å; V116-S119 PolarHBondContact O-N 3.15Å; V116-S119 PolarHBondContact O-OG 3.19Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.17Å; S119-F122 PolarHBondContact O-N 2.87Å; S119-F123 PolarHBondContact O-N 3.37Å; S119-F123 VanDerWaalsContact O-N 3.07Å |
| 120 | Y | 98.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.1 | -34 | -179.1 | -170.3 | -105.6 | 0 | 0 | 0 | 112.1 | V109 V116 L117 F122 F123 A124 I190 L194 P195 | V109-Y120 HydrophobicContact CG1-CD1 4Å; V109-Y120 HydrophobicContact CG1-CE1 4.17Å; V109-Y120 HydrophobicContact CG2-CD1 4.14Å; V109-Y120 HydrophobicContact CG2-CE1 3.93Å; V116-Y120 WeakPolarHBondContact O-CB 3.4Å; V116-Y120 PolarHBondContact O-N 3.04Å; L117-Y120 PolarHBondContact O-N 2.96Å; Y120-F122 VanDerWaalsContact C-N 3.33Å; Y120-F123 AromaticContact CD2-CD1 3.93Å; Y120-F123 HydrophobicContact CD2-CD1 3.93Å; Y120-F123 AromaticContact CE2-CD1 3.75Å; Y120-F123 HydrophobicContact CE2-CD1 3.75Å; Y120-F123 HydrophobicContact CE2-CE1 4.04Å; Y120-F123 PolarHBondContact O-N 3.11Å; Y120-A124 WeakPolarHBondContact O-CB 3.26Å; Y120-A124 PolarHBondContact O-N 3.34Å; Y120-I190 PolarHBondContact OH-O 3.15Å; Y120-L194 HydrophobicContact CE1-CD1 3.94Å; Y120-L194 HydrophobicContact CE2-CD1 4.26Å; Y120-L194 WeakPolarHBondContact OH-CD1 3.44Å; Y120-P195 HydrophobicContact CD2-CG 4.15Å; Y120-P195 HydrophobicContact CG-CG 4.5Å |
| 121 | E | 97.9 | Very high | 97.6 | Very high | 55 Ų | 55 | 62.6 Ų | 62.6 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 169.1 | -178.4 | -169.5 | 149.6 | 0 | 0 | 110.7 | L117 F123 A124 T125 V138 R171 | L117-E121 WeakPolarHBondContact O-CB 3.22Å; L117-E121 PolarHBondContact O-N 2.75Å; E121-F123 PolarHBondContact O-N 2.86Å; E121-A124 PolarHBondContact O-N 3.4Å; E121-T125 HydrophobicContact CG-CG2 4.29Å; E121-T125 WeakPolarHBondContact O-CB 3.1Å; E121-T125 WeakPolarHBondContact O-CG2 3.18Å; E121-T125 PolarHBondContact O-N 3.36Å; E121-T125 PolarHBondContact O-OG1 3.41Å; E121-V138 HydrophobicContact CG-CG1 3.66Å; E121-V138 VanDerWaalsContact OE1-CG1 3.28Å; E121-V138 WeakPolarHBondContact OE1-CG1 3.14Å; E121-R171 VanDerWaalsContact OE2-CD 3.28Å; E121-R171 WeakPolarHBondContact OE2-CD 3.37Å; E121-R171 IonicContact OE2-NE 3.22Å; E121-R171 PolarHBondContact OE2-NE 3.04Å |
| 122 | F | 98 | Very high | 97.5 | Very high | 137 Ų | 137 | 65.5 Ų | 65.5 | 60% | 0.601 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.4 | -45.7 | 176.3 | 177.3 | -98.8 | 0 | 0 | 0 | 111.8 | D118 S119 Y120 T125 M126 | D118-F122 PolarHBondContact O-N 3.48Å; S119-F122 PolarHBondContact O-N 2.87Å; Y120-F122 VanDerWaalsContact C-N 3.33Å; F122-T125 PolarHBondContact O-OG1 3.02Å; F122-M126 HydrophobicContact CE1-CE 4.14Å; F122-M126 HydrophobicContact CE1-SD 4.07Å; F122-M126 HydrophobicContact CZ-SD 4.14Å; F122-M126 VanDerWaalsContact O-CB 3.24Å; F122-M126 WeakPolarHBondContact O-CB 3.45Å; F122-M126 PolarHBondContact O-N 3.47Å |
| 123 | F | 98.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 177.1 | 167.6 | -103.4 | 0 | 0 | 0 | 112.7 | S119 Y120 E121 M126 A127 Y189 I190 N193 | S119-F123 PolarHBondContact O-N 3.37Å; S119-F123 VanDerWaalsContact O-N 3.07Å; Y120-F123 AromaticContact CD2-CD1 3.93Å; Y120-F123 HydrophobicContact CD2-CD1 3.93Å; Y120-F123 AromaticContact CE2-CD1 3.75Å; Y120-F123 HydrophobicContact CE2-CD1 3.75Å; Y120-F123 HydrophobicContact CE2-CE1 4.04Å; Y120-F123 PolarHBondContact O-N 3.11Å; E121-F123 PolarHBondContact O-N 2.86Å; F123-M126 PolarHBondContact O-N 3.43Å; F123-A127 PolarHBondContact O-N 2.93Å; F123-Y189 HydrophobicContact CE1-CE1 4.39Å; F123-Y189 AromaticContact CE2-CE1 3.74Å; F123-Y189 HydrophobicContact CE2-CE1 3.74Å; F123-Y189 AromaticContact CE2-CZ 3.95Å; F123-Y189 HydrophobicContact CZ-CD1 4.03Å; F123-Y189 AromaticContact CZ-CE1 3.41Å; F123-Y189 HydrophobicContact CZ-CE1 3.41Å; F123-Y189 VanDerWaalsContact CZ-CE1 3.41Å; F123-Y189 AromaticContact CZ-CZ 3.83Å; F123-I190 HydrophobicContact CE1-CG2 4.1Å; F123-N193 HydrophobicContact CE1-CB 3.78Å; F123-N193 HydrophobicContact CZ-CB 3.62Å |
| 124 | A | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -41.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y120 E121 A127 A128 I173 Y186 I190 | Y120-A124 WeakPolarHBondContact O-CB 3.26Å; Y120-A124 PolarHBondContact O-N 3.34Å; E121-A124 PolarHBondContact O-N 3.4Å; A124-A127 PolarHBondContact O-N 2.87Å; A124-A128 WeakPolarHBondContact O-CB 3.39Å; A124-A128 PolarHBondContact O-N 2.95Å; A124-I173 HydrophobicContact CB-CD1 3.61Å; A124-Y186 PolarHBondContact O-OH 3.41Å; A124-I190 HydrophobicContact CB-CG2 4.4Å |
| 125 | T | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 176.6 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | E121 F122 K129 M135 V138 | E121-T125 HydrophobicContact CG-CG2 4.29Å; E121-T125 WeakPolarHBondContact O-CB 3.1Å; E121-T125 WeakPolarHBondContact O-CG2 3.18Å; E121-T125 PolarHBondContact O-N 3.36Å; E121-T125 PolarHBondContact O-OG1 3.41Å; F122-T125 PolarHBondContact O-OG1 3.02Å; T125-K129 VanDerWaalsContact O-CG 3.28Å; T125-K129 WeakPolarHBondContact O-CG 3.44Å; T125-K129 PolarHBondContact O-N 2.9Å; T125-K129 VanDerWaalsContact O-N 3.16Å; T125-M135 HydrophobicContact CG2-CE 3.64Å; T125-M135 HydrophobicContact CG2-SD 4.36Å; T125-V138 HydrophobicContact CG2-CG2 3.94Å |
| 126 | M | 97.9 | Very high | 97.2 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 174.5 | -176.1 | 172 | 61.9 | 0 | 0 | 111 | F122 F123 A128 K129 E130 | F122-M126 HydrophobicContact CE1-CE 4.14Å; F122-M126 HydrophobicContact CE1-SD 4.07Å; F122-M126 HydrophobicContact CZ-SD 4.14Å; F122-M126 VanDerWaalsContact O-CB 3.24Å; F122-M126 WeakPolarHBondContact O-CB 3.45Å; F122-M126 PolarHBondContact O-N 3.47Å; F123-M126 PolarHBondContact O-N 3.43Å; M126-A128 VanDerWaalsContact C-N 3.31Å; M126-A128 PolarHBondContact O-N 3.39Å; M126-K129 WeakPolarHBondContact O-CB 3.29Å; M126-K129 PolarHBondContact O-N 3.47Å; M126-K129 VanDerWaalsContact O-N 3.11Å; M126-E130 WeakPolarHBondContact O-CG 3.07Å; M126-E130 PolarHBondContact O-N 3.31Å |
| 127 | A | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F123 A124 K129 E130 L131 Y186 Y189 | F123-A127 PolarHBondContact O-N 2.93Å; A124-A127 PolarHBondContact O-N 2.87Å; A127-K129 VanDerWaalsContact C-N 3.34Å; A127-K129 PolarHBondContact O-N 2.76Å; A127-E130 PolarHBondContact O-N 3.4Å; A127-L131 WeakPolarHBondContact O-CG 3.26Å; A127-L131 PolarHBondContact O-N 3.26Å; A127-L131 VanDerWaalsContact O-N 3.14Å; A127-Y186 HydrophobicContact CB-CE2 4.17Å; A127-Y189 HydrophobicContact CB-CD1 4.03Å; A127-Y189 HydrophobicContact CB-CE1 3.86Å |
| 128 | A | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A124 M126 L131 G132 I133 M135 L175 Y186 | A124-A128 WeakPolarHBondContact O-CB 3.39Å; A124-A128 PolarHBondContact O-N 2.95Å; M126-A128 VanDerWaalsContact C-N 3.31Å; M126-A128 PolarHBondContact O-N 3.39Å; A128-L131 PolarHBondContact O-N 3.07Å; A128-G132 PolarHBondContact O-N 2.87Å; A128-I133 HydrophobicContact CB-CB 4.5Å; A128-I133 PolarHBondContact O-N 2.99Å; A128-M135 HydrophobicContact CB-CE 4.4Å; A128-M135 HydrophobicContact CB-CG 4.1Å; A128-M135 HydrophobicContact CB-SD 3.85Å; A128-L175 HydrophobicContact CB-CD2 4.07Å; A128-Y186 HydrophobicContact CB-CE2 3.9Å |
| 129 | K | 96.9 | Very high | 97 | Very high | 142 Ų | 142 | 64.1 Ų | 64.1 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.3 | -43.6 | 176.2 | -72.7 | 169.9 | -176.7 | 176 | 0 | 112.2 | T125 M126 A127 L131 G132 M135 | T125-K129 VanDerWaalsContact O-CG 3.28Å; T125-K129 WeakPolarHBondContact O-CG 3.44Å; T125-K129 PolarHBondContact O-N 2.9Å; T125-K129 VanDerWaalsContact O-N 3.16Å; M126-K129 WeakPolarHBondContact O-CB 3.29Å; M126-K129 PolarHBondContact O-N 3.47Å; M126-K129 VanDerWaalsContact O-N 3.11Å; A127-K129 VanDerWaalsContact C-N 3.34Å; A127-K129 PolarHBondContact O-N 2.76Å; K129-L131 VanDerWaalsContact C-N 3.27Å; K129-L131 PolarHBondContact O-N 2.93Å; K129-G132 PolarHBondContact O-N 3.46Å; K129-M135 HydrophobicContact CG-SD 4.35Å |
| 130 | E | 97.5 | Very high | 96.9 | Very high | 157 Ų | 157 | 64.2 Ų | 64.2 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.8 | -34.1 | 178.3 | -64.4 | -53.4 | 141.5 | 0 | 0 | 112.2 | M126 A127 G132 | M126-E130 WeakPolarHBondContact O-CG 3.07Å; M126-E130 PolarHBondContact O-N 3.31Å; A127-E130 PolarHBondContact O-N 3.4Å; E130-G132 PolarHBondContact O-N 3.29Å |
| 131 | L | 95.9 | Very high | 96.9 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5 | 173.3 | -66.8 | 173.9 | 0 | 0 | 0 | 113.6 | A127 A128 K129 I133 Y186 | A127-L131 WeakPolarHBondContact O-CG 3.26Å; A127-L131 PolarHBondContact O-N 3.26Å; A127-L131 VanDerWaalsContact O-N 3.14Å; A128-L131 PolarHBondContact O-N 3.07Å; K129-L131 VanDerWaalsContact C-N 3.27Å; K129-L131 PolarHBondContact O-N 2.93Å; L131-I133 VanDerWaalsContact C-N 3.3Å; L131-I133 HydrophobicContact CB-CD1 4.02Å; L131-I133 HydrophobicContact CB-CG1 3.94Å; L131-I133 HydrophobicContact CD1-CD1 4.05Å; L131-I133 PolarHBondContact O-N 3.43Å; L131-Y186 HydrophobicContact CD1-CD2 3.79Å; L131-Y186 HydrophobicContact CD1-CG 4.42Å |
| 132 | G | 95.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 68% | 0.68 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 23.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | A128 K129 E130 | A128-G132 PolarHBondContact O-N 2.87Å; K129-G132 PolarHBondContact O-N 3.46Å; E130-G132 PolarHBondContact O-N 3.29Å |
| 133 | I | 96.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | trans | -76.2 | 134.7 | 179.4 | -57.7 | 171.9 | 0 | 0 | 0 | 109.5 | A128 L131 M135 L175 V178 T182 Y186 | A128-I133 HydrophobicContact CB-CB 4.5Å; A128-I133 PolarHBondContact O-N 2.99Å; L131-I133 VanDerWaalsContact C-N 3.3Å; L131-I133 HydrophobicContact CB-CD1 4.02Å; L131-I133 HydrophobicContact CB-CG1 3.94Å; L131-I133 HydrophobicContact CD1-CD1 4.05Å; L131-I133 PolarHBondContact O-N 3.43Å; I133-M135 PolarHBondContact O-N 2.82Å; I133-M135 VanDerWaalsContact O-N 3.15Å; I133-L175 HydrophobicContact CG2-CB 4.17Å; I133-L175 HydrophobicContact CG2-CD1 4.49Å; I133-L175 HydrophobicContact CG2-CD2 4.02Å; I133-L175 HydrophobicContact CG2-CG 4.46Å; I133-V178 HydrophobicContact CG2-CG2 3.78Å; I133-T182 HydrophobicContact CD1-CG2 3.99Å; I133-T182 HydrophobicContact CG1-CG2 4.06Å; I133-Y186 HydrophobicContact CD1-CD2 4.06Å; I133-Y186 HydrophobicContact CD1-CG 4.01Å | ||
| 134 | T | 95.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 113.4 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 110 | L176 | T134-L176 HydrophobicContact CG2-CB 4.29Å; T134-L176 PolarHBondContact O-N 3.21Å |
| 135 | M | 95.8 | Very high | 96.8 | Very high | 48 Ų | 48 | 70.7 Ų | 70.7 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.2 | 178.2 | -61.7 | -160.8 | 66.8 | 0 | 0 | 111.4 | T125 A128 K129 I133 V138 I173 L175 | T125-M135 HydrophobicContact CG2-CE 3.64Å; T125-M135 HydrophobicContact CG2-SD 4.36Å; A128-M135 HydrophobicContact CB-CE 4.4Å; A128-M135 HydrophobicContact CB-CG 4.1Å; A128-M135 HydrophobicContact CB-SD 3.85Å; K129-M135 HydrophobicContact CG-SD 4.35Å; I133-M135 PolarHBondContact O-N 2.82Å; I133-M135 VanDerWaalsContact O-N 3.15Å; M135-V138 HydrophobicContact CE-CG2 3.95Å; M135-I173 HydrophobicContact CE-CG2 3.74Å; M135-L175 HydrophobicContact CG-CD2 4.39Å |
| 136 | G | 94.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 74.3 Ų | 74.3 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -131.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | E174 | G136-E174 PolarHBondContact N-O 3Å |
| 137 | K | 95 | Very high | 96.7 | Very high | 152 Ų | 152 | 77.7 Ų | 77.7 | 66% | 0.661 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.2 | 179.2 | -63 | 175.8 | -176.6 | 177.2 | 0 | 111 | F139 E174 | K137-F139 HydrophobicContact CB-CD1 4.2Å; K137-E174 WeakPolarHBondContact O-CB 3.42Å; K137-E174 WeakPolarHBondContact O-CG 3.23Å; K137-E174 PolarHBondContact O-N 2.83Å; K137-E174 VanDerWaalsContact O-N 3.09Å |
| 138 | V | 97.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 82.2 Ų | 82.2 | 30% | 0.303 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.8 | 164.2 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | E121 T125 M135 S172 I173 | E121-V138 HydrophobicContact CG-CG1 3.66Å; E121-V138 VanDerWaalsContact OE1-CG1 3.28Å; E121-V138 WeakPolarHBondContact OE1-CG1 3.14Å; T125-V138 HydrophobicContact CG2-CG2 3.94Å; M135-V138 HydrophobicContact CE-CG2 3.95Å; V138-S172 WeakPolarHBondContact CA-O 3.38Å; V138-I173 HydrophobicContact CG1-CG1 4.2Å; V138-I173 HydrophobicContact CG2-CG2 4.26Å |
| 139 | F | 96.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 85.1 Ų | 85.1 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.4 | -176.1 | 67.9 | -86.2 | 0 | 0 | 0 | 113 | K137 P141 S172 E174 | K137-F139 HydrophobicContact CB-CD1 4.2Å; F139-P141 HydrophobicContact CD2-CG 4.18Å; F139-P141 HydrophobicContact CE2-CG 3.85Å; F139-P141 VanDerWaalsContact O-CD 3.27Å; F139-P141 WeakPolarHBondContact O-CD 3.34Å; F139-S172 WeakPolarHBondContact CE1-OG 3.28Å; F139-S172 PolarHBondContact N-O 2.81Å; F139-S172 PolarHBondContact O-N 2.8Å; F139-E174 HydrophobicContact CE1-CG 4.46Å |
| 140 | E | 97.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 83.2 Ų | 83.2 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | trans | -95.5 | 106.3 | 172.8 | -158.8 | 163.2 | 166.9 | 0 | 0 | 109.5 | R114 H169 Y170 R171 | R114-E140 IonicContact NH2-OE2 3.28Å; E140-H169 IonicContact OE1-ND1 3.96Å; E140-Y170 WeakPolarHBondContact CG-O 3.3Å; E140-R171 IonicContact OE1-NH1 2.69Å; E140-R171 IonicContact OE1-NH2 3.25Å; E140-R171 IonicContact OE2-CZ 3.48Å; E140-R171 VanDerWaalsContact OE2-CZ 3.25Å; E140-R171 IonicContact OE2-NH1 2.94Å; E140-R171 PolarHBondContact OE2-NH1 3.4Å; E140-R171 IonicContact OE2-NH2 3.91Å; E140-R171 PolarHBondContact OE2-NH2 3.3Å | ||
| 141 | P | 97.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 79.4 Ų | 79.4 | 16% | 0.156 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 153.9 | 162.8 | -20.7 | 31.4 | 0 | 0 | 0 | 110.9 | L108 F139 K143 Y170 | L108-P141 HydrophobicContact CD1-CG 4.07Å; F139-P141 HydrophobicContact CD2-CG 4.18Å; F139-P141 HydrophobicContact CE2-CG 3.85Å; F139-P141 VanDerWaalsContact O-CD 3.27Å; F139-P141 WeakPolarHBondContact O-CD 3.34Å; P141-K143 PolarHBondContact O-N 2.86Å; P141-Y170 HydrophobicContact CB-CG 4.42Å |
| 142 | P | 97.4 | Very high | 96.6 | Very high | 122 Ų | 122 | 82.3 Ų | 82.3 | 79% | 0.792 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 129.2 | 174.9 | -24.6 | 34 | 0 | 0 | 0 | 111.5 | Y170 | P142-Y170 WeakPolarHBondContact O-CD2 3.49Š|
| 143 | K | 97.1 | Very high | 96.6 | Very high | 111 Ų | 111 | 80.7 Ų | 80.7 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 148.5 | 175.8 | 66 | -180 | 175 | 176.6 | 0 | 111.5 | P141 I145 T168 | P141-K143 PolarHBondContact O-N 2.86Å; K143-I145 HydrophobicContact CD-CD1 4.4Å; K143-I145 HydrophobicContact CG-CG1 4.5Å; K143-T168 WeakPolarHBondContact CA-O 3.45Å; K143-T168 WeakPolarHBondContact CB-O 3.5Å |
| 144 | D | 97.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 87.2 Ų | 87.2 | 39% | 0.39 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 140.5 | 174.2 | -163.5 | 3.7 | 0 | 0 | 0 | 110.7 | T168 Y170 | D144-T168 PolarHBondContact N-O 2.79Å; D144-T168 PolarHBondContact O-N 2.89Å; D144-Y170 HydrophobicContact CB-CE2 3.94Å |
| 145 | I | 97.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 90.2 Ų | 90.2 | 26% | 0.262 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 97.5 | -178.3 | -55.5 | 179.9 | 0 | 0 | 0 | 109 | K143 R147 E165 M166 | K143-I145 HydrophobicContact CD-CD1 4.4Å; K143-I145 HydrophobicContact CG-CG1 4.5Å; I145-R147 HydrophobicContact CG2-CG 4.28Å; I145-E165 HydrophobicContact CG2-CG 3.37Å; I145-E165 WeakPolarHBondContact CG2-OE1 3.39Å; I145-M166 WeakPolarHBondContact CA-O 3.35Å |
| 146 | E | 97.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 93.6 Ų | 93.6 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129.8 | 176.2 | -61.8 | -178.5 | 174.2 | 0 | 0 | 110.1 | E165 M166 | E146-E165 CarbonylContact O-C 3.58Å; E146-E165 VanDerWaalsContact O-CA 3.32Å; E146-E165 WeakPolarHBondContact O-CA 3.17Å; E146-M166 HydrophobicContact CB-CB 4.33Å; E146-M166 PolarHBondContact N-O 2.89Å; E146-M166 PolarHBondContact O-N 2.83Å |
| 147 | R | 97.4 | Very high | 96.1 | Very high | 153 Ų | 153 | 98.7 Ų | 98.7 | 58% | 0.577 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.1 | 179.9 | -64.9 | -172.7 | 179.6 | 109.1 | 2.6 | 111.4 | I145 Y164 E165 | I145-R147 HydrophobicContact CG2-CG 4.28Å; R147-Y164 WeakPolarHBondContact CA-O 3.4Å; R147-E165 HydrophobicContact CG-CB 4.44Å; R147-E165 HydrophobicContact CG-CG 4.15Å; R147-E165 IonicContact CZ-OE2 3.47Å; R147-E165 IonicContact NE-OE2 2.86Å; R147-E165 PolarHBondContact NE-OE2 3.48Å; R147-E165 IonicContact NH2-OE2 3.2Å; R147-E165 PolarHBondContact NH2-OE2 2.93Å |
| 148 | L | 96.4 | Very high | 96.2 | Very high | 104 Ų | 104 | 97.5 Ų | 97.5 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.8 | 179.3 | -61.8 | 174.6 | 0 | 0 | 0 | 109.6 | Q163 Y164 | L148-Q163 CarbonylContact O-C 3.55Å; L148-Q163 WeakPolarHBondContact O-CA 3.44Å; L148-Y164 PolarHBondContact N-O 3.26Å; L148-Y164 PolarHBondContact O-N 3.4Å |
| 149 | T | 97.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 104.7 Ų | 104.7 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.6 | -179.1 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | R161 V162 Q163 | T149-R161 HydrophobicContact CG2-CB 3.66Å; T149-R161 HydrophobicContact CG2-CG 4.26Å; T149-V162 CarbonylContact C-O 3.58Å; T149-V162 WeakPolarHBondContact CA-O 3.4Å; T149-Q163 HydrophobicContact CG2-CG 4.12Å |
| 150 | L | 96.6 | Very high | 96.1 | Very high | 102 Ų | 102 | 106.2 Ų | 106.2 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 159.4 | 179.1 | -58.9 | 179.6 | 0 | 0 | 0 | 111.5 | R161 V162 Y164 | L150-R161 CarbonylContact O-C 3.59Å; L150-R161 VanDerWaalsContact O-CA 3.28Å; L150-R161 WeakPolarHBondContact O-CA 3.49Å; L150-R161 WeakPolarHBondContact O-CB 3.48Å; L150-V162 PolarHBondContact N-O 2.99Å; L150-V162 PolarHBondContact O-N 3.05Å; L150-Y164 HydrophobicContact CB-CE2 4.18Å; L150-Y164 HydrophobicContact CD1-CD2 4.17Å; L150-Y164 HydrophobicContact CD1-CE2 3.89Å; L150-Y164 HydrophobicContact CG-CD2 4.28Å; L150-Y164 HydrophobicContact CG-CE2 4.21Å |
| 151 | L | 97.5 | Very high | 96.1 | Very high | 77 Ų | 77 | 109 Ų | 109 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 138.9 | 169.3 | -65.4 | -178 | 0 | 0 | 0 | 109.6 | K158 R161 | L151-K158 HydrophobicContact CD2-CD 3.73Å; L151-R161 HydrophobicContact CD2-CG 4.17Å |
| 152 | K | 96.4 | Very high | 96.1 | Very high | 150 Ų | 150 | 108.7 Ų | 108.7 | 65% | 0.652 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -75.5 | -36.1 | 174.6 | -168.3 | 176.4 | 176.3 | -177.9 | 0 | 111.8 | H160 V162 | K152-H160 PolarHBondContact N-O 3.47Å; K152-V162 HydrophobicContact CB-CG2 3.87Å; K152-V162 HydrophobicContact CD-CG2 4.23Å; K152-V162 HydrophobicContact CG-CG2 3.9Å |
| 153 | S | 95.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 109.1 Ų | 109.1 | 22% | 0.217 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -92.5 | 151.6 | -179.8 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | H155 Y157 | S153-H155 PolarHBondContact OG-O 3.48Å; S153-Y157 WeakPolarHBondContact OG-CB 3.49Å; S153-Y157 PolarHBondContact OG-N 3.35Å |
| 154 | V | 96.2 | Very high | 96.2 | Very high | 155 Ų | 155 | 108 Ų | 108 | 94% | 0.939 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -65.5 | -43.4 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 155 | H | 92.9 | Very high | 96.1 | Very high | 144 Ų | 144 | 106.6 Ų | 106.6 | 67% | 0.667 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -131.2 | 158.6 | -177 | -168.1 | 64.6 | 0 | 0 | 0 | 112.4 | S153 Y157 | S153-H155 PolarHBondContact OG-O 3.48Å; H155-Y157 VanDerWaalsContact C-N 3.3Å; H155-Y157 PolarHBondContact O-N 3.5Å |
| 156 | I | 88.7 | Confident | 96.1 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 61% | 0.61 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 57.4 | -37.4 | 172.4 | 56 | 166.3 | 0 | 0 | 0 | 120.4 | K158 | I156-K158 PolarHBondContact O-N 3.33Š|
| 157 | Y | 94.8 | Very high | 96.1 | Very high | 137 Ų | 137 | 109.1 Ų | 109.1 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | trans | -87.8 | 78.2 | -166 | -58 | -71.4 | 0 | 0 | 0 | 114.9 | S153 H155 K159 H160 | S153-Y157 WeakPolarHBondContact OG-CB 3.49Å; S153-Y157 PolarHBondContact OG-N 3.35Å; H155-Y157 VanDerWaalsContact C-N 3.3Å; H155-Y157 PolarHBondContact O-N 3.5Å; Y157-K159 VanDerWaalsContact C-N 3.34Å; Y157-K159 PolarHBondContact O-N 2.93Å; Y157-H160 PolarHBondContact O-N 3.32Å | ||
| 158 | K | 95.5 | Very high | 96.2 | Very high | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.7 | -177.8 | -169.7 | 55.7 | 153.1 | -175 | 0 | 115.9 | L151 I156 R161 | L151-K158 HydrophobicContact CD2-CD 3.73Å; I156-K158 PolarHBondContact O-N 3.33Å; K158-R161 PolarHBondContact O-NE 2.73Å; K158-R161 VanDerWaalsContact O-NE 3.1Å |
| 159 | K | 96 | Very high | 96.2 | Very high | 202 Ų | 202 | 99 Ų | 99 | 88% | 0.878 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -26.6 | -178.6 | -66.5 | -178.6 | -177.9 | 174.1 | 0 | 112.8 | Y157 R161 | Y157-K159 VanDerWaalsContact C-N 3.34Å; Y157-K159 PolarHBondContact O-N 2.93Å; K159-R161 PolarHBondContact O-N 3.35Å |
| 160 | H | 96.6 | Very high | 96.3 | Very high | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | trans | -92.9 | 101.1 | -178.3 | -61.6 | -88.1 | 0 | 0 | 0 | 109.6 | K152 Y157 | K152-H160 PolarHBondContact N-O 3.47Å; Y157-H160 PolarHBondContact O-N 3.32Å | ||
| 161 | R | 96.6 | Very high | 96.4 | Very high | 135 Ų | 135 | 93.9 Ų | 93.9 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.5 | -176.3 | -58.3 | -168.3 | -178.3 | -164.2 | 9 | 111.8 | T149 L150 L151 K158 K159 | T149-R161 HydrophobicContact CG2-CB 3.66Å; T149-R161 HydrophobicContact CG2-CG 4.26Å; L150-R161 CarbonylContact O-C 3.59Å; L150-R161 VanDerWaalsContact O-CA 3.28Å; L150-R161 WeakPolarHBondContact O-CA 3.49Å; L150-R161 WeakPolarHBondContact O-CB 3.48Å; L151-R161 HydrophobicContact CD2-CG 4.17Å; K158-R161 PolarHBondContact O-NE 2.73Å; K158-R161 VanDerWaalsContact O-NE 3.1Å; K159-R161 PolarHBondContact O-N 3.35Å |
| 162 | V | 97.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 90.5 Ų | 90.5 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.5 | 171.1 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | Y4 T149 L150 K152 Y164 | Y4-V162 HydrophobicContact CD2-CG1 4.36Å; Y4-V162 HydrophobicContact CE2-CG1 4.15Å; T149-V162 CarbonylContact C-O 3.58Å; T149-V162 WeakPolarHBondContact CA-O 3.4Å; L150-V162 PolarHBondContact N-O 2.99Å; L150-V162 PolarHBondContact O-N 3.05Å; K152-V162 HydrophobicContact CB-CG2 3.87Å; K152-V162 HydrophobicContact CD-CG2 4.23Å; K152-V162 HydrophobicContact CG-CG2 3.9Å; V162-Y164 HydrophobicContact CB-CE2 4.01Å; V162-Y164 HydrophobicContact CG1-CD2 4.24Å; V162-Y164 HydrophobicContact CG1-CE1 4.17Å; V162-Y164 HydrophobicContact CG1-CE2 3.7Å |
| 163 | Q | 97.8 | Very high | 96.5 | Very high | 131 Ų | 131 | 83.4 Ų | 83.4 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.1 | 171.6 | -60.4 | -174.9 | 2.8 | 0 | 0 | 108.3 | L148 T149 | L148-Q163 CarbonylContact O-C 3.55Å; L148-Q163 WeakPolarHBondContact O-CA 3.44Å; T149-Q163 HydrophobicContact CG2-CG 4.12Å |
| 164 | Y | 97.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 83.1 Ų | 83.1 | 34% | 0.341 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.2 | 171.2 | -64.4 | -83.1 | 0 | 0 | 0 | 108.3 | L2 R147 L148 L150 V162 | L2-Y164 HydrophobicContact CD1-CD1 4.43Å; L2-Y164 HydrophobicContact CD2-CD1 4.27Å; R147-Y164 WeakPolarHBondContact CA-O 3.4Å; L148-Y164 PolarHBondContact N-O 3.26Å; L148-Y164 PolarHBondContact O-N 3.4Å; L150-Y164 HydrophobicContact CB-CE2 4.18Å; L150-Y164 HydrophobicContact CD1-CD2 4.17Å; L150-Y164 HydrophobicContact CD1-CE2 3.89Å; L150-Y164 HydrophobicContact CG-CD2 4.28Å; L150-Y164 HydrophobicContact CG-CE2 4.21Å; V162-Y164 HydrophobicContact CB-CE2 4.01Å; V162-Y164 HydrophobicContact CG1-CD2 4.24Å; V162-Y164 HydrophobicContact CG1-CE1 4.17Å; V162-Y164 HydrophobicContact CG1-CE2 3.7Å |
| 165 | E | 97 | Very high | 96.7 | Very high | 43 Ų | 43 | 75.9 Ų | 75.9 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.5 | 178.4 | -174 | 171 | 122.7 | 0 | 0 | 108.9 | I145 E146 R147 R167 | I145-E165 HydrophobicContact CG2-CG 3.37Å; I145-E165 WeakPolarHBondContact CG2-OE1 3.39Å; E146-E165 CarbonylContact O-C 3.58Å; E146-E165 VanDerWaalsContact O-CA 3.32Å; E146-E165 WeakPolarHBondContact O-CA 3.17Å; R147-E165 HydrophobicContact CG-CB 4.44Å; R147-E165 HydrophobicContact CG-CG 4.15Å; R147-E165 IonicContact CZ-OE2 3.47Å; R147-E165 IonicContact NE-OE2 2.86Å; R147-E165 PolarHBondContact NE-OE2 3.48Å; R147-E165 IonicContact NH2-OE2 3.2Å; R147-E165 PolarHBondContact NH2-OE2 2.93Å; E165-R167 HydrophobicContact CG-CG 4.16Å; E165-R167 IonicContact OE1-CZ 3.21Å; E165-R167 IonicContact OE1-NE 3.13Å; E165-R167 PolarHBondContact OE1-NE 2.9Å; E165-R167 IonicContact OE1-NH2 2.72Å; E165-R167 PolarHBondContact OE1-NH2 2.86Å |
| 166 | M | 96.9 | Very high | 96.9 | Very high | 76 Ų | 76 | 71.3 Ų | 71.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.5 | 168.6 | -73.1 | 172.4 | 39.2 | 0 | 0 | 107.8 | I145 E146 | I145-M166 WeakPolarHBondContact CA-O 3.35Å; E146-M166 HydrophobicContact CB-CB 4.33Å; E146-M166 PolarHBondContact N-O 2.89Å; E146-M166 PolarHBondContact O-N 2.83Å |
| 167 | R | 97.6 | Very high | 97.2 | Very high | 122 Ų | 122 | 72.1 Ų | 72.1 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.9 | 179.1 | -63.8 | 177.8 | 176.5 | 166 | 4.7 | 108.6 | H112 E165 | H112-R167 WeakPolarHBondContact CA-O 3.46Å; H112-R167 PolarHBondContact ND1-O 2.84Å; E165-R167 HydrophobicContact CG-CG 4.16Å; E165-R167 IonicContact OE1-CZ 3.21Å; E165-R167 IonicContact OE1-NE 3.13Å; E165-R167 PolarHBondContact OE1-NE 2.9Å; E165-R167 IonicContact OE1-NH2 2.72Å; E165-R167 PolarHBondContact OE1-NH2 2.86Å |
| 168 | T | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.3 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 108.6 | K110 K143 D144 Y170 | K110-T168 HydrophobicContact CB-CG2 4.2Å; K143-T168 WeakPolarHBondContact CA-O 3.45Å; K143-T168 WeakPolarHBondContact CB-O 3.5Å; D144-T168 PolarHBondContact N-O 2.79Å; D144-T168 PolarHBondContact O-N 2.89Å; T168-Y170 HydrophobicContact CG2-CE1 3.78Å; T168-Y170 HydrophobicContact CG2-CE2 4.18Å; T168-Y170 WeakPolarHBondContact O-CE2 3.44Å |
| 169 | H | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 152.1 | 174 | -67.8 | -82.1 | 0 | 0 | 0 | 109.6 | K110 A111 L117 E140 | K110-H169 WeakPolarHBondContact CA-O 3.24Å; A111-H169 PolarHBondContact N-O 3.37Å; A111-H169 PolarHBondContact O-N 2.99Å; L117-H169 HydrophobicContact CD1-CB 3.42Å; L117-H169 VanDerWaalsContact CD1-CB 3.42Å; L117-H169 WeakPolarHBondContact CD1-O 3.42Å; E140-H169 IonicContact OE1-ND1 3.96Å |
| 170 | Y | 98.2 | Very high | 97.4 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.9 | -173.8 | -61.1 | -77.3 | 0 | 0 | 0 | 110.5 | L108 V109 K110 E140 P141 P142 D144 T168 | L108-Y170 HydrophobicContact CD1-CD1 4.38Å; V109-Y170 CarbonylContact O-C 3.57Å; V109-Y170 WeakPolarHBondContact O-CA 3.3Å; K110-Y170 HydrophobicContact CB-CD1 4.23Å; K110-Y170 HydrophobicContact CB-CE1 4.14Å; K110-Y170 HydrophobicContact CD-CD1 4.22Å; K110-Y170 HydrophobicContact CD-CE1 3.7Å; K110-Y170 HydrophobicContact CG-CD1 3.71Å; K110-Y170 HydrophobicContact CG-CE1 3.66Å; E140-Y170 WeakPolarHBondContact CG-O 3.3Å; P141-Y170 HydrophobicContact CB-CG 4.42Å; P142-Y170 WeakPolarHBondContact O-CD2 3.49Å; D144-Y170 HydrophobicContact CB-CE2 3.94Å; T168-Y170 HydrophobicContact CG2-CE1 3.78Å; T168-Y170 HydrophobicContact CG2-CE2 4.18Å; T168-Y170 WeakPolarHBondContact O-CE2 3.44Å |
| 171 | R | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.7 | 166.1 | -66.1 | -68.5 | 176.1 | -140.1 | -13.2 | 108.6 | L108 V109 L117 D118 E121 E140 | L108-R171 WeakPolarHBondContact CA-O 3.28Å; V109-R171 HydrophobicContact CB-CB 4.49Å; V109-R171 PolarHBondContact N-O 3.41Å; V109-R171 PolarHBondContact O-N 3.48Å; L117-R171 HydrophobicContact CB-CG 3.75Å; L117-R171 HydrophobicContact CD1-CG 4.29Å; L117-R171 HydrophobicContact CD2-CB 4.47Å; L117-R171 HydrophobicContact CD2-CG 4.09Å; L117-R171 HydrophobicContact CG-CG 4.26Å; D118-R171 IonicContact OD1-CZ 3.41Å; D118-R171 VanDerWaalsContact OD1-CZ 3.25Å; D118-R171 IonicContact OD1-NE 3.73Å; D118-R171 PolarHBondContact OD1-NE 3.09Å; D118-R171 IonicContact OD1-NH2 3.25Å; D118-R171 PolarHBondContact OD1-NH2 3.09Å; E121-R171 VanDerWaalsContact OE2-CD 3.28Å; E121-R171 WeakPolarHBondContact OE2-CD 3.37Å; E121-R171 IonicContact OE2-NE 3.22Å; E121-R171 PolarHBondContact OE2-NE 3.04Å; E140-R171 IonicContact OE1-NH1 2.69Å; E140-R171 IonicContact OE1-NH2 3.25Å; E140-R171 IonicContact OE2-CZ 3.48Å; E140-R171 VanDerWaalsContact OE2-CZ 3.25Å; E140-R171 IonicContact OE2-NH1 2.94Å; E140-R171 PolarHBondContact OE2-NH1 3.4Å; E140-R171 IonicContact OE2-NH2 3.91Å; E140-R171 PolarHBondContact OE2-NH2 3.3Å |
| 172 | S | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.8 | 176 | -176 | 0 | 0 | 0 | 0 | 109.1 | V106 V138 F139 | V106-S172 WeakPolarHBondContact CG1-OG 3.32Å; V138-S172 WeakPolarHBondContact CA-O 3.38Å; F139-S172 WeakPolarHBondContact CE1-OG 3.28Å; F139-S172 PolarHBondContact N-O 2.81Å; F139-S172 PolarHBondContact O-N 2.8Å |
| 173 | I | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.9 | 176.8 | -56 | 173 | 0 | 0 | 0 | 107.6 | V107 A124 M135 V138 | V107-I173 PolarHBondContact N-O 2.79Å; V107-I173 PolarHBondContact O-N 2.85Å; A124-I173 HydrophobicContact CB-CD1 3.61Å; M135-I173 HydrophobicContact CE-CG2 3.74Å; V138-I173 HydrophobicContact CG1-CG1 4.2Å; V138-I173 HydrophobicContact CG2-CG2 4.26Å |
| 174 | E | 97.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.9 | 178.2 | -58.2 | -176.6 | 161.4 | 0 | 0 | 110.9 | K104 V106 G136 K137 F139 | K104-E174 WeakPolarHBondContact CE-OE1 3.35Å; K104-E174 WeakPolarHBondContact CE-OE2 3.46Å; K104-E174 IonicContact NZ-OE1 2.89Å; K104-E174 PolarHBondContact NZ-OE1 2.83Å; K104-E174 IonicContact NZ-OE2 2.69Å; K104-E174 PolarHBondContact NZ-OE2 3.05Å; K104-E174 VanDerWaalsContact NZ-OE2 3.13Å; V106-E174 HydrophobicContact CG2-CG 4.36Å; G136-E174 PolarHBondContact N-O 3Å; K137-E174 WeakPolarHBondContact O-CB 3.42Å; K137-E174 WeakPolarHBondContact O-CG 3.23Å; K137-E174 PolarHBondContact O-N 2.83Å; K137-E174 VanDerWaalsContact O-N 3.09Å; F139-E174 HydrophobicContact CE1-CG 4.46Å |
| 175 | L | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.6 | 169.4 | -53.6 | 174.5 | 0 | 0 | 0 | 108.7 | K104 V105 A128 I133 M135 V178 Y186 | K104-L175 CarbonylContact C-O 3.6Å; K104-L175 WeakPolarHBondContact CA-O 3.39Å; V105-L175 HydrophobicContact CB-CB 4.34Å; V105-L175 PolarHBondContact N-O 3.01Å; V105-L175 PolarHBondContact O-N 2.97Å; A128-L175 HydrophobicContact CB-CD2 4.07Å; I133-L175 HydrophobicContact CG2-CB 4.17Å; I133-L175 HydrophobicContact CG2-CD1 4.49Å; I133-L175 HydrophobicContact CG2-CD2 4.02Å; I133-L175 HydrophobicContact CG2-CG 4.46Å; M135-L175 HydrophobicContact CG-CD2 4.39Å; L175-V178 HydrophobicContact CB-CG2 3.83Å; L175-Y186 HydrophobicContact CD1-CD1 3.66Å; L175-Y186 HydrophobicContact CD1-CE1 3.47Å; L175-Y186 VanDerWaalsContact CD1-CE1 3.47Å |
| 176 | L | 97.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145 | -177 | -58.9 | 176.3 | 0 | 0 | 0 | 109.9 | K104 T134 | K104-L176 HydrophobicContact CB-CD2 4.42Å; K104-L176 HydrophobicContact CD-CD2 4.37Å; K104-L176 HydrophobicContact CG-CD2 4.12Å; T134-L176 HydrophobicContact CG2-CB 4.29Å; T134-L176 PolarHBondContact O-N 3.21Å |
| 177 | H | 96.1 | Very high | 97.2 | Very high | 136 Ų | 136 | 40.3 Ų | 40.3 | 63% | 0.63 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 63.2 | 172.7 | -45.2 | 108.5 | 0 | 0 | 0 | 113.2 | F102 Q103 | F102-H177 WeakPolarHBondContact O-CA 3.49Å; Q103-H177 PolarHBondContact O-N 2.89Å |
| 178 | V | 96.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.9 | -175.9 | -162.7 | 0 | 0 | 0 | 0 | 110.2 | F102 I133 L175 T182 A183 | F102-V178 WeakPolarHBondContact CA-O 3.44Å; F102-V178 WeakPolarHBondContact CB-O 3.32Å; F102-V178 PolarHBondContact N-O 3.13Å; F102-V178 PolarHBondContact O-N 2.94Å; I133-V178 HydrophobicContact CG2-CG2 3.78Å; L175-V178 HydrophobicContact CB-CG2 3.83Å; V178-T182 HydrophobicContact CG1-CG2 4.05Å; V178-A183 HydrophobicContact CG1-CB 3.92Å |
| 179 | T | 96.9 | Very high | 97.3 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 163.2 | 172.3 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | D99 T100 L101 C181 T182 A183 | D99-T179 VanDerWaalsContact OD2-CB 3.3Å; D99-T179 WeakPolarHBondContact OD2-CB 3.27Å; T100-T179 CarbonylContact O-C 3.57Å; L101-T179 HydrophobicContact CD2-CG2 3.94Å; T179-C181 PolarHBondContact OG1-SG 3.04Å; T179-C181 VanDerWaalsContact OG1-SG 3.36Å; T179-T182 PolarHBondContact O-N 3.2Å; T179-T182 WeakPolarHBondContact OG1-CB 3.43Å; T179-T182 PolarHBondContact OG1-N 3.49Å; T179-T182 PolarHBondContact OG1-OG1 2.69Å; T179-A183 VanDerWaalsContact O-CB 3.26Å; T179-A183 WeakPolarHBondContact O-CB 3.46Å; T179-A183 PolarHBondContact O-N 2.69Å |
| 180 | G | 96.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -49.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D99 T100 T182 A183 Q184 | D99-G180 VanDerWaalsContact OD1-CA 3.23Å; D99-G180 WeakPolarHBondContact OD1-CA 3.39Å; D99-G180 PolarHBondContact OD1-N 2.82Å; D99-G180 PolarHBondContact OD2-N 3.45Å; T100-G180 WeakPolarHBondContact O-CA 3.49Å; T100-G180 PolarHBondContact O-N 2.91Å; G180-T182 PolarHBondContact O-N 2.94Å; G180-A183 PolarHBondContact O-N 3.21Å; G180-Q184 WeakPolarHBondContact O-CB 3.35Å; G180-Q184 PolarHBondContact O-N 2.95Å |
| 181 | C | 95.1 | Very high | 97.2 | Very high | 67 Ų | 67 | 44.5 Ų | 44.5 | 45% | 0.453 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.2 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | D99 T179 Q184 V185 | D99-C181 PolarHBondContact OD1-N 2.9Å; D99-C181 PolarHBondContact OD2-N 3.47Å; D99-C181 PolarHBondContact OD2-SG 3.15Å; T179-C181 PolarHBondContact OG1-SG 3.04Å; T179-C181 VanDerWaalsContact OG1-SG 3.36Å; C181-Q184 WeakPolarHBondContact O-CB 3.5Å; C181-Q184 PolarHBondContact O-N 2.85Å; C181-V185 WeakPolarHBondContact O-CG2 3.48Å; C181-V185 PolarHBondContact O-N 2.99Å |
| 182 | T | 96.4 | Very high | 97.2 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | I133 V178 T179 G180 Q184 V185 Y186 | I133-T182 HydrophobicContact CD1-CG2 3.99Å; I133-T182 HydrophobicContact CG1-CG2 4.06Å; V178-T182 HydrophobicContact CG1-CG2 4.05Å; T179-T182 PolarHBondContact O-N 3.2Å; T179-T182 WeakPolarHBondContact OG1-CB 3.43Å; T179-T182 PolarHBondContact OG1-N 3.49Å; T179-T182 PolarHBondContact OG1-OG1 2.69Å; G180-T182 PolarHBondContact O-N 2.94Å; T182-Q184 VanDerWaalsContact C-N 3.29Å; T182-Q184 PolarHBondContact O-N 3.05Å; T182-V185 PolarHBondContact O-N 3.44Å; T182-Y186 WeakPolarHBondContact O-CB 3.33Å; T182-Y186 PolarHBondContact O-N 2.69Å |
| 183 | A | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | F102 V178 T179 G180 L187 | F102-A183 HydrophobicContact CD2-CB 4.02Å; F102-A183 HydrophobicContact CE2-CB 4.14Å; V178-A183 HydrophobicContact CG1-CB 3.92Å; T179-A183 VanDerWaalsContact O-CB 3.26Å; T179-A183 WeakPolarHBondContact O-CB 3.46Å; T179-A183 PolarHBondContact O-N 2.69Å; G180-A183 PolarHBondContact O-N 3.21Å; A183-L187 WeakPolarHBondContact O-CB 3.49Å; A183-L187 WeakPolarHBondContact O-CD1 3.48Å; A183-L187 WeakPolarHBondContact O-CG 3.5Å; A183-L187 PolarHBondContact O-N 3.01Å |
| 184 | Q | 96.4 | Very high | 97.2 | Very high | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.1 | -50.7 | 176.8 | -179.8 | 176.6 | -8.3 | 0 | 0 | 111.9 | G180 C181 T182 Y186 L187 E188 | G180-Q184 WeakPolarHBondContact O-CB 3.35Å; G180-Q184 PolarHBondContact O-N 2.95Å; C181-Q184 WeakPolarHBondContact O-CB 3.5Å; C181-Q184 PolarHBondContact O-N 2.85Å; T182-Q184 VanDerWaalsContact C-N 3.29Å; T182-Q184 PolarHBondContact O-N 3.05Å; Q184-Y186 PolarHBondContact O-N 2.72Å; Q184-L187 PolarHBondContact O-N 3.13Å; Q184-E188 VanDerWaalsContact O-CB 3.26Å; Q184-E188 WeakPolarHBondContact O-CB 3.42Å; Q184-E188 PolarHBondContact O-N 3.44Å |
| 185 | V | 97.1 | Very high | 97.2 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 179.1 | 172.6 | 0 | 0 | 0 | 0 | 111 | C181 T182 E188 Y189 | C181-V185 WeakPolarHBondContact O-CG2 3.48Å; C181-V185 PolarHBondContact O-N 2.99Å; T182-V185 PolarHBondContact O-N 3.44Å; V185-E188 PolarHBondContact O-N 2.82Å; V185-Y189 PolarHBondContact O-N 3.05Å |
| 186 | Y | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -53.1 | 177.2 | 175.9 | -102.8 | 0 | 0 | 0 | 111 | A124 A127 A128 L131 I133 L175 T182 Q184 E188 Y189 I190 | A124-Y186 PolarHBondContact O-OH 3.41Å; A127-Y186 HydrophobicContact CB-CE2 4.17Å; A128-Y186 HydrophobicContact CB-CE2 3.9Å; L131-Y186 HydrophobicContact CD1-CD2 3.79Å; L131-Y186 HydrophobicContact CD1-CG 4.42Å; I133-Y186 HydrophobicContact CD1-CD2 4.06Å; I133-Y186 HydrophobicContact CD1-CG 4.01Å; L175-Y186 HydrophobicContact CD1-CD1 3.66Å; L175-Y186 HydrophobicContact CD1-CE1 3.47Å; L175-Y186 VanDerWaalsContact CD1-CE1 3.47Å; T182-Y186 WeakPolarHBondContact O-CB 3.33Å; T182-Y186 PolarHBondContact O-N 2.69Å; Q184-Y186 PolarHBondContact O-N 2.72Å; Y186-E188 VanDerWaalsContact C-N 3.29Å; Y186-E188 PolarHBondContact O-N 3.04Å; Y186-Y189 WeakPolarHBondContact O-CB 3.48Å; Y186-Y189 PolarHBondContact O-N 2.9Å; Y186-Y189 VanDerWaalsContact O-N 3.11Å; Y186-I190 HydrophobicContact CD1-CD1 4.06Å; Y186-I190 HydrophobicContact CD1-CG1 4.38Å; Y186-I190 HydrophobicContact CE1-CD1 3.51Å; Y186-I190 HydrophobicContact CE1-CG1 4.15Å; Y186-I190 HydrophobicContact CE1-CG2 4.35Å; Y186-I190 HydrophobicContact CE2-CG2 4.02Å; Y186-I190 VanDerWaalsContact O-CG1 3.29Å; Y186-I190 WeakPolarHBondContact O-CG1 3.41Å; Y186-I190 PolarHBondContact O-N 3.33Å |
| 187 | L | 97.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | -179.3 | -72.5 | 171.7 | 0 | 0 | 0 | 112 | V107 A183 Q184 I190 Q191 V202 | V107-L187 HydrophobicContact CG2-CD2 4.25Å; A183-L187 WeakPolarHBondContact O-CB 3.49Å; A183-L187 WeakPolarHBondContact O-CD1 3.48Å; A183-L187 WeakPolarHBondContact O-CG 3.5Å; A183-L187 PolarHBondContact O-N 3.01Å; Q184-L187 PolarHBondContact O-N 3.13Å; L187-I190 HydrophobicContact CD2-CD1 3.98Å; L187-I190 WeakPolarHBondContact O-CG1 3.27Å; L187-Q191 WeakPolarHBondContact O-CB 3.48Å; L187-Q191 WeakPolarHBondContact O-CG 3.35Å; L187-Q191 PolarHBondContact O-N 3.21Å; L187-V202 HydrophobicContact CD1-CG1 4.1Å; L187-V202 HydrophobicContact CD2-CG1 3.79Å; L187-V202 HydrophobicContact CD2-CG2 3.91Å |
| 188 | E | 97.9 | Very high | 97.2 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 175.1 | 177.7 | 174.7 | -167.2 | 0 | 0 | 111.4 | Q184 V185 Y186 Q191 R192 | Q184-E188 VanDerWaalsContact O-CB 3.26Å; Q184-E188 WeakPolarHBondContact O-CB 3.42Å; Q184-E188 PolarHBondContact O-N 3.44Å; V185-E188 PolarHBondContact O-N 2.82Å; Y186-E188 VanDerWaalsContact C-N 3.29Å; Y186-E188 PolarHBondContact O-N 3.04Å; E188-Q191 PolarHBondContact O-N 3.28Å; E188-R192 WeakPolarHBondContact O-CB 3.33Å; E188-R192 WeakPolarHBondContact O-CG 3.38Å; E188-R192 PolarHBondContact O-N 3.14Å; E188-R192 IonicContact OE1-CZ 3.09Å; E188-R192 IonicContact OE1-NE 2.69Å; E188-R192 PolarHBondContact OE1-NE 3Å; E188-R192 IonicContact OE1-NH2 2.6Å; E188-R192 PolarHBondContact OE1-NH2 3.4Å |
| 189 | Y | 98.3 | Very high | 97.2 | Very high | 114 Ų | 114 | 66.6 Ų | 66.6 | 45% | 0.447 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 179.2 | -176.9 | -112.9 | 0 | 0 | 0 | 112.2 | F123 A127 V185 Y186 N193 | F123-Y189 HydrophobicContact CE1-CE1 4.39Å; F123-Y189 AromaticContact CE2-CE1 3.74Å; F123-Y189 HydrophobicContact CE2-CE1 3.74Å; F123-Y189 AromaticContact CE2-CZ 3.95Å; F123-Y189 HydrophobicContact CZ-CD1 4.03Å; F123-Y189 AromaticContact CZ-CE1 3.41Å; F123-Y189 HydrophobicContact CZ-CE1 3.41Å; F123-Y189 VanDerWaalsContact CZ-CE1 3.41Å; F123-Y189 AromaticContact CZ-CZ 3.83Å; A127-Y189 HydrophobicContact CB-CD1 4.03Å; A127-Y189 HydrophobicContact CB-CE1 3.86Å; V185-Y189 PolarHBondContact O-N 3.05Å; Y186-Y189 WeakPolarHBondContact O-CB 3.48Å; Y186-Y189 PolarHBondContact O-N 2.9Å; Y186-Y189 VanDerWaalsContact O-N 3.11Å; Y189-N193 PolarHBondContact O-N 3.35Å; Y189-N193 PolarHBondContact O-ND2 2.75Å |
| 190 | I | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.4 | -39.6 | 179 | 53.1 | 162.2 | 0 | 0 | 0 | 112.2 | V107 Y120 F123 A124 Y186 L187 R192 N193 L194 M200 | V107-I190 HydrophobicContact CG1-CD1 4.21Å; V107-I190 HydrophobicContact CG2-CD1 4.26Å; Y120-I190 PolarHBondContact OH-O 3.15Å; F123-I190 HydrophobicContact CE1-CG2 4.1Å; A124-I190 HydrophobicContact CB-CG2 4.4Å; Y186-I190 HydrophobicContact CD1-CD1 4.06Å; Y186-I190 HydrophobicContact CD1-CG1 4.38Å; Y186-I190 HydrophobicContact CE1-CD1 3.51Å; Y186-I190 HydrophobicContact CE1-CG1 4.15Å; Y186-I190 HydrophobicContact CE1-CG2 4.35Å; Y186-I190 HydrophobicContact CE2-CG2 4.02Å; Y186-I190 VanDerWaalsContact O-CG1 3.29Å; Y186-I190 WeakPolarHBondContact O-CG1 3.41Å; Y186-I190 PolarHBondContact O-N 3.33Å; L187-I190 HydrophobicContact CD2-CD1 3.98Å; L187-I190 WeakPolarHBondContact O-CG1 3.27Å; I190-R192 VanDerWaalsContact C-N 3.34Å; I190-R192 PolarHBondContact O-N 3.05Å; I190-N193 CarbonylContact O-C 3.52Å; I190-N193 PolarHBondContact O-N 3.27Å; I190-L194 PolarHBondContact O-N 3.26Å; I190-M200 HydrophobicContact CD1-CE 4.42Å; I190-M200 HydrophobicContact CD1-SD 4.04Å |
| 191 | Q | 97.7 | Very high | 97.4 | Very high | 106 Ų | 106 | 70.1 Ų | 70.1 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 177.3 | -77.4 | 172.8 | 4.9 | 0 | 0 | 112.5 | L187 E188 N193 L194 M200 | L187-Q191 WeakPolarHBondContact O-CB 3.48Å; L187-Q191 WeakPolarHBondContact O-CG 3.35Å; L187-Q191 PolarHBondContact O-N 3.21Å; E188-Q191 PolarHBondContact O-N 3.28Å; Q191-N193 PolarHBondContact O-N 3.17Å; Q191-L194 WeakPolarHBondContact O-CB 3.35Å; Q191-L194 PolarHBondContact O-N 2.89Å; Q191-M200 HydrophobicContact CB-CE 4.18Å; Q191-M200 HydrophobicContact CG-CE 3.14Å |
| 192 | R | 97.9 | Very high | 97.5 | Very high | 188 Ų | 188 | 69.2 Ų | 69.2 | 71% | 0.709 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.6 | -28 | 178.2 | -73.5 | 173.1 | 177 | -147.7 | 0.3 | 113 | E188 I190 | E188-R192 WeakPolarHBondContact O-CB 3.33Å; E188-R192 WeakPolarHBondContact O-CG 3.38Å; E188-R192 PolarHBondContact O-N 3.14Å; E188-R192 IonicContact OE1-CZ 3.09Å; E188-R192 IonicContact OE1-NE 2.69Å; E188-R192 PolarHBondContact OE1-NE 3Å; E188-R192 IonicContact OE1-NH2 2.6Å; E188-R192 PolarHBondContact OE1-NH2 3.4Å; I190-R192 VanDerWaalsContact C-N 3.34Å; I190-R192 PolarHBondContact O-N 3.05Å |
| 193 | N | 97.9 | Very high | 97.6 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 18.8 | -179 | -66.6 | -73 | 0 | 0 | 0 | 112.7 | F123 Y189 I190 Q191 P195 | F123-N193 HydrophobicContact CE1-CB 3.78Å; F123-N193 HydrophobicContact CZ-CB 3.62Å; Y189-N193 PolarHBondContact O-N 3.35Å; Y189-N193 PolarHBondContact O-ND2 2.75Å; I190-N193 CarbonylContact O-C 3.52Å; I190-N193 PolarHBondContact O-N 3.27Å; Q191-N193 PolarHBondContact O-N 3.17Å; N193-P195 WeakPolarHBondContact O-CD 3.39Å |
| 194 | L | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 75.1 Ų | 75.1 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 122.1 | 179.7 | -167.4 | 71.3 | 0 | 0 | 0 | 110.1 | Y120 I190 Q191 V198 M200 | Y120-L194 HydrophobicContact CE1-CD1 3.94Å; Y120-L194 HydrophobicContact CE2-CD1 4.26Å; Y120-L194 WeakPolarHBondContact OH-CD1 3.44Å; I190-L194 PolarHBondContact O-N 3.26Å; Q191-L194 WeakPolarHBondContact O-CB 3.35Å; Q191-L194 PolarHBondContact O-N 2.89Å; L194-V198 HydrophobicContact CD1-CB 4.41Å; L194-V198 HydrophobicContact CD1-CG1 3.95Å; L194-V198 HydrophobicContact CG-CB 4.48Å; L194-M200 HydrophobicContact CD1-CB 4.19Å; L194-M200 HydrophobicContact CD1-SD 4.32Å; L194-M200 HydrophobicContact CD2-CB 4.13Å |
| 195 | P | 98.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 71.7 Ų | 71.7 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 157.5 | -178.8 | 24.7 | -31.1 | 0 | 0 | 0 | 112.6 | V116 Y120 N193 V198 | V116-P195 HydrophobicContact CG1-CB 3.98Å; V116-P195 HydrophobicContact CG1-CG 3.65Å; Y120-P195 HydrophobicContact CD2-CG 4.15Å; Y120-P195 HydrophobicContact CG-CG 4.5Å; N193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-V198 HydrophobicContact CB-CG2 4.34Å; P195-V198 HydrophobicContact CG-CB 4.13Å; P195-V198 HydrophobicContact CG-CG2 3.67Å; P195-V198 WeakPolarHBondContact O-CB 3.41Å; P195-V198 PolarHBondContact O-N 2.65Å |
| 196 | E | 95.8 | Very high | 97.6 | Very high | 193 Ų | 193 | 70.1 Ų | 70.1 | 90% | 0.902 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 144 | 178.6 | -63 | 179.5 | -175.8 | 0 | 0 | 112.2 | V198 | E196-V198 PolarHBondContact O-N 2.94Š|
| 197 | G | 95.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 13.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 198 | V | 98.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 82.4 Ų | 82.4 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.2 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | V109 K110 A111 V116 L117 L194 P195 E196 | V109-V198 HydrophobicContact CG1-CG1 3.13Å; K110-V198 CarbonylContact O-C 3.58Å; K110-V198 WeakPolarHBondContact O-CA 3.32Å; A111-V198 HydrophobicContact CB-CB 4.42Å; A111-V198 HydrophobicContact CB-CG1 4.4Å; A111-V198 HydrophobicContact CB-CG2 3.72Å; V116-V198 HydrophobicContact CG1-CG2 3.72Å; L117-V198 HydrophobicContact CD2-CG1 4.49Å; L194-V198 HydrophobicContact CD1-CB 4.41Å; L194-V198 HydrophobicContact CD1-CG1 3.95Å; L194-V198 HydrophobicContact CG-CB 4.48Å; P195-V198 HydrophobicContact CB-CG2 4.34Å; P195-V198 HydrophobicContact CG-CB 4.13Å; P195-V198 HydrophobicContact CG-CG2 3.67Å; P195-V198 WeakPolarHBondContact O-CB 3.41Å; P195-V198 PolarHBondContact O-N 2.65Å; E196-V198 PolarHBondContact O-N 2.94Å |
| 199 | A | 97.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 88.2 Ų | 88.2 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V109 K110 | V109-A199 WeakPolarHBondContact CA-O 3.38Å; K110-A199 HydrophobicContact CB-CB 4.39Å; K110-A199 PolarHBondContact N-O 2.91Å; K110-A199 PolarHBondContact O-N 2.89Å |
| 200 | M | 98.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 88 Ų | 88 | 22% | 0.217 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.3 | -178.3 | -173.4 | 164.4 | 67.3 | 0 | 0 | 110.7 | V107 L108 I190 Q191 L194 V202 | V107-M200 HydrophobicContact CG1-CG 3.79Å; V107-M200 HydrophobicContact CG1-SD 3.53Å; V107-M200 VanDerWaalsContact CG1-SD 3.53Å; L108-M200 WeakPolarHBondContact O-CA 3.48Å; I190-M200 HydrophobicContact CD1-CE 4.42Å; I190-M200 HydrophobicContact CD1-SD 4.04Å; Q191-M200 HydrophobicContact CB-CE 4.18Å; Q191-M200 HydrophobicContact CG-CE 3.14Å; L194-M200 HydrophobicContact CD1-CB 4.19Å; L194-M200 HydrophobicContact CD1-SD 4.32Å; L194-M200 HydrophobicContact CD2-CB 4.13Å; M200-V202 HydrophobicContact CE-CG2 4.5Å; M200-V202 HydrophobicContact CG-CG2 4.18Å |
| 201 | E | 98.1 | Very high | 96.6 | Very high | 85 Ų | 85 | 90.7 Ų | 90.7 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.3 | 175.5 | 178.7 | 178.6 | 171.8 | 0 | 0 | 108.1 | L108 K110 | L108-E201 HydrophobicContact CB-CB 4.29Å; L108-E201 PolarHBondContact N-O 2.94Å; L108-E201 PolarHBondContact O-N 3.21Å; K110-E201 WeakPolarHBondContact CE-OE2 3.35Å; K110-E201 IonicContact NZ-OE2 2.65Å; K110-E201 PolarHBondContact NZ-OE2 2.86Å |
| 202 | V | 98.2 | Very high | 96.2 | Very high | 48 Ų | 48 | 92 Ų | 92 | 29% | 0.291 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.2 | -175.1 | -177 | 0 | 0 | 0 | 0 | 108.9 | V105 V106 L187 M200 K204 | V105-V202 HydrophobicContact CG1-CG1 3.97Å; V106-V202 WeakPolarHBondContact O-CA 3.34Å; L187-V202 HydrophobicContact CD1-CG1 4.1Å; L187-V202 HydrophobicContact CD2-CG1 3.79Å; L187-V202 HydrophobicContact CD2-CG2 3.91Å; M200-V202 HydrophobicContact CE-CG2 4.5Å; M200-V202 HydrophobicContact CG-CG2 4.18Å; V202-K204 HydrophobicContact CG1-CG 4.17Å |
| 203 | T | 98.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 89.9 Ų | 89.9 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 109 | V105 V106 | V105-T203 WeakPolarHBondContact CA-O 3.41Å; V106-T203 PolarHBondContact N-O 3.4Å; V106-T203 PolarHBondContact O-N 3.26Å |
| 204 | K | 97.5 | Very high | 95.2 | Very high | 106 Ų | 106 | 91.2 Ų | 91.2 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.8 | 179.8 | -57.6 | -179.1 | -177.3 | -177.5 | 0 | 109.9 | F102 V105 V202 | F102-K204 HydrophobicContact CD1-CB 3.9Å; F102-K204 HydrophobicContact CE1-CB 3.76Å; F102-K204 HydrophobicContact CE1-CD 4.03Å; F102-K204 HydrophobicContact CE1-CG 4.41Å; F102-K204 HydrophobicContact CE2-CD 4.28Å; F102-K204 HydrophobicContact CZ-CB 4.39Å; F102-K204 HydrophobicContact CZ-CD 3.8Å; V105-K204 HydrophobicContact CG1-CG 4.38Å; V105-K204 HydrophobicContact CG2-CG 4.5Å; V202-K204 HydrophobicContact CG1-CG 4.17Å |
| 205 | T | 97.6 | Very high | 94.8 | Very high | 59 Ų | 59 | 93.7 Ų | 93.7 | 36% | 0.362 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 99.7 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 108.6 | F102 Q103 K104 | F102-T205 CarbonylContact C-O 3.48Å; F102-T205 VanDerWaalsContact CA-O 3.3Å; F102-T205 WeakPolarHBondContact CA-O 3.49Å; Q103-T205 HydrophobicContact CB-CG2 4.49Å; Q103-T205 PolarHBondContact N-O 2.86Å; K104-T205 WeakPolarHBondContact O-CB 3.47Å; K104-T205 PolarHBondContact O-N 3.1Å |
| 206 | A | 96.6 | Very high | 94.2 | Very high | 51 Ų | 51 | 98.1 Ų | 98.1 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 145.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L101 F102 | L101-A206 CarbonylContact O-C 3.59Å; L101-A206 WeakPolarHBondContact O-CA 3.28Å; F102-A206 HydrophobicContact CD1-CB 4.08Å; F102-A206 HydrophobicContact CE1-CB 4Å |
| 207 | M | 95.4 | Very high | 93.6 | Very high | 92 Ų | 92 | 91.3 Ų | 91.3 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.2 | 169.7 | -65.2 | -171.7 | -66.1 | 0 | 0 | 108.3 | L101 Q103 | L101-M207 HydrophobicContact CB-CB 4.33Å; L101-M207 HydrophobicContact CB-CE 3.46Å; L101-M207 VanDerWaalsContact CB-CE 3.46Å; L101-M207 HydrophobicContact CD1-CE 4.17Å; L101-M207 HydrophobicContact CG-CE 4.44Å; L101-M207 PolarHBondContact O-N 3.36Å; Q103-M207 HydrophobicContact CB-CG 3.74Å; Q103-M207 HydrophobicContact CB-SD 3.97Å; Q103-M207 HydrophobicContact CG-SD 4.47Å |
| 208 | E | 93.5 | Very high | 92.8 | Very high | 176 Ų | 176 | 97.1 Ų | 97.1 | 82% | 0.822 | 51% | 0.506 | S | S | * | . | trans | -108.6 | 151 | 177 | -65.6 | -177.1 | 179.8 | 0 | 0 | 110.1 | ||||
| 209 | K | 92.8 | Very high | 91.8 | Very high | 198 Ų | 198 | 106 Ų | 106 | 86% | 0.861 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 153.3 | 172.1 | -64.5 | 178.7 | -176.5 | 175 | 0 | 109 | ||
| 210 | I | 92.9 | Very high | 90.4 | Very high | 108 Ų | 108 | 109.7 Ų | 109.7 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 129.8 | 169.3 | -62.2 | 172.8 | 0 | 0 | 0 | 107.5 | I214 L215 | I210-I214 HydrophobicContact CG2-CB 3.86Å; I210-I214 HydrophobicContact CG2-CG2 3.87Å; I210-L215 HydrophobicContact CB-CD2 4.13Å; I210-L215 HydrophobicContact CG2-CD2 3.79Å; I210-L215 HydrophobicContact CG2-CG 4.42Å |
| 211 | P | 93.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 114.7 Ų | 114.7 | 38% | 0.377 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 149.3 | -178.4 | 29.4 | -36.6 | 0 | 0 | 0 | 111.4 | H213 I214 | P211-H213 VanDerWaalsContact C-N 3.28Å; P211-H213 PolarHBondContact O-N 3.2Å; P211-H213 VanDerWaalsContact O-N 3.15Å; P211-I214 HydrophobicContact CG-CB 4.42Å; P211-I214 HydrophobicContact CG-CD1 3.53Å; P211-I214 HydrophobicContact CG-CG1 3.88Å; P211-I214 PolarHBondContact O-N 2.75Å |
| 212 | D | 88.6 | Confident | 87.1 | Confident | 134 Ų | 134 | 118.9 Ų | 118.9 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -55.7 | -39.8 | -168.5 | -55.5 | -27.1 | 0 | 0 | 0 | 113.6 | I214 L215 | D212-I214 PolarHBondContact O-N 2.92Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.28Å |
| 213 | H | 86.6 | Confident | 85.4 | Confident | 143 Ų | 143 | 121.7 Ų | 121.7 | 66% | 0.662 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.3 | -13.5 | -178.3 | 65.1 | -90.8 | 0 | 0 | 0 | 114.4 | P211 | P211-H213 VanDerWaalsContact C-N 3.28Å; P211-H213 PolarHBondContact O-N 3.2Å; P211-H213 VanDerWaalsContact O-N 3.15Å |
| 214 | I | 89.8 | Confident | 83.6 | Confident | 109 Ų | 109 | 125.4 Ų | 125.4 | 56% | 0.559 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -88.3 | -25.9 | 173 | -62.7 | -178.8 | 0 | 0 | 0 | 110.5 | I210 P211 D212 E216 | I210-I214 HydrophobicContact CG2-CB 3.86Å; I210-I214 HydrophobicContact CG2-CG2 3.87Å; P211-I214 HydrophobicContact CG-CB 4.42Å; P211-I214 HydrophobicContact CG-CD1 3.53Å; P211-I214 HydrophobicContact CG-CG1 3.88Å; P211-I214 PolarHBondContact O-N 2.75Å; D212-I214 PolarHBondContact O-N 2.92Å; I214-E216 VanDerWaalsContact C-N 3.32Å; I214-E216 PolarHBondContact O-N 3.13Å |
| 215 | L | 87.6 | Confident | 82.1 | Confident | 109 Ų | 109 | 127.3 Ų | 127.3 | 57% | 0.571 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.3 | -38.7 | -179.7 | -58.1 | 177.7 | 0 | 0 | 0 | 111.4 | I210 D212 | I210-L215 HydrophobicContact CB-CD2 4.13Å; I210-L215 HydrophobicContact CG2-CD2 3.79Å; I210-L215 HydrophobicContact CG2-CG 4.42Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.28Å |
| 216 | E | 85.8 | Confident | 80.3 | Confident | 136 Ų | 136 | 131 Ų | 131 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -113 | 115.2 | 179.2 | -65.3 | -171.8 | -178.1 | 0 | 0 | 111.1 | I214 M218 | I214-E216 VanDerWaalsContact C-N 3.32Å; I214-E216 PolarHBondContact O-N 3.13Å; E216-M218 PolarHBondContact O-N 2.89Å |
| 217 | P | 84.8 | Confident | 78.4 | Confident | 49 Ų | 49 | 138 Ų | 138 | 32% | 0.318 | 68% | 0.679 | S | S | . | * | trans | -64.8 | 133.8 | 172.6 | 23 | -29.1 | 0 | 0 | 0 | 110.2 | W219 K220 | P217-W219 HydrophobicContact CB-CD2 4.37Å; P217-W219 HydrophobicContact CB-CG 4.26Å; P217-W219 HydrophobicContact CB-CZ2 4.37Å; P217-W219 VanDerWaalsContact CB-NE1 3.28Å; P217-W219 HydrophobicContact CG-CZ2 4.46Å; P217-W219 PolarHBondContact O-N 2.86Å; P217-K220 HydrophobicContact CG-CD 4.43Å; P217-K220 HydrophobicContact CG-CG 4.2Å; P217-K220 PolarHBondContact O-N 3.04Å | ||
| 218 | M | 77.6 | Confident | 76.4 | Confident | 191 Ų | 191 | 138.8 Ų | 138.8 | 94% | 0.941 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.4 | 179.4 | -68.9 | -169.4 | 65.7 | 0 | 0 | 114.9 | E216 | E216-M218 PolarHBondContact O-N 2.89Š|
| 219 | W | 77.7 | Confident | 74.7 | Confident | 203 Ų | 203 | 135.6 Ų | 135.6 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 13.8 | -174.3 | 57.6 | -93.8 | 0 | 0 | 0 | 114.1 | P217 D221 | P217-W219 HydrophobicContact CB-CD2 4.37Å; P217-W219 HydrophobicContact CB-CG 4.26Å; P217-W219 HydrophobicContact CB-CZ2 4.37Å; P217-W219 VanDerWaalsContact CB-NE1 3.28Å; P217-W219 HydrophobicContact CG-CZ2 4.46Å; P217-W219 PolarHBondContact O-N 2.86Å; W219-D221 PolarHBondContact O-N 3.46Å |
| 220 | K | 67.4 | Low | 72.5 | Confident | 134 Ų | 134 | 139.6 Ų | 139.6 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -68.7 | 115.8 | 169.2 | -71.5 | 178.7 | -179.7 | 170.8 | 0 | 109.1 | P217 | P217-K220 HydrophobicContact CG-CD 4.43Å; P217-K220 HydrophobicContact CG-CG 4.2Å; P217-K220 PolarHBondContact O-N 3.04Å |
| 221 | D | 65.8 | Low | 71.5 | Confident | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.4 | -167.7 | -56.2 | -62 | 0 | 0 | 0 | 113.8 | W219 | W219-D221 PolarHBondContact O-N 3.46Š|
| 222 | H | 62.6 | Low | 70.4 | Confident | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132.8 | 159.8 | -72.1 | -27.4 | 0 | 0 | 0 | 108.5 | I224 | H222-I224 PolarHBondContact O-N 3.49Š|
| 223 | P | 61.9 | Low | 69.4 | Low | 108 Ų | 108 | 146.2 Ų | 146.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 118.7 | 173.8 | -18.7 | 29.4 | 0 | 0 | 0 | 109 | D225 | P223-D225 VanDerWaalsContact C-N 3.28Å; P223-D225 PolarHBondContact O-N 2.85Å |
| 224 | I | 61 | Low | 68.4 | Low | 149 Ų | 149 | 146.4 Ų | 146.4 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -72.7 | 93.7 | 167.8 | -61 | 167.4 | 0 | 0 | 0 | 105.3 | H222 D226 | H222-I224 PolarHBondContact O-N 3.49Å; I224-D226 HydrophobicContact CG2-CB 4.25Å; I224-D226 PolarHBondContact O-N 3.38Å | ||
| 225 | D | 65 | Low | 67 | Low | 146 Ų | 146 | 148.7 Ų | 148.7 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | trans | -71.8 | 69.4 | 170.3 | -75.1 | -29.4 | 0 | 0 | 0 | 109.9 | P223 K227 | P223-D225 VanDerWaalsContact C-N 3.28Å; P223-D225 PolarHBondContact O-N 2.85Å; D225-K227 VanDerWaalsContact C-N 3.31Å; D225-K227 PolarHBondContact O-N 3.15Å | ||
| 226 | D | 59.8 | Low | 65.6 | Low | 137 Ų | 137 | 151.3 Ų | 151.3 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -92.6 | 72 | 162.9 | -88.9 | -22.5 | 0 | 0 | 0 | 109.5 | I224 S228 | I224-D226 HydrophobicContact CG2-CB 4.25Å; I224-D226 PolarHBondContact O-N 3.38Å; D226-S228 PolarHBondContact O-N 3.29Å; D226-S228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | K | 57.3 | Low | 64.2 | Low | 197 Ų | 197 | 152.4 Ų | 152.4 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -75.5 | 74.2 | 148.3 | -79.5 | -168.2 | 179.6 | 178.1 | 0 | 108.3 | D225 S229 | D225-K227 VanDerWaalsContact C-N 3.31Å; D225-K227 PolarHBondContact O-N 3.15Å; K227-S229 PolarHBondContact O-N 3.03Å | ||
| 228 | S | 52.8 | Low | 62.6 | Low | 109 Ų | 109 | 160.4 Ų | 160.4 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -80.4 | 78.1 | 160.2 | 79.1 | 0 | 0 | 0 | 0 | 108.8 | D226 K230 | D226-S228 PolarHBondContact O-N 3.29Å; D226-S228 VanDerWaalsContact O-N 3.15Å; S228-K230 PolarHBondContact O-N 3.1Å | ||
| 229 | S | 58 | Low | 61.4 | Low | 108 Ų | 108 | 157.8 Ų | 157.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -71.8 | 101.8 | 159.8 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | K227 | K227-S229 PolarHBondContact O-N 3.03Š| ||
| 230 | K | 47.2 | Very low | 59.9 | Low | 282 Ų | 282 | 153.7 Ų | 153.7 | 100% | 1.226 | 80% | 0.796 | S | S | * | * | trans | -173.6 | 0 | 140.5 | -113.6 | 174.9 | -178.4 | 174.9 | 0 | 112 | S228 | S228-K230 PolarHBondContact O-N 3.1Š|
Retrieved 230 of 230 residues in 138 ms
(Link to these results)