| 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 | 37.9 | Very low | 32.1 | Very low | 249 Ų | 249 | 151.8 Ų | 151.8 | 100% | 1.227 | 85% | 0.851 | S | S | * | * | 0 | 108.2 | 0 | -88 | 135 | 66.9 | 0 | 0 | 108.3 | |||||
| 2 | G | 37.6 | Very low | 31.6 | Very low | 77 Ų | 77 | 147.4 Ų | 147.4 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -94.7 | 158 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | K | 33.1 | Very low | 31.4 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -146.9 | 131.8 | 149 | -76.9 | -165.4 | 176.3 | 177.1 | 0 | 108.9 | ||||
| 4 | A | 36.4 | Very low | 31.1 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -87 | 157.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | L | 35.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 165.6 | 122 | 131 | -89.6 | 159.1 | 0 | 0 | 0 | 109.5 | ||||
| 6 | S | 30.6 | Very low | 30.9 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | 170.7 | 151.6 | 113.1 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 7 | H | 29.6 | Very low | 30.7 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -119.8 | 170.8 | -162.6 | -154.5 | -80.4 | 0 | 0 | 0 | 108.1 | ||||
| 8 | V | 30.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 84.8 | 136.8 | 160.4 | -167.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 9 | A | 27.8 | Very low | 30.5 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | cis | -172.6 | 164.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | K | 26.6 | Very low | 30.4 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | 178.8 | 121.8 | 126.3 | -106.2 | -166.5 | 162.6 | 170.8 | 0 | 109.5 | |||||
| 11 | H | 27.6 | Very low | 30.3 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 71.9 | 134.1 | 96.3 | -109.2 | -88.1 | 0 | 0 | 0 | 111.5 | |||||
| 12 | T | 26.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | cis | -175.2 | 146 | 17.2 | -18.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 13 | C | 28.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | 163.9 | 122.7 | 98.7 | -87.9 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 14 | H | 27.3 | Very low | 29.2 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | 69.3 | 131.3 | 102 | -80.8 | -68 | 0 | 0 | 0 | 113.8 | |||||
| 15 | D | 29.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | cis | -165.2 | 146.2 | 7.9 | -111.3 | -18.4 | 0 | 0 | 0 | 110.9 | ||||
| 16 | E | 29.5 | Very low | 28.9 | Very low | 167 Ų | 167 | 125.9 Ų | 125.9 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | 48.6 | 144.6 | 135.9 | -60.9 | -161.7 | 141 | 0 | 0 | 122.3 | ||||
| 17 | C | 28.8 | Very low | 28.8 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 54% | 0.541 | 74% | 0.735 | S | S | . | * | cis | -165.3 | 161 | 6 | -141.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 18 | Q | 30 | Very low | 28.9 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 58.7 | 136.4 | 149.5 | -106.9 | 103.2 | 41.4 | 0 | 0 | 118.6 | ||||
| 19 | D | 27.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | cis | -167.4 | 143.9 | 34.5 | -130.2 | -26.6 | 0 | 0 | 0 | 112.7 | ||||
| 20 | S | 28.7 | Very low | 29 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | trans | 63.6 | 111.4 | 136.6 | -65.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 21 | L | 28.5 | Very low | 29.2 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | 51.3 | 134.9 | 125 | -63.7 | 132.8 | 0 | 0 | 0 | 117.7 | |||||
| 22 | T | 28.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | -169 | 142.9 | 52.3 | -21.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 23 | S | 28 | Very low | 29.6 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -18.7 | 138.7 | 160.2 | 53.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 24 | S | 29.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | -163.8 | 157.4 | 127.5 | -99.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 25 | P | 36.5 | Very low | 29.9 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -109.4 | 159.2 | -141.1 | 20.5 | -0.9 | 0 | 0 | 0 | 115.3 | ||||
| 26 | G | 29.9 | Very low | 30.1 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 53.3 | 98.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 27 | Y | 28.1 | Very low | 30.3 | Very low | 251 Ų | 251 | 134.4 Ų | 134.4 | 98% | 0.984 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 122.7 | 156.9 | -84.3 | -105.2 | 0 | 0 | 0 | 110.1 | ||||
| 28 | S | 31.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -130.2 | 141.1 | 158.5 | 47.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 29 | A | 30.7 | Very low | 30.9 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -92.5 | 155.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 30 | M | 30.2 | Very low | 31.6 | Very low | 175 Ų | 175 | 132 Ų | 132 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | 86 | 113.5 | 139.3 | -149.4 | 162.1 | 157.9 | 0 | 0 | 118.6 | ||||
| 31 | Q | 29.8 | Very low | 32.5 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | -177.2 | 151.8 | 118.5 | -101.7 | 172.6 | 9.3 | 0 | 0 | 113 | |||||
| 32 | T | 30.8 | Very low | 33.6 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 154 | -170.8 | 7.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 33 | D | 30.8 | Very low | 34.5 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 77.9 | 123.7 | 148.8 | -61.3 | -19.4 | 0 | 0 | 0 | 124 | ||||
| 34 | D | 31 | Very low | 35.4 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 60.7 | 105.6 | 140.4 | -73.3 | -24.7 | 0 | 0 | 0 | 121.7 | ||||
| 35 | S | 31 | Very low | 36.1 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 173 | 138.5 | 105.7 | -78.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 36 | K | 34.3 | Very low | 36.8 | Very low | 209 Ų | 209 | 137.2 Ų | 137.2 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -23.9 | 133.3 | 163.8 | -84.2 | 163.7 | 164.9 | 167.3 | 0 | 116.1 | ||||
| 37 | S | 32.3 | Very low | 38.2 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | 165.8 | 131.1 | 107.4 | -168 | 0 | 0 | 0 | 0 | 112 | |||||
| 38 | G | 33 | Very low | 39.6 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | 70.3 | 91.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 39 | G | 39 | Very low | 40.6 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | 68.8 | 106.7 | 125.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 40 | D | 42.1 | Very low | 42 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | -160.1 | 95.8 | 128.2 | -154.3 | 4.9 | 0 | 0 | 0 | 109.2 | |||||
| 41 | V | 48.6 | Very low | 43 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | -100.2 | 106.2 | 167.2 | 177.3 | 0 | 0 | 0 | 0 | 105.6 | Q43 | V41-Q43 PolarHBondContact O-N 3.42Š| ||
| 42 | S | 50.4 | Low | 44.3 | Very low | 80 Ų | 80 | 133 Ų | 133 | 56% | 0.559 | 74% | 0.742 | S | S | * | * | trans | -54.7 | 102.4 | 171.8 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | F44 | S42-F44 WeakPolarHBondContact O-CD2 3.15Å; S42-F44 PolarHBondContact O-N 3.31Å | ||
| 43 | Q | 47.3 | Very low | 45.5 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -78 | 88.5 | -179.2 | -170.8 | 143.2 | -27.9 | 0 | 0 | 109 | V41 | V41-Q43 PolarHBondContact O-N 3.42Š| ||
| 44 | F | 46.6 | Very low | 47 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66 | 128.9 | 166.7 | -68.8 | -84.3 | 0 | 0 | 0 | 108.8 | S42 Y46 | S42-F44 WeakPolarHBondContact O-CD2 3.15Å; S42-F44 PolarHBondContact O-N 3.31Å; F44-Y46 PolarHBondContact O-N 3.42Å |
| 45 | P | 45.4 | Very low | 48.7 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.2 | -179.6 | 24.2 | -30.4 | 0 | 0 | 0 | 109.3 | V47 | P45-V47 PolarHBondContact O-N 3.45Š|
| 46 | Y | 51.1 | Low | 50.3 | Low | 153 Ų | 153 | 130.1 Ų | 130.1 | 60% | 0.6 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 119.6 | 171.8 | -177.8 | -111.1 | 0 | 0 | 0 | 108.6 | F44 E48 G62 | F44-Y46 PolarHBondContact O-N 3.42Å; Y46-E48 HydrophobicContact CD1-CG 3.94Å; Y46-E48 HydrophobicContact CE1-CG 3.25Å; Y46-G62 WeakPolarHBondContact CE1-O 3.22Å; Y46-G62 PolarHBondContact OH-O 2.84Å |
| 47 | V | 57.7 | Low | 51.4 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 62% | 0.618 | 70% | 0.702 | S | S | * | * | trans | -109.6 | 114.5 | 176.7 | -128.4 | 0 | 0 | 0 | 0 | 108.1 | P45 F49 | P45-V47 PolarHBondContact O-N 3.45Å; V47-F49 HydrophobicContact CB-CD2 4.47Å; V47-F49 HydrophobicContact CB-CE2 4.29Å; V47-F49 PolarHBondContact O-N 2.89Å; V47-F49 VanDerWaalsContact O-N 3.17Å | ||
| 48 | E | 57.9 | Low | 53 | Low | 118 Ų | 118 | 122.5 Ų | 122.5 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | trans | -76.5 | 99 | 173 | -73.3 | 175.9 | 169.1 | 0 | 0 | 109.2 | Y46 T50 | Y46-E48 HydrophobicContact CD1-CG 3.94Å; Y46-E48 HydrophobicContact CE1-CG 3.25Å; E48-T50 PolarHBondContact O-N 3.24Å | ||
| 49 | F | 53.3 | Low | 54.5 | Low | 183 Ų | 183 | 122.6 Ų | 122.6 | 80% | 0.803 | 68% | 0.682 | S | S | * | * | trans | -74.4 | 81.5 | 165.5 | -80.3 | -89.6 | 0 | 0 | 0 | 109 | V47 G51 | V47-F49 HydrophobicContact CB-CD2 4.47Å; V47-F49 HydrophobicContact CB-CE2 4.29Å; V47-F49 PolarHBondContact O-N 2.89Å; V47-F49 VanDerWaalsContact O-N 3.17Å; F49-G51 PolarHBondContact O-N 3.17Å | ||
| 50 | T | 59.2 | Low | 55.7 | Low | 119 Ų | 119 | 120 Ų | 120 | 73% | 0.73 | 65% | 0.651 | S | S | * | * | trans | -75.8 | 67.5 | 166.1 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | E48 | E48-T50 PolarHBondContact O-N 3.24Š| ||
| 51 | G | 52 | Low | 56.8 | Low | 45 Ų | 45 | 119.9 Ų | 119.9 | 46% | 0.464 | 65% | 0.645 | S | S | . | * | trans | -66 | 144.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F49 D53 S54 | F49-G51 PolarHBondContact O-N 3.17Å; G51-D53 PolarHBondContact O-N 3.38Å; G51-S54 PolarHBondContact O-N 3.45Å; G51-S54 PolarHBondContact O-OG 2.65Å | ||
| 52 | R | 56.2 | Low | 57.7 | Low | 252 Ų | 252 | 114.4 Ų | 114.4 | 95% | 0.951 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -7.2 | -168.9 | -115.8 | 175.4 | -162.6 | 166.3 | 4.6 | 117.5 | ||
| 53 | D | 56.1 | Low | 58.6 | Low | 157 Ų | 157 | 114.5 Ų | 114.5 | 84% | 0.84 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 18.7 | 178.8 | -61.4 | -47.7 | 0 | 0 | 0 | 113.3 | G51 V55 | G51-D53 PolarHBondContact O-N 3.38Å; D53-V55 PolarHBondContact O-N 3.12Å |
| 54 | S | 62.3 | Low | 59.3 | Low | 68 Ų | 68 | 109.1 Ų | 109.1 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | trans | -79.8 | 114.4 | 178.3 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | G51 T56 | G51-S54 PolarHBondContact O-N 3.45Å; G51-S54 PolarHBondContact O-OG 2.65Å; S54-T56 PolarHBondContact O-N 3.23Å | ||
| 55 | V | 67.4 | Low | 60.1 | Low | 139 Ų | 139 | 110.6 Ų | 110.6 | 84% | 0.842 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 117.2 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | D53 C57 | D53-V55 PolarHBondContact O-N 3.12Å; V55-C57 PolarHBondContact O-N 2.97Å |
| 56 | T | 63.8 | Low | 61 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128 | 176.3 | -0.9 | 0 | 0 | 0 | 0 | 109.9 | S54 P58 | S54-T56 PolarHBondContact O-N 3.23Å; T56-P58 WeakPolarHBondContact O-CD 3.33Å |
| 57 | C | 58 | Low | 61.5 | Low | 57 Ų | 57 | 106.6 Ų | 106.6 | 39% | 0.385 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 120.9 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | V55 T59 C60 Q61 | V55-C57 PolarHBondContact O-N 2.97Å; C57-T59 PolarHBondContact O-N 2.99Å; C57-T59 VanDerWaalsContact O-N 3.13Å; C57-C60 VanDerWaalsContact CB-SG 3.56Å; C57-C60 PolarHBondContact O-N 3.26Å; C57-Q61 WeakPolarHBondContact O-CA 3.3Å; C57-Q61 PolarHBondContact O-N 3.03Å |
| 58 | P | 65.5 | Low | 61.6 | Low | 114 Ų | 114 | 112.5 Ų | 112.5 | 74% | 0.74 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -23.8 | -174.6 | 24 | -33.1 | 0 | 0 | 0 | 112.6 | T56 | T56-P58 WeakPolarHBondContact O-CD 3.33Š|
| 59 | T | 64.8 | Low | 61.7 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 46% | 0.46 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81 | -37.5 | -175.3 | -43.3 | 0 | 0 | 0 | 0 | 113.4 | C57 L74 | C57-T59 PolarHBondContact O-N 2.99Å; C57-T59 VanDerWaalsContact O-N 3.13Å; T59-L74 HydrophobicContact CG2-CD2 3.13Å |
| 60 | C | 64 | Low | 61.8 | Low | 27 Ų | 27 | 106.9 Ų | 106.9 | 18% | 0.182 | 60% | 0.599 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -113.7 | -0.1 | 179.4 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | C57 G62 T63 | C57-C60 VanDerWaalsContact CB-SG 3.56Å; C57-C60 PolarHBondContact O-N 3.26Å; C60-G62 PolarHBondContact O-N 3.21Å; C60-T63 PolarHBondContact O-N 3.4Å; C60-T63 PolarHBondContact O-OG1 3.23Å |
| 61 | Q | 66.3 | Low | 61.5 | Low | 154 Ų | 154 | 106.2 Ų | 106.2 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.5 | 26.3 | -178.3 | -61.7 | -178.1 | 3.7 | 0 | 0 | 114.2 | C57 T63 | C57-Q61 WeakPolarHBondContact O-CA 3.3Å; C57-Q61 PolarHBondContact O-N 3.03Å; Q61-T63 VanDerWaalsContact C-N 3.35Å |
| 62 | G | 67.2 | Low | 61.4 | Low | 15 Ų | 15 | 111.9 Ų | 111.9 | 16% | 0.155 | 61% | 0.607 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 82.8 | 1.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y46 C60 | Y46-G62 WeakPolarHBondContact CE1-O 3.22Å; Y46-G62 PolarHBondContact OH-O 2.84Å; C60-G62 PolarHBondContact O-N 3.21Å |
| 63 | T | 67.9 | Low | 61.1 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -89.6 | -6.9 | -178 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | C60 Q61 R65 | C60-T63 PolarHBondContact O-N 3.4Å; C60-T63 PolarHBondContact O-OG1 3.23Å; Q61-T63 VanDerWaalsContact C-N 3.35Å; T63-R65 PolarHBondContact O-N 2.91Å; T63-R65 PolarHBondContact OG1-O 2.03Å |
| 64 | G | 62.8 | Low | 61 | Low | 58 Ų | 58 | 103 Ų | 103 | 60% | 0.598 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 64.9 | 2.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 65 | R | 63 | Low | 60.7 | Low | 197 Ų | 197 | 104.6 Ų | 104.6 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | trans | -121.5 | 131.4 | 179.7 | -65.3 | -174.1 | 178.4 | 177 | 0.2 | 110 | T63 | T63-R65 PolarHBondContact O-N 2.91Å; T63-R65 PolarHBondContact OG1-O 2.03Å | ||
| 66 | I | 63.7 | Low | 60.3 | Low | 91 Ų | 91 | 102 Ų | 102 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | trans | -100.6 | 125.2 | 178.7 | -62.4 | 168.7 | 0 | 0 | 0 | 107.8 | R68 L74 | I66-R68 PolarHBondContact O-N 3.26Å; I66-L74 HydrophobicContact CG2-CD1 3.46Å; I66-L74 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 67 | P | 63.3 | Low | 59.9 | Low | 88 Ų | 88 | 104.7 Ų | 104.7 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | trans | -60.3 | 122.8 | 179.7 | -21.5 | 31.4 | 0 | 0 | 0 | 112.1 | G69 Q70 | P67-G69 PolarHBondContact O-N 2.86Å; P67-G69 VanDerWaalsContact O-N 3.1Å; P67-Q70 PolarHBondContact O-N 3.1Å | ||
| 68 | R | 58.8 | Low | 59.8 | Low | 227 Ų | 227 | 107.4 Ų | 107.4 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 96.7 | 177 | -66.6 | -143.5 | 177.7 | -172 | 1.5 | 110.1 | I66 E71 | I66-R68 PolarHBondContact O-N 3.26Å; R68-E71 WeakPolarHBondContact CA-OE1 3.35Å; R68-E71 VanDerWaalsContact CB-OE1 3.25Å; R68-E71 WeakPolarHBondContact CB-OE1 3.26Å; R68-E71 WeakPolarHBondContact CD-OE1 3.34Å; R68-E71 WeakPolarHBondContact CG-OE1 3.34Å |
| 69 | G | 59.5 | Low | 59 | Low | 78 Ų | 78 | 105.1 Ų | 105.1 | 80% | 0.804 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.7 | -19.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P67 | P67-G69 PolarHBondContact O-N 2.86Å; P67-G69 VanDerWaalsContact O-N 3.1Å |
| 70 | Q | 56.1 | Low | 58.3 | Low | 105 Ų | 105 | 113.4 Ų | 113.4 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | trans | -116 | 22.5 | 175.4 | -155.3 | 164.8 | 1.6 | 0 | 0 | 112.4 | P67 N72 Q73 L74 | P67-Q70 PolarHBondContact O-N 3.1Å; Q70-N72 VanDerWaalsContact C-N 3.31Å; Q70-N72 PolarHBondContact O-N 3.27Å; Q70-Q73 HydrophobicContact CG-CB 4Å; Q70-Q73 PolarHBondContact O-N 3.23Å; Q70-L74 VanDerWaalsContact O-CD1 3.26Å; Q70-L74 WeakPolarHBondContact O-CD1 3.44Å; Q70-L74 WeakPolarHBondContact O-CG 3.35Å | ||
| 71 | E | 53.5 | Low | 57.7 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 49% | 0.491 | 63% | 0.629 | S | S | . | * | G | 310 helix | trans | -60.7 | -38.6 | -179.3 | -55.1 | -173.6 | -153.5 | 0 | 0 | 112 | R68 Q73 L74 | R68-E71 WeakPolarHBondContact CA-OE1 3.35Å; R68-E71 VanDerWaalsContact CB-OE1 3.25Å; R68-E71 WeakPolarHBondContact CB-OE1 3.26Å; R68-E71 WeakPolarHBondContact CD-OE1 3.34Å; R68-E71 WeakPolarHBondContact CG-OE1 3.34Å; E71-Q73 VanDerWaalsContact C-N 3.26Å; E71-Q73 PolarHBondContact O-N 3.01Å; E71-L74 PolarHBondContact O-N 3.32Å |
| 72 | N | 48.6 | Very low | 57.3 | Low | 164 Ų | 164 | 112.7 Ų | 112.7 | 88% | 0.877 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -76.1 | -9.8 | -177 | -59.3 | -20.6 | 0 | 0 | 0 | 113.8 | Q70 | Q70-N72 VanDerWaalsContact C-N 3.31Å; Q70-N72 PolarHBondContact O-N 3.27Å |
| 73 | Q | 50.2 | Low | 56.6 | Low | 144 Ų | 144 | 119.7 Ų | 119.7 | 67% | 0.673 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -106.2 | -5.7 | 178.4 | -158.7 | 176.2 | 11.8 | 0 | 0 | 112.4 | Q70 E71 V75 | Q70-Q73 HydrophobicContact CG-CB 4Å; Q70-Q73 PolarHBondContact O-N 3.23Å; E71-Q73 VanDerWaalsContact C-N 3.26Å; E71-Q73 PolarHBondContact O-N 3.01Å; Q73-V75 PolarHBondContact O-N 3.16Å |
| 74 | L | 54 | Low | 55.9 | Low | 77 Ų | 77 | 127 Ų | 127 | 40% | 0.403 | 66% | 0.657 | S | S | . | * | trans | -80.7 | 61.7 | 173.2 | -71.5 | 149.3 | 0 | 0 | 0 | 109.5 | T59 I66 Q70 E71 | T59-L74 HydrophobicContact CG2-CD2 3.13Å; I66-L74 HydrophobicContact CG2-CD1 3.46Å; I66-L74 VanDerWaalsContact CG2-CD1 3.46Å; Q70-L74 VanDerWaalsContact O-CD1 3.26Å; Q70-L74 WeakPolarHBondContact O-CD1 3.44Å; Q70-L74 WeakPolarHBondContact O-CG 3.35Å; E71-L74 PolarHBondContact O-N 3.32Å | ||
| 75 | V | 56.4 | Low | 55.5 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 62% | 0.618 | 66% | 0.658 | S | S | * | * | trans | -78.6 | 122.5 | 163.2 | 179.7 | 0 | 0 | 0 | 0 | 105.7 | Q73 L77 | Q73-V75 PolarHBondContact O-N 3.16Å; V75-L77 PolarHBondContact O-N 3.42Å | ||
| 76 | A | 58.6 | Low | 55 | Low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | trans | -60 | 93.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | I78 | A76-I78 PolarHBondContact O-N 2.84Š| ||
| 77 | L | 56.3 | Low | 55 | Low | 154 Ų | 154 | 127.4 Ų | 127.4 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | trans | -71.4 | 82.5 | 170.2 | -72.8 | 167 | 0 | 0 | 0 | 106 | V75 P79 | V75-L77 PolarHBondContact O-N 3.42Å; L77-P79 WeakPolarHBondContact O-CD 3.49Å; L77-P79 VanDerWaalsContact O-N 3.12Å | ||
| 78 | I | 56.3 | Low | 55 | Low | 113 Ų | 113 | 133.3 Ų | 133.3 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | trans | -62.9 | 110.8 | 165.4 | -59 | 171.5 | 0 | 0 | 0 | 104.5 | A76 Y80 L85 | A76-I78 PolarHBondContact O-N 2.84Å; I78-Y80 PolarHBondContact O-N 3.43Å; I78-L85 HydrophobicContact CG2-CD2 4.46Å | ||
| 79 | P | 48.5 | Very low | 55.7 | Low | 66 Ų | 66 | 131.4 Ų | 131.4 | 43% | 0.429 | 65% | 0.654 | S | S | . | * | trans | -58.9 | 129.8 | -176.2 | 20.4 | -26.9 | 0 | 0 | 0 | 108.3 | L77 S81 D82 | L77-P79 WeakPolarHBondContact O-CD 3.49Å; L77-P79 VanDerWaalsContact O-N 3.12Å; P79-S81 PolarHBondContact O-N 3.32Å; P79-D82 HydrophobicContact CG-CB 4.1Å; P79-D82 WeakPolarHBondContact O-CB 3.07Å; P79-D82 PolarHBondContact O-N 3.04Å | ||
| 80 | Y | 49.6 | Very low | 56.6 | Low | 249 Ų | 249 | 131.5 Ų | 131.5 | 98% | 0.976 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -15.8 | 177.1 | -156.6 | -91.6 | 0 | 0 | 0 | 112 | I78 | I78-Y80 PolarHBondContact O-N 3.43Š|
| 81 | S | 52 | Low | 57.7 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 14.4 | 176.1 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | P79 Q83 | P79-S81 PolarHBondContact O-N 3.32Å; S81-Q83 PolarHBondContact O-N 2.71Å |
| 82 | D | 56.6 | Low | 59.2 | Low | 61 Ų | 61 | 133.5 Ų | 133.5 | 33% | 0.326 | 65% | 0.649 | S | S | . | * | trans | -63.7 | 118.3 | 176.3 | -160.9 | -23.6 | 0 | 0 | 0 | 110.9 | P79 R84 L85 R86 | P79-D82 HydrophobicContact CG-CB 4.1Å; P79-D82 WeakPolarHBondContact O-CB 3.07Å; P79-D82 PolarHBondContact O-N 3.04Å; D82-R84 PolarHBondContact O-N 3.32Å; D82-R84 PolarHBondContact OD1-N 2.95Å; D82-L85 HydrophobicContact CB-CB 4.49Å; D82-L85 PolarHBondContact O-N 2.92Å; D82-R86 PolarHBondContact O-N 3.21Å | ||
| 83 | Q | 52.6 | Low | 61.1 | Low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -19.2 | -174 | -162.5 | 137.2 | -32 | 0 | 0 | 112.6 | S81 | S81-Q83 PolarHBondContact O-N 2.71Š|
| 84 | R | 53.9 | Low | 63 | Low | 236 Ų | 236 | 129.9 Ų | 129.9 | 89% | 0.891 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -28.2 | 170.2 | -72.4 | -164.8 | 87 | -166.9 | 7.2 | 112.9 | D82 | D82-R84 PolarHBondContact O-N 3.32Å; D82-R84 PolarHBondContact OD1-N 2.95Å |
| 85 | L | 52.9 | Low | 64.8 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.5 | 177.9 | -110.2 | 72.2 | 0 | 0 | 0 | 113.2 | I78 D82 P87 | I78-L85 HydrophobicContact CG2-CD2 4.46Å; D82-L85 HydrophobicContact CB-CB 4.49Å; D82-L85 PolarHBondContact O-N 2.92Å; L85-P87 WeakPolarHBondContact O-CD 3.42Å |
| 86 | R | 53.7 | Low | 66.6 | Low | 181 Ų | 181 | 129.1 Ų | 129.1 | 68% | 0.683 | 62% | 0.623 | S | S | * | * | trans | -79 | 95.1 | 179.1 | -159.1 | 175.6 | -171.5 | -177.5 | 3.5 | 109.1 | D82 R88 | D82-R86 PolarHBondContact O-N 3.21Å; R86-R88 PolarHBondContact O-N 3.16Å | ||
| 87 | P | 64.3 | Low | 68.3 | Low | 54 Ų | 54 | 128.1 Ų | 128.1 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | trans | -88.4 | 64.9 | -166.3 | 31.6 | -15.9 | 0 | 0 | 0 | 107.7 | L85 R89 T90 K91 | L85-P87 WeakPolarHBondContact O-CD 3.42Å; P87-R89 PolarHBondContact O-N 3.31Å; P87-T90 WeakPolarHBondContact CB-OG1 3.44Å; P87-T90 PolarHBondContact O-N 3.07Å; P87-K91 HydrophobicContact CG-CG 4.47Å; P87-K91 WeakPolarHBondContact O-CB 3.41Å; P87-K91 WeakPolarHBondContact O-CG 3.34Å; P87-K91 PolarHBondContact O-N 3.29Å | ||
| 88 | R | 63.3 | Low | 70.2 | Confident | 212 Ų | 212 | 124 Ų | 124 | 80% | 0.8 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.5 | -32 | -175.8 | -160.6 | 177.2 | -177.6 | 177.7 | 0.3 | 111 | R86 | R86-R88 PolarHBondContact O-N 3.16Å |
| 89 | R | 72.3 | Confident | 72.1 | Confident | 188 Ų | 188 | 123.6 Ų | 123.6 | 71% | 0.709 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.5 | -44.8 | 173.7 | -61.4 | -67.4 | -175.9 | 177.6 | 0.6 | 111.7 | P87 K91 L92 Y93 | P87-R89 PolarHBondContact O-N 3.31Å; R89-K91 PolarHBondContact O-N 3.05Å; R89-L92 WeakPolarHBondContact O-CB 3.34Å; R89-L92 PolarHBondContact O-N 2.66Å; R89-L92 VanDerWaalsContact O-N 3.1Å; R89-Y93 HydrophobicContact CB-CD2 4.33Å; R89-Y93 HydrophobicContact CB-CE2 3.88Å; R89-Y93 WeakPolarHBondContact O-CD2 3.26Å; R89-Y93 PolarHBondContact O-N 3.14Å |
| 90 | T | 78.3 | Confident | 74.4 | Confident | 79 Ų | 79 | 125.2 Ų | 125.2 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.6 | -38.1 | 179.2 | -31.5 | 0 | 0 | 0 | 0 | 112.8 | P87 L92 Y93 V94 | P87-T90 WeakPolarHBondContact CB-OG1 3.44Å; P87-T90 PolarHBondContact O-N 3.07Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.18Å; T90-Y93 PolarHBondContact O-N 2.86Å; T90-V94 HydrophobicContact CG2-CG2 4.39Å; T90-V94 WeakPolarHBondContact O-CB 3.47Å; T90-V94 VanDerWaalsContact O-CG2 3.25Å; T90-V94 WeakPolarHBondContact O-CG2 3.23Å; T90-V94 PolarHBondContact O-N 2.88Å |
| 91 | K | 80.2 | Confident | 76.7 | Confident | 145 Ų | 145 | 116.8 Ų | 116.8 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.8 | -40.2 | 173 | -72.6 | -175 | -179.4 | -168.3 | 0 | 112 | P87 R89 M95 | P87-K91 HydrophobicContact CG-CG 4.47Å; P87-K91 WeakPolarHBondContact O-CB 3.41Å; P87-K91 WeakPolarHBondContact O-CG 3.34Å; P87-K91 PolarHBondContact O-N 3.29Å; R89-K91 PolarHBondContact O-N 3.05Å; K91-M95 WeakPolarHBondContact O-CB 3.5Å; K91-M95 VanDerWaalsContact O-CG 3.23Å; K91-M95 WeakPolarHBondContact O-CG 3.36Å; K91-M95 PolarHBondContact O-N 2.89Å |
| 92 | L | 84.9 | Confident | 78.8 | Confident | 108 Ų | 108 | 116.8 Ų | 116.8 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.6 | -42.1 | 176.4 | -174.9 | 143.1 | 0 | 0 | 0 | 111.8 | R89 T90 M95 A96 | R89-L92 WeakPolarHBondContact O-CB 3.34Å; R89-L92 PolarHBondContact O-N 2.66Å; R89-L92 VanDerWaalsContact O-N 3.1Å; T90-L92 VanDerWaalsContact C-N 3.3Å; T90-L92 PolarHBondContact O-N 3.18Å; L92-M95 PolarHBondContact O-N 2.99Å; L92-A96 VanDerWaalsContact O-CB 3.23Å; L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 2.8Å |
| 93 | Y | 88 | Confident | 80.7 | Confident | 153 Ų | 153 | 118 Ų | 118 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.6 | -43.5 | 176.2 | -68 | -59.8 | 0 | 0 | 0 | 112.5 | R89 T90 A96 S97 | R89-Y93 HydrophobicContact CB-CD2 4.33Å; R89-Y93 HydrophobicContact CB-CE2 3.88Å; R89-Y93 WeakPolarHBondContact O-CD2 3.26Å; R89-Y93 PolarHBondContact O-N 3.14Å; T90-Y93 PolarHBondContact O-N 2.86Å; Y93-A96 PolarHBondContact O-N 2.81Å; Y93-S97 WeakPolarHBondContact O-CB 3.47Å; Y93-S97 PolarHBondContact O-N 2.77Å; Y93-S97 PolarHBondContact O-OG 2.87Å |
| 94 | V | 91.1 | Very high | 82.8 | Confident | 78 Ų | 78 | 115.1 Ų | 115.1 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.3 | -43.5 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | T90 S97 V98 | T90-V94 HydrophobicContact CG2-CG2 4.39Å; T90-V94 WeakPolarHBondContact O-CB 3.47Å; T90-V94 VanDerWaalsContact O-CG2 3.25Å; T90-V94 WeakPolarHBondContact O-CG2 3.23Å; T90-V94 PolarHBondContact O-N 2.88Å; V94-S97 WeakPolarHBondContact CA-OG 3.21Å; V94-S97 PolarHBondContact O-N 2.82Å; V94-S97 PolarHBondContact O-OG 3.45Å; V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.38Å; V94-V98 PolarHBondContact O-N 3.15Å |
| 95 | M | 91.6 | Very high | 84.9 | Confident | 114 Ų | 114 | 107.1 Ų | 107.1 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 175.6 | -72.5 | -58 | -61.6 | 0 | 0 | 111.9 | K91 L92 S97 V98 I99 | K91-M95 WeakPolarHBondContact O-CB 3.5Å; K91-M95 VanDerWaalsContact O-CG 3.23Å; K91-M95 WeakPolarHBondContact O-CG 3.36Å; K91-M95 PolarHBondContact O-N 2.89Å; L92-M95 PolarHBondContact O-N 2.99Å; M95-S97 VanDerWaalsContact C-N 3.35Å; M95-S97 PolarHBondContact O-N 2.72Å; M95-V98 PolarHBondContact O-N 2.77Å; M95-I99 VanDerWaalsContact O-CG1 3.28Å; M95-I99 WeakPolarHBondContact O-CG1 3.4Å; M95-I99 PolarHBondContact O-N 3.45Å |
| 96 | A | 93.4 | Very high | 86.9 | Confident | 49 Ų | 49 | 105.8 Ų | 105.8 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L92 Y93 I99 L100 | L92-A96 VanDerWaalsContact O-CB 3.23Å; L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 2.8Å; Y93-A96 PolarHBondContact O-N 2.81Å; A96-I99 PolarHBondContact O-N 2.93Å; A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.29Å; A96-L100 PolarHBondContact O-N 2.62Å |
| 97 | S | 94.6 | Very high | 88.9 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.5 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | Y93 V94 M95 C101 | Y93-S97 WeakPolarHBondContact O-CB 3.47Å; Y93-S97 PolarHBondContact O-N 2.77Å; Y93-S97 PolarHBondContact O-OG 2.87Å; V94-S97 WeakPolarHBondContact CA-OG 3.21Å; V94-S97 PolarHBondContact O-N 2.82Å; V94-S97 PolarHBondContact O-OG 3.45Å; M95-S97 VanDerWaalsContact C-N 3.35Å; M95-S97 PolarHBondContact O-N 2.72Å; S97-C101 VanDerWaalsContact O-CB 3.28Å; S97-C101 WeakPolarHBondContact O-CB 3.48Å; S97-C101 PolarHBondContact O-N 2.88Å |
| 98 | V | 96.6 | Very high | 90.3 | Very high | 68 Ų | 68 | 100.3 Ų | 100.3 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | V94 M95 L100 C101 L102 | V94-V98 VanDerWaalsContact O-CG2 3.27Å; V94-V98 WeakPolarHBondContact O-CG2 3.38Å; V94-V98 PolarHBondContact O-N 3.15Å; M95-V98 PolarHBondContact O-N 2.77Å; V98-L100 PolarHBondContact O-N 3.26Å; V98-C101 PolarHBondContact O-N 2.93Å; V98-L102 HydrophobicContact CG1-CD1 4.11Å; V98-L102 HydrophobicContact CG1-CG 4.46Å; V98-L102 WeakPolarHBondContact O-CG 3.02Å; V98-L102 PolarHBondContact O-N 3.11Å |
| 99 | I | 96.5 | Very high | 91.7 | Very high | 103 Ų | 103 | 94.6 Ų | 94.6 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 178.1 | -68 | 166 | 0 | 0 | 0 | 111.1 | M95 A96 C101 L102 L103 | M95-I99 VanDerWaalsContact O-CG1 3.28Å; M95-I99 WeakPolarHBondContact O-CG1 3.4Å; M95-I99 PolarHBondContact O-N 3.45Å; A96-I99 PolarHBondContact O-N 2.93Å; I99-C101 VanDerWaalsContact C-N 3.34Å; I99-C101 PolarHBondContact O-N 3.48Å; I99-L102 PolarHBondContact O-N 2.93Å; I99-L103 WeakPolarHBondContact O-CB 3.14Å; I99-L103 PolarHBondContact O-N 2.95Å |
| 100 | L | 96.8 | Very high | 92.6 | Very high | 101 Ų | 101 | 90.5 Ų | 90.5 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.5 | 179.7 | 63.7 | 0 | 0 | 0 | 111.3 | A96 V98 L103 L104 | A96-L100 VanDerWaalsContact O-CB 3.31Å; A96-L100 WeakPolarHBondContact O-CB 3.29Å; A96-L100 PolarHBondContact O-N 2.62Å; V98-L100 PolarHBondContact O-N 3.26Å; L100-L103 PolarHBondContact O-N 3.46Å; L100-L104 HydrophobicContact CD1-CD1 4.45Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.27Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 3.22Å |
| 101 | C | 96.9 | Very high | 93.3 | Very high | 72 Ų | 72 | 91.3 Ų | 91.3 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | S97 V98 I99 L103 L104 C105 | S97-C101 VanDerWaalsContact O-CB 3.28Å; S97-C101 WeakPolarHBondContact O-CB 3.48Å; S97-C101 PolarHBondContact O-N 2.88Å; V98-C101 PolarHBondContact O-N 2.93Å; I99-C101 VanDerWaalsContact C-N 3.34Å; I99-C101 PolarHBondContact O-N 3.48Å; C101-L103 VanDerWaalsContact C-N 3.29Å; C101-L103 PolarHBondContact O-N 2.76Å; C101-L104 PolarHBondContact O-N 2.86Å; C101-C105 WeakPolarHBondContact O-CB 3.46Å; C101-C105 PolarHBondContact O-N 2.66Å; C101-C105 PolarHBondContact O-SG 2.82Å |
| 102 | L | 96.8 | Very high | 93.7 | Very high | 106 Ų | 106 | 89.1 Ų | 89.1 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.8 | -43.9 | 176.1 | -71 | 175.5 | 0 | 0 | 0 | 111.4 | V98 I99 C105 T106 | V98-L102 HydrophobicContact CG1-CD1 4.11Å; V98-L102 HydrophobicContact CG1-CG 4.46Å; V98-L102 WeakPolarHBondContact O-CG 3.02Å; V98-L102 PolarHBondContact O-N 3.11Å; I99-L102 PolarHBondContact O-N 2.93Å; L102-C105 PolarHBondContact O-N 2.91Å; L102-T106 VanDerWaalsContact O-CG2 3.29Å; L102-T106 WeakPolarHBondContact O-CG2 3.44Å; L102-T106 PolarHBondContact O-N 2.95Å; L102-T106 PolarHBondContact O-OG1 2.99Å |
| 103 | L | 97 | Very high | 94 | Very high | 86 Ų | 86 | 90.7 Ų | 90.7 | 45% | 0.45 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 177.2 | -172 | 154.2 | 0 | 0 | 0 | 110.8 | I99 L100 C101 C105 T106 L107 | I99-L103 WeakPolarHBondContact O-CB 3.14Å; I99-L103 PolarHBondContact O-N 2.95Å; L100-L103 PolarHBondContact O-N 3.46Å; C101-L103 VanDerWaalsContact C-N 3.29Å; C101-L103 PolarHBondContact O-N 2.76Å; L103-C105 PolarHBondContact O-N 3.29Å; L103-T106 WeakPolarHBondContact CA-OG1 3.09Å; L103-T106 PolarHBondContact O-N 2.96Å; L103-T106 PolarHBondContact O-OG1 3.08Å; L103-L107 HydrophobicContact CD2-CD1 3.46Å; L103-L107 VanDerWaalsContact CD2-CD1 3.46Å; L103-L107 HydrophobicContact CD2-CG 4.11Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 3.44Å |
| 104 | L | 96.6 | Very high | 94 | Very high | 101 Ų | 101 | 86.1 Ų | 86.1 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.8 | -68.2 | 175.5 | 0 | 0 | 0 | 112.4 | L100 C101 L107 A108 | L100-L104 HydrophobicContact CD1-CD1 4.45Å; L100-L104 HydrophobicContact CD1-CG 4.42Å; L100-L104 HydrophobicContact CG-CD1 4.27Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 3.22Å; C101-L104 PolarHBondContact O-N 2.86Å; L104-L107 PolarHBondContact O-N 2.75Å; L104-A108 WeakPolarHBondContact O-CB 3.43Å; L104-A108 PolarHBondContact O-N 2.84Å |
| 105 | C | 96.6 | Very high | 94 | Very high | 68 Ų | 68 | 86.6 Ų | 86.6 | 46% | 0.459 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 175.1 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | C101 L102 L103 L107 A108 V109 | C101-C105 WeakPolarHBondContact O-CB 3.46Å; C101-C105 PolarHBondContact O-N 2.66Å; C101-C105 PolarHBondContact O-SG 2.82Å; L102-C105 PolarHBondContact O-N 2.91Å; L103-C105 PolarHBondContact O-N 3.29Å; C105-L107 PolarHBondContact O-N 2.78Å; C105-A108 PolarHBondContact O-N 2.82Å; C105-V109 WeakPolarHBondContact O-CG2 3.45Å; C105-V109 PolarHBondContact O-N 3.24Å |
| 106 | T | 95.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 84.5 Ų | 84.5 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | L102 L103 V109 F110 | L102-T106 VanDerWaalsContact O-CG2 3.29Å; L102-T106 WeakPolarHBondContact O-CG2 3.44Å; L102-T106 PolarHBondContact O-N 2.95Å; L102-T106 PolarHBondContact O-OG1 2.99Å; L103-T106 WeakPolarHBondContact CA-OG1 3.09Å; L103-T106 PolarHBondContact O-N 2.96Å; L103-T106 PolarHBondContact O-OG1 3.08Å; T106-V109 PolarHBondContact O-N 2.88Å; T106-F110 VanDerWaalsContact O-CB 3.28Å; T106-F110 WeakPolarHBondContact O-CB 3.43Å; T106-F110 PolarHBondContact O-N 2.86Å |
| 107 | L | 95 | Very high | 93.7 | Very high | 73 Ų | 73 | 82.6 Ų | 82.6 | 38% | 0.382 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.8 | -72.6 | 176.7 | 0 | 0 | 0 | 111 | L103 L104 C105 V109 F110 F111 | L103-L107 HydrophobicContact CD2-CD1 3.46Å; L103-L107 VanDerWaalsContact CD2-CD1 3.46Å; L103-L107 HydrophobicContact CD2-CG 4.11Å; L103-L107 WeakPolarHBondContact O-CG 3.47Å; L103-L107 PolarHBondContact O-N 3.44Å; L104-L107 PolarHBondContact O-N 2.75Å; C105-L107 PolarHBondContact O-N 2.78Å; L107-V109 VanDerWaalsContact C-N 3.33Å; L107-V109 PolarHBondContact O-N 2.9Å; L107-F110 PolarHBondContact O-N 2.82Å; L107-F111 HydrophobicContact CB-CD2 4.35Å; L107-F111 HydrophobicContact CB-CE2 4.29Å; L107-F111 HydrophobicContact CD2-CE2 4.06Å; L107-F111 WeakPolarHBondContact O-CD2 3.23Å; L107-F111 PolarHBondContact O-N 2.87Å |
| 108 | A | 93.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L104 C105 L112 | L104-A108 WeakPolarHBondContact O-CB 3.43Å; L104-A108 PolarHBondContact O-N 2.84Å; C105-A108 PolarHBondContact O-N 2.82Å; A108-L112 VanDerWaalsContact O-CB 3.22Å; A108-L112 WeakPolarHBondContact O-CB 3.36Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.18Å; A108-L112 PolarHBondContact O-N 2.84Å |
| 109 | V | 92.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 80.7 Ų | 80.7 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.4 | -46.7 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | C105 T106 L107 F111 L112 F113 | C105-V109 WeakPolarHBondContact O-CG2 3.45Å; C105-V109 PolarHBondContact O-N 3.24Å; T106-V109 PolarHBondContact O-N 2.88Å; L107-V109 VanDerWaalsContact C-N 3.33Å; L107-V109 PolarHBondContact O-N 2.9Å; V109-F111 VanDerWaalsContact C-N 3.31Å; V109-F111 PolarHBondContact O-N 3.12Å; V109-L112 PolarHBondContact O-N 2.85Å; V109-F113 HydrophobicContact CG1-CB 4.43Å; V109-F113 WeakPolarHBondContact O-CA 3.39Å; V109-F113 WeakPolarHBondContact O-CB 3.34Å; V109-F113 PolarHBondContact O-N 2.74Å |
| 110 | F | 92.6 | Very high | 93.4 | Very high | 103 Ų | 103 | 80.3 Ų | 80.3 | 45% | 0.452 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.2 | -38.8 | -179.2 | 177.5 | -95.9 | 0 | 0 | 0 | 113.7 | T106 L107 R115 Y153 | T106-F110 VanDerWaalsContact O-CB 3.28Å; T106-F110 WeakPolarHBondContact O-CB 3.43Å; T106-F110 PolarHBondContact O-N 2.86Å; L107-F110 PolarHBondContact O-N 2.82Å; F110-R115 VanDerWaalsContact CZ-NH2 3.27Å; F110-Y153 HydrophobicContact CD1-CE2 4.35Å; F110-Y153 AromaticContact CE1-CE2 3.73Å; F110-Y153 HydrophobicContact CE1-CE2 3.73Å; F110-Y153 AromaticContact CE1-CZ 3.93Å; F110-Y153 HydrophobicContact CZ-CE2 4.14Å |
| 111 | F | 91.5 | Very high | 93.1 | Very high | 95 Ų | 95 | 77.1 Ų | 77.1 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -82 | -33.2 | 179.8 | -71.9 | -63.5 | 0 | 0 | 0 | 113.8 | L107 V109 Y153 | L107-F111 HydrophobicContact CB-CD2 4.35Å; L107-F111 HydrophobicContact CB-CE2 4.29Å; L107-F111 HydrophobicContact CD2-CE2 4.06Å; L107-F111 WeakPolarHBondContact O-CD2 3.23Å; L107-F111 PolarHBondContact O-N 2.87Å; V109-F111 VanDerWaalsContact C-N 3.31Å; V109-F111 PolarHBondContact O-N 3.12Å; F111-Y153 HydrophobicContact CD1-CD1 4.23Å; F111-Y153 AromaticContact CD1-CD2 3.82Å; F111-Y153 HydrophobicContact CD1-CD2 3.82Å; F111-Y153 HydrophobicContact CD1-CE2 4.33Å; F111-Y153 AromaticContact CD1-CG 3.76Å; F111-Y153 HydrophobicContact CD1-CG 3.76Å; F111-Y153 HydrophobicContact CE1-CD1 4.34Å; F111-Y153 HydrophobicContact CE1-CD2 4.5Å; F111-Y153 HydrophobicContact CE1-CG 4.32Å |
| 112 | L | 89.6 | Confident | 92.7 | Very high | 100 Ų | 100 | 76.2 Ų | 76.2 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -95.4 | -16.2 | -176 | -63.3 | 173.8 | 0 | 0 | 0 | 113.7 | A108 V109 F233 | A108-L112 VanDerWaalsContact O-CB 3.22Å; A108-L112 WeakPolarHBondContact O-CB 3.36Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.18Å; A108-L112 PolarHBondContact O-N 2.84Å; V109-L112 PolarHBondContact O-N 2.85Å; L112-F233 HydrophobicContact CD2-CE2 4.17Å; L112-F233 HydrophobicContact CD2-CZ 3.86Å |
| 113 | F | 90.3 | Very high | 92.2 | Very high | 140 Ų | 140 | 71.6 Ų | 71.6 | 61% | 0.614 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -66.5 | 125.2 | 177.9 | -167.4 | -95.9 | 0 | 0 | 0 | 109.4 | V109 R115 | V109-F113 HydrophobicContact CG1-CB 4.43Å; V109-F113 WeakPolarHBondContact O-CA 3.39Å; V109-F113 WeakPolarHBondContact O-CB 3.34Å; V109-F113 PolarHBondContact O-N 2.74Å; F113-R115 PolarHBondContact O-N 2.81Å |
| 114 | P | 89.1 | Confident | 91.8 | Very high | 58 Ų | 58 | 68 Ų | 68 | 38% | 0.377 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 125.2 | -173.5 | 25.8 | -33.7 | 0 | 0 | 0 | 110.1 | Y154 Y232 | P114-Y154 WeakPolarHBondContact CA-OH 3.39Å; P114-Y232 HydrophobicContact CB-CE2 4.11Å |
| 115 | R | 90.7 | Very high | 91.5 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 33% | 0.332 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 156.8 | 168.2 | -68.7 | -174.1 | 171.5 | -172.2 | 2.9 | 109.7 | F110 F113 N151 N152 Y153 | F110-R115 VanDerWaalsContact CZ-NH2 3.27Å; F113-R115 PolarHBondContact O-N 2.81Å; R115-N151 HydrophobicContact CB-CB 4.41Å; R115-N151 WeakPolarHBondContact CD-O 3.47Å; R115-N152 PolarHBondContact N-OD1 2.93Å; R115-N152 PolarHBondContact O-ND2 2.76Å; R115-N152 VanDerWaalsContact O-ND2 3.08Å; R115-N152 PolarHBondContact O-OD1 3.24Å; R115-Y153 PolarHBondContact NH1-OH 3.27Å; R115-Y153 VanDerWaalsContact NH1-OH 3.16Å; R115-Y153 PolarHBondContact NH2-OH 2.83Å; R115-Y153 VanDerWaalsContact NH2-OH 3.11Å |
| 116 | S | 87.4 | Confident | 91.3 | Very high | 70 Ų | 70 | 65.1 Ų | 65.1 | 49% | 0.49 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 143.8 | 179.4 | 59 | 0 | 0 | 0 | 0 | 111.7 | N151 | S116-N151 WeakPolarHBondContact O-CB 3.39Š|
| 117 | I | 92.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.3 | 169.8 | -62.8 | 164.1 | 0 | 0 | 0 | 106.5 | I148 V156 T230 Y232 | I117-I148 HydrophobicContact CG2-CG2 3.9Å; I117-V156 HydrophobicContact CD1-CG1 3.96Å; I117-V156 HydrophobicContact CD1-CG2 4.48Å; I117-T230 HydrophobicContact CD1-CG2 4.04Å; I117-T230 VanDerWaalsContact CD1-OG1 3.25Å; I117-T230 WeakPolarHBondContact CD1-OG1 3.14Å; I117-T230 HydrophobicContact CG2-CG2 4.43Å; I117-Y232 HydrophobicContact CD1-CD1 4.47Å; I117-Y232 HydrophobicContact CD1-CE1 4.19Å |
| 118 | D | 93.1 | Very high | 91.2 | Very high | 73 Ų | 73 | 63.2 Ų | 63.2 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.8 | -176.8 | -59.7 | -38.5 | 0 | 0 | 0 | 109.1 | T149 N151 | D118-T149 PolarHBondContact N-O 2.88Å; D118-T149 VanDerWaalsContact N-O 3.08Å; D118-T149 PolarHBondContact O-N 2.84Å; D118-N151 PolarHBondContact OD2-ND2 3.08Å |
| 119 | V | 93.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.2 | 173.3 | -180 | 0 | 0 | 0 | 0 | 107 | L146 V228 V239 Q241 | V119-L146 HydrophobicContact CG1-CD2 3.84Å; V119-V228 HydrophobicContact CB-CG2 4.45Å; V119-V228 HydrophobicContact CG1-CG2 3.78Å; V119-V228 HydrophobicContact CG2-CB 4.04Å; V119-V228 HydrophobicContact CG2-CG1 4.48Å; V119-V228 HydrophobicContact CG2-CG2 3.81Å; V119-V239 HydrophobicContact CB-CG1 4.23Å; V119-V239 HydrophobicContact CG2-CB 4.08Å; V119-V239 HydrophobicContact CG2-CG1 3.9Å; V119-Q241 PolarHBondContact O-OE1 3.11Å; V119-Q241 VanDerWaalsContact O-OE1 3.11Å |
| 120 | N | 92.7 | Very high | 91.3 | Very high | 95 Ų | 95 | 60.6 Ų | 60.6 | 51% | 0.508 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.5 | 177.6 | -167.4 | 25.8 | 0 | 0 | 0 | 110.8 | N147 | N120-N147 PolarHBondContact N-O 3.02Å; N120-N147 PolarHBondContact O-N 2.98Å |
| 121 | Y | 90.9 | Very high | 91.3 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.7 | 174.9 | 178.5 | -97.5 | 0 | 0 | 0 | 110.2 | G123 V124 N144 L146 M224 I226 M243 Q245 | Y121-G123 VanDerWaalsContact CE1-CA 3.44Å; Y121-G123 VanDerWaalsContact CZ-C 3.44Å; Y121-G123 VanDerWaalsContact CZ-CA 3.47Å; Y121-G123 VanDerWaalsContact OH-CA 3.32Å; Y121-G123 WeakPolarHBondContact OH-CA 3.4Å; Y121-G123 PolarHBondContact OH-O 2.83Å; Y121-V124 PolarHBondContact OH-N 3.01Å; Y121-N144 HydrophobicContact CE2-CB 4.04Å; Y121-N144 WeakPolarHBondContact CE2-OD1 3.37Å; Y121-N144 PolarHBondContact OH-OD1 2.79Å; Y121-L146 HydrophobicContact CD2-CD2 4.29Å; Y121-M224 HydrophobicContact CD2-CE 4.29Å; Y121-M224 HydrophobicContact CE1-CE 4.14Å; Y121-M224 HydrophobicContact CE2-CE 3.46Å; Y121-M224 VanDerWaalsContact CE2-CE 3.46Å; Y121-M224 WeakPolarHBondContact OH-CE 3.41Å; Y121-I226 HydrophobicContact CD2-CD1 3.92Å; Y121-M243 HydrophobicContact CD1-CG 4.11Å; Y121-M243 HydrophobicContact CD1-SD 4.18Å; Y121-M243 HydrophobicContact CD2-SD 3.71Å; Y121-M243 HydrophobicContact CE1-CG 4.41Å; Y121-M243 HydrophobicContact CE2-SD 4.35Å; Y121-M243 HydrophobicContact CG-CG 4.16Å; Y121-M243 HydrophobicContact CG-SD 3.62Å; Y121-Q245 VanDerWaalsContact OH-CD 3.22Å; Y121-Q245 PolarHBondContact OH-NE2 2.77Å; Y121-Q245 PolarHBondContact OH-OE1 3.13Å |
| 122 | V | 88.8 | Confident | 91.5 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -47.7 | -177.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | S145 N147 | V122-S145 WeakPolarHBondContact CB-O 3.37Å; V122-S145 PolarHBondContact N-O 2.78Å; V122-N147 HydrophobicContact CG2-CB 4.05Å; V122-N147 WeakPolarHBondContact CG2-OD1 2.95Å |
| 123 | G | 86.7 | Confident | 91.6 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.9 | 172.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y121 N144 S145 | Y121-G123 VanDerWaalsContact CE1-CA 3.44Å; Y121-G123 VanDerWaalsContact CZ-C 3.44Å; Y121-G123 VanDerWaalsContact CZ-CA 3.47Å; Y121-G123 VanDerWaalsContact OH-CA 3.32Å; Y121-G123 WeakPolarHBondContact OH-CA 3.4Å; Y121-G123 PolarHBondContact OH-O 2.83Å; G123-N144 WeakPolarHBondContact O-CA 3.44Å; G123-S145 PolarHBondContact O-N 2.83Å |
| 124 | V | 88.6 | Confident | 91.6 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.6 | 168.7 | 160.2 | 0 | 0 | 0 | 0 | 106.6 | Y121 V127 V142 N144 Q245 | Y121-V124 PolarHBondContact OH-N 3.01Å; V124-V127 HydrophobicContact CG1-CG2 3.6Å; V124-V142 HydrophobicContact CG1-CG1 4.5Å; V124-V142 HydrophobicContact CG2-CG1 3.74Å; V124-N144 WeakPolarHBondContact CG2-OD1 3.45Å; V124-Q245 HydrophobicContact CG2-CG 4.38Å |
| 125 | K | 90.2 | Very high | 91.7 | Very high | 97 Ų | 97 | 61 Ų | 61 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -41.6 | 175.3 | -172 | 177.6 | -172.3 | 178 | 0 | 111.1 | T143 D192 A255 | K125-T143 HydrophobicContact CB-CG2 4.29Å; K125-T143 HydrophobicContact CD-CG2 4.43Å; K125-T143 PolarHBondContact N-O 3.26Å; K125-D192 IonicContact NZ-OD2 2.63Å; K125-D192 PolarHBondContact NZ-OD2 3.17Å; K125-A255 CarbonylContact C-O 3.55Å; K125-A255 PolarHBondContact O-N 2.82Å |
| 126 | S | 92.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 152.3 | 178.8 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | T143 T253 | S126-T143 PolarHBondContact N-O 3.1Å; S126-T143 PolarHBondContact O-N 2.9Å; S126-T143 VanDerWaalsContact OG-CB 3.3Å; S126-T143 WeakPolarHBondContact OG-CB 3.32Å; S126-T143 PolarHBondContact OG-OG1 3.24Å; S126-T253 CarbonylContact C-O 3.55Å; S126-T253 VanDerWaalsContact CA-O 3.23Å; S126-T253 WeakPolarHBondContact CA-O 3.47Å |
| 127 | V | 93.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.1 | 170.5 | -172.4 | 0 | 0 | 0 | 0 | 107.6 | V124 V129 L140 N141 V142 V247 N252 T253 | V124-V127 HydrophobicContact CG1-CG2 3.6Å; V127-V129 HydrophobicContact CG1-CG2 4.13Å; V127-L140 HydrophobicContact CG1-CD2 4.37Å; V127-N141 WeakPolarHBondContact CA-O 3.41Å; V127-V142 HydrophobicContact CG1-CG2 4.34Å; V127-V142 HydrophobicContact CG2-CG1 4.4Å; V127-V247 HydrophobicContact CB-CG1 4.43Å; V127-V247 HydrophobicContact CG1-CG1 3.71Å; V127-V247 HydrophobicContact CG2-CG1 3.93Å; V127-N252 WeakPolarHBondContact O-CA 3.25Å; V127-T253 WeakPolarHBondContact CB-OG1 3.38Å; V127-T253 PolarHBondContact N-O 3.45Å; V127-T253 PolarHBondContact O-N 2.98Å |
| 128 | Y | 94.6 | Very high | 92.3 | Very high | 120 Ų | 120 | 59.5 Ų | 59.5 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.4 | 169.3 | -65.6 | -83 | 0 | 0 | 0 | 109.8 | L140 N141 N252 | Y128-L140 CarbonylContact O-C 3.48Å; Y128-L140 WeakPolarHBondContact O-CA 3.36Å; Y128-N141 PolarHBondContact N-O 2.89Å; Y128-N141 PolarHBondContact O-N 3.41Å; Y128-N252 WeakPolarHBondContact CA-OD1 3.32Å |
| 129 | V | 94.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.3 | -174.5 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | V127 Y131 V138 Y139 L140 C249 G251 N252 | V127-V129 HydrophobicContact CG1-CG2 4.13Å; V129-Y131 HydrophobicContact CG1-CE1 3.78Å; V129-Y131 HydrophobicContact CG1-CE2 3.81Å; V129-Y131 WeakPolarHBondContact CG1-OH 3.4Å; V129-V138 HydrophobicContact CG1-CG1 4.25Å; V129-Y139 WeakPolarHBondContact CA-O 2.93Å; V129-L140 HydrophobicContact CB-CD2 4.16Å; V129-L140 HydrophobicContact CG1-CD2 3.88Å; V129-L140 HydrophobicContact CG2-CD2 3.66Å; V129-C249 WeakPolarHBondContact CG1-O 3.49Å; V129-G251 WeakPolarHBondContact CG2-O 3.34Å; V129-N252 PolarHBondContact N-OD1 2.96Å |
| 130 | S | 94.5 | Very high | 92.5 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.7 | 168.3 | 71.2 | 0 | 0 | 0 | 0 | 111.4 | Y139 | S130-Y139 PolarHBondContact N-O 2.86Å; S130-Y139 PolarHBondContact O-N 2.77Å; S130-Y139 WeakPolarHBondContact OG-CB 3.48Å |
| 131 | Y | 94 | Very high | 92.6 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.9 | -169.2 | -56.6 | -75.9 | 0 | 0 | 0 | 111.4 | V129 V138 Y207 C210 T211 C249 G250 | V129-Y131 HydrophobicContact CG1-CE1 3.78Å; V129-Y131 HydrophobicContact CG1-CE2 3.81Å; V129-Y131 WeakPolarHBondContact CG1-OH 3.4Å; Y131-V138 HydrophobicContact CD1-CB 4.39Å; Y131-V138 HydrophobicContact CD1-CG1 4Å; Y131-V138 HydrophobicContact CD1-CG2 4.03Å; Y131-V138 HydrophobicContact CE1-CG1 3.79Å; Y131-V138 HydrophobicContact CE1-CG2 4.17Å; Y131-Y207 HydrophobicContact CD1-CE2 4.4Å; Y131-C210 HydrophobicContact CE1-CB 3.99Å; Y131-C210 PolarHBondContact OH-O 3.41Å; Y131-T211 HydrophobicContact CD1-CG2 3.85Å; Y131-T211 HydrophobicContact CE1-CG2 3.84Å; Y131-T211 HydrophobicContact CG-CG2 4.27Å; Y131-C249 PolarHBondContact OH-O 3.37Å; Y131-G250 WeakPolarHBondContact OH-CA 3.36Å; Y131-G250 PolarHBondContact OH-O 2.92Å |
| 132 | D | 94.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 105.4 | 165.4 | -175 | -17.7 | 0 | 0 | 0 | 109.2 | S134 K135 R136 I137 Y139 | D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 PolarHBondContact O-N 2.85Å; D132-S134 WeakPolarHBondContact OD1-CB 3.38Å; D132-S134 PolarHBondContact OD1-N 2.8Å; D132-S134 PolarHBondContact OD1-OG 2.87Å; D132-K135 PolarHBondContact OD1-N 2.78Å; D132-K135 WeakPolarHBondContact OD2-CD 3.22Å; D132-R136 WeakPolarHBondContact O-CA 3.42Å; D132-R136 PolarHBondContact O-N 2.89Å; D132-I137 HydrophobicContact CB-CB 4.31Å; D132-I137 PolarHBondContact N-O 2.57Å; D132-I137 PolarHBondContact O-N 2.92Å; D132-I137 VanDerWaalsContact O-N 3.11Å; D132-Y139 HydrophobicContact CB-CE2 4.13Å |
| 133 | Q | 91.5 | Very high | 92.9 | Very high | 149 Ų | 149 | 54.1 Ų | 54.1 | 70% | 0.696 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31 | -179.6 | -172.6 | 171.9 | 16 | 0 | 0 | 112.8 | Y207 | Q133-Y207 WeakPolarHBondContact CA-OH 3.28Å; Q133-Y207 WeakPolarHBondContact CB-OH 3.21Å; Q133-Y207 WeakPolarHBondContact CG-OH 3.3Å |
| 134 | S | 92.1 | Very high | 93.2 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 73% | 0.727 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -36.4 | -177.1 | 70 | 0 | 0 | 0 | 0 | 111.9 | D132 | D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 PolarHBondContact O-N 2.85Å; D132-S134 WeakPolarHBondContact OD1-CB 3.38Å; D132-S134 PolarHBondContact OD1-N 2.8Å; D132-S134 PolarHBondContact OD1-OG 2.87Å |
| 135 | K | 91.2 | Very high | 93.3 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -3.2 | -178.1 | -61.8 | 179.4 | -172.3 | 169.9 | 0 | 113.9 | D132 I137 | D132-K135 PolarHBondContact OD1-N 2.78Å; D132-K135 WeakPolarHBondContact OD2-CD 3.22Å; K135-I137 VanDerWaalsContact C-N 3.31Å; K135-I137 HydrophobicContact CB-CD1 3.6Å; K135-I137 HydrophobicContact CB-CG1 3.76Å; K135-I137 HydrophobicContact CD-CD1 4Å; K135-I137 HydrophobicContact CG-CD1 4.46Å; K135-I137 PolarHBondContact O-N 2.63Å |
| 136 | R | 93.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 49 Ų | 49 | 42% | 0.419 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 43.9 | -174.4 | -59.2 | -70.1 | -168 | 149.9 | 11.2 | 112.3 | D132 Y207 D208 | D132-R136 WeakPolarHBondContact O-CA 3.42Å; D132-R136 PolarHBondContact O-N 2.89Å; R136-Y207 HydrophobicContact CB-CD1 4.44Å; R136-Y207 HydrophobicContact CB-CD2 4.46Å; R136-Y207 HydrophobicContact CB-CG 4.08Å; R136-Y207 WeakPolarHBondContact O-CB 3.39Å; R136-D208 IonicContact CZ-OD1 3.59Å; R136-D208 IonicContact NH1-OD1 2.65Å; R136-D208 PolarHBondContact NH1-OD1 2.98Å |
| 137 | I | 94.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140.4 | -178.4 | -61.4 | 174 | 0 | 0 | 0 | 109.9 | D132 K135 Y139 T198 A200 | D132-I137 HydrophobicContact CB-CB 4.31Å; D132-I137 PolarHBondContact N-O 2.57Å; D132-I137 PolarHBondContact O-N 2.92Å; D132-I137 VanDerWaalsContact O-N 3.11Å; K135-I137 VanDerWaalsContact C-N 3.31Å; K135-I137 HydrophobicContact CB-CD1 3.6Å; K135-I137 HydrophobicContact CB-CG1 3.76Å; K135-I137 HydrophobicContact CD-CD1 4Å; K135-I137 HydrophobicContact CG-CD1 4.46Å; K135-I137 PolarHBondContact O-N 2.63Å; I137-Y139 HydrophobicContact CB-CE2 4.42Å; I137-Y139 HydrophobicContact CG2-CD1 4.2Å; I137-Y139 HydrophobicContact CG2-CD2 4.32Å; I137-Y139 HydrophobicContact CG2-CE1 3.76Å; I137-Y139 HydrophobicContact CG2-CE2 3.88Å; I137-Y139 HydrophobicContact CG2-CG 4.46Å; I137-T198 HydrophobicContact CG2-CG2 3.6Å; I137-A200 HydrophobicContact CD1-CB 4.23Å; I137-A200 HydrophobicContact CG1-CB 3.97Å; I137-A200 HydrophobicContact CG2-CB 4.31Å |
| 138 | V | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.2 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | V129 Y131 L140 I199 Y207 C210 | V129-V138 HydrophobicContact CG1-CG1 4.25Å; Y131-V138 HydrophobicContact CD1-CB 4.39Å; Y131-V138 HydrophobicContact CD1-CG1 4Å; Y131-V138 HydrophobicContact CD1-CG2 4.03Å; Y131-V138 HydrophobicContact CE1-CG1 3.79Å; Y131-V138 HydrophobicContact CE1-CG2 4.17Å; V138-L140 HydrophobicContact CG1-CD2 4Å; V138-L140 HydrophobicContact CG1-CG 4.2Å; V138-I199 HydrophobicContact CB-CB 4.31Å; V138-I199 PolarHBondContact N-O 2.88Å; V138-I199 VanDerWaalsContact N-O 3.15Å; V138-I199 PolarHBondContact O-N 3.33Å; V138-Y207 HydrophobicContact CG2-CD2 4.16Å; V138-C210 HydrophobicContact CG2-CB 4.24Å |
| 139 | Y | 95.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.5 | 173.2 | -57.1 | -77.8 | 0 | 0 | 0 | 109.7 | V129 S130 D132 I137 T197 T198 | V129-Y139 WeakPolarHBondContact CA-O 2.93Å; S130-Y139 PolarHBondContact N-O 2.86Å; S130-Y139 PolarHBondContact O-N 2.77Å; S130-Y139 WeakPolarHBondContact OG-CB 3.48Å; D132-Y139 HydrophobicContact CB-CE2 4.13Å; I137-Y139 HydrophobicContact CB-CE2 4.42Å; I137-Y139 HydrophobicContact CG2-CD1 4.2Å; I137-Y139 HydrophobicContact CG2-CD2 4.32Å; I137-Y139 HydrophobicContact CG2-CE1 3.76Å; I137-Y139 HydrophobicContact CG2-CE2 3.88Å; I137-Y139 HydrophobicContact CG2-CG 4.46Å; Y139-T197 WeakPolarHBondContact CA-O 3.48Å; Y139-T198 HydrophobicContact CD1-CG2 3.86Å; Y139-T198 HydrophobicContact CE1-CG2 3.68Å |
| 140 | L | 94.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.5 | -179.5 | -57.1 | 171.6 | 0 | 0 | 0 | 108.5 | V127 Y128 V129 V138 V142 T197 I199 I220 V247 C249 | V127-L140 HydrophobicContact CG1-CD2 4.37Å; Y128-L140 CarbonylContact O-C 3.48Å; Y128-L140 WeakPolarHBondContact O-CA 3.36Å; V129-L140 HydrophobicContact CB-CD2 4.16Å; V129-L140 HydrophobicContact CG1-CD2 3.88Å; V129-L140 HydrophobicContact CG2-CD2 3.66Å; V138-L140 HydrophobicContact CG1-CD2 4Å; V138-L140 HydrophobicContact CG1-CG 4.2Å; L140-V142 HydrophobicContact CB-CG2 4.27Å; L140-T197 HydrophobicContact CB-CG2 4.46Å; L140-T197 PolarHBondContact N-O 2.9Å; L140-T197 WeakPolarHBondContact O-CA 3.33Å; L140-T197 VanDerWaalsContact O-CB 3.22Å; L140-T197 WeakPolarHBondContact O-CB 3.35Å; L140-T197 PolarHBondContact O-N 2.8Å; L140-I199 HydrophobicContact CD1-CD1 3.7Å; L140-I199 HydrophobicContact CD1-CG1 4.44Å; L140-I220 HydrophobicContact CD1-CD1 3.94Å; L140-V247 HydrophobicContact CD1-CG1 4.48Å; L140-C249 HydrophobicContact CD1-CB 4.29Å; L140-C249 HydrophobicContact CD2-CB 4.05Å |
| 141 | N | 95 | Very high | 93.6 | Very high | 59 Ų | 59 | 44 Ų | 44 | 32% | 0.316 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 99.8 | 169.3 | -72.9 | -18 | 0 | 0 | 0 | 108.2 | V127 Y128 M194 | V127-N141 WeakPolarHBondContact CA-O 3.41Å; Y128-N141 PolarHBondContact N-O 2.89Å; Y128-N141 PolarHBondContact O-N 3.41Å; N141-M194 HydrophobicContact CB-CG 4.22Å; N141-M194 HydrophobicContact CB-SD 3.86Å |
| 142 | V | 93.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 109.4 | -176.7 | -170.8 | 0 | 0 | 0 | 0 | 108.7 | V124 V127 L140 N144 M194 V195 V247 | V124-V142 HydrophobicContact CG1-CG1 4.5Å; V124-V142 HydrophobicContact CG2-CG1 3.74Å; V127-V142 HydrophobicContact CG1-CG2 4.34Å; V127-V142 HydrophobicContact CG2-CG1 4.4Å; L140-V142 HydrophobicContact CB-CG2 4.27Å; V142-N144 WeakPolarHBondContact CG1-ND2 3.46Å; V142-M194 WeakPolarHBondContact O-CA 3.4Å; V142-V195 PolarHBondContact N-O 2.81Å; V142-V195 VanDerWaalsContact N-O 3.1Å; V142-V195 PolarHBondContact O-N 2.8Å; V142-V247 HydrophobicContact CG1-CG2 4.44Å; V142-V247 HydrophobicContact CG2-CG1 4.26Å |
| 143 | T | 93.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 14% | 0.135 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.4 | 174.1 | -52.8 | 0 | 0 | 0 | 0 | 109.6 | K125 S126 Y193 | K125-T143 HydrophobicContact CB-CG2 4.29Å; K125-T143 HydrophobicContact CD-CG2 4.43Å; K125-T143 PolarHBondContact N-O 3.26Å; S126-T143 PolarHBondContact N-O 3.1Å; S126-T143 PolarHBondContact O-N 2.9Å; S126-T143 VanDerWaalsContact OG-CB 3.3Å; S126-T143 WeakPolarHBondContact OG-CB 3.32Å; S126-T143 PolarHBondContact OG-OG1 3.24Å; T143-Y193 WeakPolarHBondContact CA-O 3.49Å |
| 144 | N | 92.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155 | -175.3 | -74.1 | -74.4 | 0 | 0 | 0 | 110.9 | Y121 G123 V124 V142 D192 Y193 M224 | Y121-N144 HydrophobicContact CE2-CB 4.04Å; Y121-N144 WeakPolarHBondContact CE2-OD1 3.37Å; Y121-N144 PolarHBondContact OH-OD1 2.79Å; G123-N144 WeakPolarHBondContact O-CA 3.44Å; V124-N144 WeakPolarHBondContact CG2-OD1 3.45Å; V142-N144 WeakPolarHBondContact CG1-ND2 3.46Å; N144-D192 CarbonylContact O-C 3.6Å; N144-D192 VanDerWaalsContact O-CA 3.3Å; N144-D192 WeakPolarHBondContact O-CA 3.2Å; N144-Y193 HydrophobicContact CB-CD1 4.09Å; N144-Y193 HydrophobicContact CB-CD2 4.46Å; N144-Y193 HydrophobicContact CB-CE1 3.34Å; N144-Y193 HydrophobicContact CB-CE2 3.84Å; N144-Y193 WeakPolarHBondContact CB-OH 3.19Å; N144-Y193 PolarHBondContact N-O 2.91Å; N144-Y193 WeakPolarHBondContact O-CD1 3.5Å; N144-Y193 PolarHBondContact O-N 3.15Å; N144-M224 PolarHBondContact ND2-SD 3.25Å; N144-M224 VanDerWaalsContact ND2-SD 3.44Å |
| 145 | S | 92.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.3 | 176.1 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | V122 G123 D192 | V122-S145 WeakPolarHBondContact CB-O 3.37Å; V122-S145 PolarHBondContact N-O 2.78Å; G123-S145 PolarHBondContact O-N 2.83Å; S145-D192 WeakPolarHBondContact CB-OD1 3.3Å; S145-D192 PolarHBondContact OG-OD1 2.85Å |
| 146 | L | 92.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.7 | 175.3 | -77.3 | 155.7 | 0 | 0 | 0 | 110 | V119 Y121 I161 Q190 I191 Y193 I226 | V119-L146 HydrophobicContact CG1-CD2 3.84Å; Y121-L146 HydrophobicContact CD2-CD2 4.29Å; L146-I161 HydrophobicContact CD1-CD1 4.48Å; L146-I161 HydrophobicContact CD1-CG2 4.37Å; L146-Q190 CarbonylContact O-C 3.58Å; L146-Q190 VanDerWaalsContact O-CA 3.28Å; L146-Q190 WeakPolarHBondContact O-CA 3.44Å; L146-I191 PolarHBondContact N-O 2.86Å; L146-I191 PolarHBondContact O-N 3.11Å; L146-Y193 HydrophobicContact CB-CE1 4.41Å; L146-Y193 HydrophobicContact CD1-CD1 3.5Å; L146-Y193 HydrophobicContact CD1-CE1 3.1Å; L146-Y193 HydrophobicContact CG-CD1 4.14Å; L146-Y193 HydrophobicContact CG-CE1 3.47Å; L146-Y193 VanDerWaalsContact CG-CE1 3.47Å; L146-I226 HydrophobicContact CD1-CD1 4.3Å; L146-I226 HydrophobicContact CD1-CG2 3.73Å; L146-I226 HydrophobicContact CD2-CD1 3.89Å; L146-I226 HydrophobicContact CD2-CG2 4.33Å; L146-I226 HydrophobicContact CG-CD1 4.41Å |
| 147 | N | 94.1 | Very high | 93.9 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 16% | 0.155 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123.6 | 165.3 | -75.4 | -5.1 | 0 | 0 | 0 | 108.7 | N120 V122 M188 Q190 | N120-N147 PolarHBondContact N-O 3.02Å; N120-N147 PolarHBondContact O-N 2.98Å; V122-N147 HydrophobicContact CG2-CB 4.05Å; V122-N147 WeakPolarHBondContact CG2-OD1 2.95Å; N147-M188 HydrophobicContact CB-CG 4.42Å; N147-M188 HydrophobicContact CB-SD 4.08Å; N147-Q190 VanDerWaalsContact OD1-CB 3.27Å; N147-Q190 WeakPolarHBondContact OD1-CB 3.43Å; N147-Q190 VanDerWaalsContact OD1-CG 3.23Å; N147-Q190 WeakPolarHBondContact OD1-CG 3.35Å |
| 148 | I | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.8 | 174.5 | -51.8 | -177.5 | 0 | 0 | 0 | 107.3 | I117 V158 I161 I183 M188 K189 I191 V228 | I117-I148 HydrophobicContact CG2-CG2 3.9Å; I148-V158 HydrophobicContact CD1-CG1 4.31Å; I148-V158 HydrophobicContact CD1-CG2 4.37Å; I148-I161 HydrophobicContact CD1-CD1 4.21Å; I148-I183 HydrophobicContact CB-CD1 3.74Å; I148-I183 HydrophobicContact CG2-CD1 3.47Å; I148-I183 VanDerWaalsContact CG2-CD1 3.47Å; I148-M188 WeakPolarHBondContact O-CA 3.44Å; I148-K189 PolarHBondContact N-O 3.16Å; I148-K189 PolarHBondContact O-N 2.79Å; I148-I191 HydrophobicContact CD1-CD1 3.67Å; I148-I191 HydrophobicContact CG1-CD1 4.37Å; I148-V228 HydrophobicContact CD1-CG1 3.81Å; I148-V228 HydrophobicContact CD1-CG2 4.24Å |
| 149 | T | 95.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 26.4 Ų | 26.4 | 22% | 0.221 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.6 | -179.8 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | D118 N151 M188 | D118-T149 PolarHBondContact N-O 2.88Å; D118-T149 VanDerWaalsContact N-O 3.08Å; D118-T149 PolarHBondContact O-N 2.84Å; T149-N151 WeakPolarHBondContact CG2-OD1 3.38Å; T149-M188 HydrophobicContact CG2-CB 4.34Å; T149-M188 WeakPolarHBondContact OG1-CG 3.31Å |
| 150 | N | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 103.4 | 175.8 | 179 | 24 | 0 | 0 | 0 | 110.3 | N152 Y154 I183 S184 L186 D187 | N150-N152 PolarHBondContact O-N 3.49Å; N150-N152 WeakPolarHBondContact OD1-CB 3.23Å; N150-N152 PolarHBondContact OD1-N 2.93Å; N150-N152 VanDerWaalsContact OD1-N 3.08Å; N150-N152 PolarHBondContact OD1-ND2 3.08Å; N150-Y154 PolarHBondContact ND2-O 3.36Å; N150-I183 HydrophobicContact CB-CB 4.2Å; N150-I183 HydrophobicContact CB-CG2 3.6Å; N150-S184 PolarHBondContact ND2-O 2.92Å; N150-L186 CarbonylContact O-C 3.59Å; N150-L186 WeakPolarHBondContact O-CA 3.18Å; N150-L186 PolarHBondContact O-N 3.1Å; N150-L186 VanDerWaalsContact O-N 3.1Å; N150-D187 PolarHBondContact N-O 2.94Å; N150-D187 PolarHBondContact O-N 3.38Å |
| 151 | N | 93.6 | Very high | 94 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | trans | -84.1 | 4.4 | 177.3 | -61.8 | -19.4 | 0 | 0 | 0 | 113.5 | R115 S116 D118 T149 L186 | R115-N151 HydrophobicContact CB-CB 4.41Å; R115-N151 WeakPolarHBondContact CD-O 3.47Å; S116-N151 WeakPolarHBondContact O-CB 3.39Å; D118-N151 PolarHBondContact OD2-ND2 3.08Å; T149-N151 WeakPolarHBondContact CG2-OD1 3.38Å; N151-L186 WeakPolarHBondContact O-CD2 3.42Å | ||
| 152 | N | 93.8 | Very high | 94 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -80.1 | 156.1 | 177.5 | -65.1 | -80.1 | 0 | 0 | 0 | 112.1 | R115 N150 Y154 P185 L186 | R115-N152 PolarHBondContact N-OD1 2.93Å; R115-N152 PolarHBondContact O-ND2 2.76Å; R115-N152 VanDerWaalsContact O-ND2 3.08Å; R115-N152 PolarHBondContact O-OD1 3.24Å; N150-N152 PolarHBondContact O-N 3.49Å; N150-N152 WeakPolarHBondContact OD1-CB 3.23Å; N150-N152 PolarHBondContact OD1-N 2.93Å; N150-N152 VanDerWaalsContact OD1-N 3.08Å; N150-N152 PolarHBondContact OD1-ND2 3.08Å; N152-Y154 HydrophobicContact CB-CD1 4.06Å; N152-Y154 HydrophobicContact CB-CD2 4.1Å; N152-Y154 HydrophobicContact CB-CE1 3.87Å; N152-Y154 HydrophobicContact CB-CE2 3.89Å; N152-Y154 HydrophobicContact CB-CG 4.2Å; N152-Y154 PolarHBondContact O-N 3.25Å; N152-Y154 PolarHBondContact OD1-OH 3.05Å; N152-P185 WeakPolarHBondContact O-CA 3.45Å; N152-L186 PolarHBondContact O-N 2.84Å |
| 153 | Y | 93.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 22 Ų | 22 | 31% | 0.306 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -84.7 | 7.1 | 173.5 | -63.1 | -75.6 | 0 | 0 | 0 | 113.5 | F110 F111 R115 L186 | F110-Y153 HydrophobicContact CD1-CE2 4.35Å; F110-Y153 AromaticContact CE1-CE2 3.73Å; F110-Y153 HydrophobicContact CE1-CE2 3.73Å; F110-Y153 AromaticContact CE1-CZ 3.93Å; F110-Y153 HydrophobicContact CZ-CE2 4.14Å; F111-Y153 HydrophobicContact CD1-CD1 4.23Å; F111-Y153 AromaticContact CD1-CD2 3.82Å; F111-Y153 HydrophobicContact CD1-CD2 3.82Å; F111-Y153 HydrophobicContact CD1-CE2 4.33Å; F111-Y153 AromaticContact CD1-CG 3.76Å; F111-Y153 HydrophobicContact CD1-CG 3.76Å; F111-Y153 HydrophobicContact CE1-CD1 4.34Å; F111-Y153 HydrophobicContact CE1-CD2 4.5Å; F111-Y153 HydrophobicContact CE1-CG 4.32Å; R115-Y153 PolarHBondContact NH1-OH 3.27Å; R115-Y153 VanDerWaalsContact NH1-OH 3.16Å; R115-Y153 PolarHBondContact NH2-OH 2.83Å; R115-Y153 VanDerWaalsContact NH2-OH 3.11Å; Y153-L186 HydrophobicContact CD1-CD1 3.92Å; Y153-L186 HydrophobicContact CD1-CD2 4.46Å; Y153-L186 HydrophobicContact CD1-CG 4.28Å; Y153-L186 HydrophobicContact CE1-CD1 3.8Å; Y153-L186 HydrophobicContact CE1-CD2 4.34Å; Y153-L186 HydrophobicContact CE1-CG 4.43Å |
| 154 | Y | 93.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -129.4 | 157.7 | 176.7 | 52.6 | -97.1 | 0 | 0 | 0 | 110.1 | P114 N150 N152 V156 Y232 F233 | P114-Y154 WeakPolarHBondContact CA-OH 3.39Å; N150-Y154 PolarHBondContact ND2-O 3.36Å; N152-Y154 HydrophobicContact CB-CD1 4.06Å; N152-Y154 HydrophobicContact CB-CD2 4.1Å; N152-Y154 HydrophobicContact CB-CE1 3.87Å; N152-Y154 HydrophobicContact CB-CE2 3.89Å; N152-Y154 HydrophobicContact CB-CG 4.2Å; N152-Y154 PolarHBondContact O-N 3.25Å; N152-Y154 PolarHBondContact OD1-OH 3.05Å; Y154-V156 HydrophobicContact CD2-CG2 4.09Å; Y154-V156 HydrophobicContact CE2-CG2 3.94Å; Y154-Y232 HydrophobicContact CE2-CD1 4.49Å; Y154-Y232 AromaticContact CE2-CD2 3.81Å; Y154-Y232 HydrophobicContact CE2-CD2 3.81Å; Y154-Y232 AromaticContact CE2-CG 3.75Å; Y154-Y232 HydrophobicContact CE2-CG 3.75Å; Y154-Y232 WeakPolarHBondContact OH-CD2 3.28Å; Y154-F233 AromaticContact CD1-CE2 3.58Å; Y154-F233 HydrophobicContact CD1-CE2 3.58Å; Y154-F233 HydrophobicContact CD1-CZ 4.12Å; Y154-F233 HydrophobicContact CD2-CD2 4.3Å; Y154-F233 AromaticContact CD2-CE2 3.64Å; Y154-F233 HydrophobicContact CD2-CE2 3.64Å; Y154-F233 HydrophobicContact CD2-CZ 4.24Å; Y154-F233 HydrophobicContact CE1-CD2 4.49Å; Y154-F233 AromaticContact CE1-CE2 3.72Å; Y154-F233 HydrophobicContact CE1-CE2 3.72Å; Y154-F233 HydrophobicContact CE2-CD2 4.12Å; Y154-F233 AromaticContact CE2-CE2 3.79Å; Y154-F233 HydrophobicContact CE2-CE2 3.79Å; Y154-F233 AromaticContact CG-CE2 3.52Å; Y154-F233 HydrophobicContact CG-CE2 3.52Å; Y154-F233 AromaticContact CG-CZ 3.87Å; Y154-F233 HydrophobicContact CG-CZ 3.87Å; Y154-F233 AromaticContact CZ-CE2 3.8Å |
| 155 | S | 93.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 25.6 Ų | 25.6 | 48% | 0.476 | 13% | 0.134 | S | C | . | . | trans | -71 | 143.7 | 178.6 | -54 | 0 | 0 | 0 | 0 | 111 | I183 | S155-I183 VanDerWaalsContact CA-O 3.3Å; S155-I183 WeakPolarHBondContact CA-O 3.06Å | ||
| 156 | V | 94.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.8 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | I117 Y154 I183 T230 Y232 | I117-V156 HydrophobicContact CD1-CG1 3.96Å; I117-V156 HydrophobicContact CD1-CG2 4.48Å; Y154-V156 HydrophobicContact CD2-CG2 4.09Å; Y154-V156 HydrophobicContact CE2-CG2 3.94Å; V156-I183 PolarHBondContact N-O 3.03Å; V156-I183 PolarHBondContact O-N 3.08Å; V156-T230 HydrophobicContact CG1-CG2 4Å; V156-Y232 HydrophobicContact CG1-CD1 4.13Å; V156-Y232 HydrophobicContact CG2-CD1 4.29Å |
| 157 | D | 94.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 27.7 Ų | 27.7 | 41% | 0.412 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.5 | 179.8 | -62.3 | -29 | 0 | 0 | 0 | 110.6 | A159 T182 T230 V231 | D157-A159 PolarHBondContact O-N 2.64Å; D157-T182 WeakPolarHBondContact OD1-CB 3.47Å; D157-T182 WeakPolarHBondContact OD1-CG2 3.41Å; D157-T230 CarbonylContact O-C 3.59Å; D157-T230 VanDerWaalsContact O-CA 3.29Å; D157-T230 WeakPolarHBondContact O-CA 3.23Å; D157-V231 PolarHBondContact N-O 3.22Å; D157-V231 PolarHBondContact O-N 2.99Å |
| 158 | V | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 93.7 | 173.3 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | I148 I161 I180 T181 I183 V228 T230 | I148-V158 HydrophobicContact CD1-CG1 4.31Å; I148-V158 HydrophobicContact CD1-CG2 4.37Å; V158-I161 HydrophobicContact CG1-CD1 4.44Å; V158-I161 HydrophobicContact CG1-CG1 4.2Å; V158-I180 HydrophobicContact CB-CB 4.36Å; V158-I180 HydrophobicContact CG1-CB 4.21Å; V158-I180 HydrophobicContact CG1-CD1 3.82Å; V158-I180 PolarHBondContact O-N 3.18Å; V158-I180 VanDerWaalsContact O-N 3.15Å; V158-T181 WeakPolarHBondContact CB-O 3.27Å; V158-T181 PolarHBondContact N-O 2.85Å; V158-I183 HydrophobicContact CG2-CD1 3.68Å; V158-I183 HydrophobicContact CG2-CG1 3.98Å; V158-V228 HydrophobicContact CG1-CG1 4.12Å; V158-T230 HydrophobicContact CG2-CG2 4.42Å |
| 159 | A | 93.8 | Very high | 94 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -45.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D157 S178 N179 T229 V231 | D157-A159 PolarHBondContact O-N 2.64Å; A159-S178 CarbonylContact O-C 3.6Å; A159-S178 WeakPolarHBondContact O-CA 3.44Å; A159-N179 PolarHBondContact O-N 2.9Å; A159-T229 PolarHBondContact N-O 3.41Å; A159-V231 HydrophobicContact CB-CG2 3.66Å |
| 160 | N | 95.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.144 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145.9 | 179.7 | -59.6 | -77.5 | 0 | 0 | 0 | 112.4 | R176 I177 S178 T229 | N160-R176 PolarHBondContact ND2-NH2 3.3Å; N160-R176 VanDerWaalsContact ND2-NH2 3.12Å; N160-R176 PolarHBondContact OD1-NE 2.95Å; N160-I177 CarbonylContact C-O 3.58Å; N160-I177 WeakPolarHBondContact CA-O 3.34Å; N160-S178 WeakPolarHBondContact OD1-CA 3.21Å; N160-S178 WeakPolarHBondContact OD1-CB 3.28Å; N160-T229 PolarHBondContact N-O 3.34Å; N160-T229 PolarHBondContact O-N 2.8Å |
| 161 | I | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122 | 161 | -66.6 | 172.6 | 0 | 0 | 0 | 107.5 | L146 I148 V158 R176 I177 I180 I191 I226 T227 V228 | L146-I161 HydrophobicContact CD1-CD1 4.48Å; L146-I161 HydrophobicContact CD1-CG2 4.37Å; I148-I161 HydrophobicContact CD1-CD1 4.21Å; V158-I161 HydrophobicContact CG1-CD1 4.44Å; V158-I161 HydrophobicContact CG1-CG1 4.2Å; I161-R176 CarbonylContact O-C 3.49Å; I161-R176 WeakPolarHBondContact O-CA 3.3Å; I161-I177 PolarHBondContact N-O 3.23Å; I161-I177 PolarHBondContact O-N 2.82Å; I161-I180 HydrophobicContact CB-CD1 3.69Å; I161-I180 HydrophobicContact CD1-CD1 3.39Å; I161-I180 HydrophobicContact CG1-CD1 3.27Å; I161-I191 HydrophobicContact CD1-CD1 4.33Å; I161-I191 HydrophobicContact CD1-CG2 3.91Å; I161-I226 HydrophobicContact CG2-CG2 4.24Å; I161-T227 WeakPolarHBondContact CA-O 3.28Å; I161-V228 HydrophobicContact CG1-CG1 4.35Å; I161-V228 HydrophobicContact CG1-CG2 4.25Å |
| 162 | T | 95.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125 | 170.7 | -56.5 | 0 | 0 | 0 | 0 | 108.1 | T175 I226 T227 | T162-T175 WeakPolarHBondContact CA-O 3.41Å; T162-I226 CarbonylContact O-C 3.59Å; T162-I226 WeakPolarHBondContact O-CA 3.29Å; T162-T227 PolarHBondContact N-O 2.88Å; T162-T227 PolarHBondContact O-N 2.79Å |
| 163 | A | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K174 T175 Y193 V195 Q225 I226 | A163-K174 WeakPolarHBondContact O-CA 3.34Å; A163-T175 HydrophobicContact CB-CG2 3.88Å; A163-T175 PolarHBondContact N-O 2.84Å; A163-T175 PolarHBondContact O-N 3.12Å; A163-Y193 HydrophobicContact CB-CD2 3.77Å; A163-Y193 HydrophobicContact CB-CE2 3.46Å; A163-Y193 VanDerWaalsContact CB-CE2 3.46Å; A163-V195 HydrophobicContact CB-CG2 3.8Å; A163-Q225 CarbonylContact C-O 3.56Å; A163-Q225 WeakPolarHBondContact CA-O 3.47Å; A163-I226 HydrophobicContact CB-CG1 4.38Å |
| 164 | R | 96.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 36% | 0.362 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.6 | 176 | -61 | 175.9 | -172.8 | 170.1 | -0 | 108.3 | G173 K174 M224 Q225 | R164-G173 CarbonylContact C-O 3.51Å; R164-G173 WeakPolarHBondContact CA-O 3.49Å; R164-K174 HydrophobicContact CG-CG 4.27Å; R164-M224 CarbonylContact O-C 3.57Å; R164-M224 WeakPolarHBondContact O-CA 3.32Å; R164-Q225 HydrophobicContact CB-CB 4.34Å; R164-Q225 PolarHBondContact N-O 3Å; R164-Q225 PolarHBondContact O-N 2.93Å |
| 165 | V | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.8 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | I172 G173 V195 T197 V222 M224 | V165-I172 HydrophobicContact CB-CG1 4.35Å; V165-I172 HydrophobicContact CG1-CD1 3.99Å; V165-I172 HydrophobicContact CG1-CG1 3.89Å; V165-I172 WeakPolarHBondContact O-CG1 3.43Å; V165-I172 PolarHBondContact O-N 3.03Å; V165-G173 PolarHBondContact N-O 3.47Å; V165-G173 PolarHBondContact O-N 2.95Å; V165-G173 VanDerWaalsContact O-N 3.12Å; V165-V195 HydrophobicContact CB-CG1 4.48Å; V165-V195 HydrophobicContact CG2-CB 3.86Å; V165-V195 HydrophobicContact CG2-CG1 3.66Å; V165-V195 HydrophobicContact CG2-CG2 4.13Å; V165-T197 HydrophobicContact CB-CG2 4.5Å; V165-T197 HydrophobicContact CG1-CG2 4.14Å; V165-V222 HydrophobicContact CG1-CB 3.83Å; V165-V222 HydrophobicContact CG1-CG1 4.11Å; V165-V222 HydrophobicContact CG1-CG2 4.13Å; V165-M224 HydrophobicContact CG2-CG 4.22Å |
| 166 | Q | 94.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.9 | -179.6 | -51.6 | -173.8 | 11.7 | 0 | 0 | 110.2 | T170 V171 V222 M223 | Q166-T170 CarbonylContact C-O 3.57Å; Q166-T170 WeakPolarHBondContact CA-O 3.43Å; Q166-V171 HydrophobicContact CG-CG2 4Å; Q166-V222 CarbonylContact O-C 3.5Å; Q166-V222 WeakPolarHBondContact O-CA 3.47Å; Q166-M223 HydrophobicContact CB-CB 4.35Å; Q166-M223 HydrophobicContact CB-CE 4.32Å; Q166-M223 HydrophobicContact CG-CE 4.11Å; Q166-M223 PolarHBondContact N-O 3.35Å; Q166-M223 PolarHBondContact O-N 2.84Å |
| 167 | F | 93.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122.8 | 172 | 179.2 | -94.6 | 0 | 0 | 0 | 108.5 | Q169 T170 I172 M203 M206 I220 V221 V222 | F167-Q169 PolarHBondContact O-N 3.44Å; F167-T170 PolarHBondContact N-O 3.47Å; F167-T170 WeakPolarHBondContact O-CB 3.37Å; F167-T170 PolarHBondContact O-N 3.11Å; F167-I172 HydrophobicContact CB-CD1 3.52Å; F167-I172 HydrophobicContact CB-CG1 4.08Å; F167-I172 HydrophobicContact CB-CG2 4.15Å; F167-M203 HydrophobicContact CB-SD 4.42Å; F167-M203 HydrophobicContact CD1-CG 4.36Å; F167-M203 HydrophobicContact CD1-SD 3.71Å; F167-M206 HydrophobicContact CD1-CE 4.36Å; F167-M206 HydrophobicContact CE1-CE 3.31Å; F167-M206 HydrophobicContact CE2-CE 4.23Å; F167-M206 HydrophobicContact CZ-CE 3.23Å; F167-M206 HydrophobicContact CZ-SD 4.34Å; F167-I220 HydrophobicContact CE2-CB 4.07Å; F167-V221 VanDerWaalsContact CD2-O 3.26Å; F167-V221 WeakPolarHBondContact CD2-O 2.95Å; F167-V222 HydrophobicContact CD2-CG1 4.35Å |
| 168 | S | 88.8 | Confident | 94.1 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.2 | -176 | -168.5 | 0 | 0 | 0 | 0 | 113.8 | T170 | S168-T170 PolarHBondContact O-N 3.39Š|
| 169 | Q | 87.9 | Confident | 93.6 | Very high | 182 Ų | 182 | 59 Ų | 59 | 85% | 0.85 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | -1.2 | -176.4 | -52.8 | 171 | 80.4 | 0 | 0 | 115.9 | F167 | F167-Q169 PolarHBondContact O-N 3.44Š|
| 170 | T | 92.7 | Very high | 93.1 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.7 | 174.2 | -57 | 0 | 0 | 0 | 0 | 110.3 | Q166 F167 S168 I172 M203 | Q166-T170 CarbonylContact C-O 3.57Å; Q166-T170 WeakPolarHBondContact CA-O 3.43Å; F167-T170 PolarHBondContact N-O 3.47Å; F167-T170 WeakPolarHBondContact O-CB 3.37Å; F167-T170 PolarHBondContact O-N 3.11Å; S168-T170 PolarHBondContact O-N 3.39Å; T170-I172 PolarHBondContact O-N 2.99Å; T170-M203 HydrophobicContact CG2-CE 3.64Å; T170-M203 HydrophobicContact CG2-SD 4.36Å |
| 171 | V | 94.8 | Very high | 93 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 47% | 0.473 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 112.3 | 177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | Q166 | Q166-V171 HydrophobicContact CG-CG2 4Å |
| 172 | I | 94.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -13.8 | -179.8 | 51.6 | 167.2 | 0 | 0 | 0 | 113.2 | V165 F167 T170 T197 T198 I199 M203 V222 | V165-I172 HydrophobicContact CB-CG1 4.35Å; V165-I172 HydrophobicContact CG1-CD1 3.99Å; V165-I172 HydrophobicContact CG1-CG1 3.89Å; V165-I172 WeakPolarHBondContact O-CG1 3.43Å; V165-I172 PolarHBondContact O-N 3.03Å; F167-I172 HydrophobicContact CB-CD1 3.52Å; F167-I172 HydrophobicContact CB-CG1 4.08Å; F167-I172 HydrophobicContact CB-CG2 4.15Å; T170-I172 PolarHBondContact O-N 2.99Å; I172-T197 HydrophobicContact CB-CG2 3.84Å; I172-T197 HydrophobicContact CD1-CG2 3.31Å; I172-T197 HydrophobicContact CG1-CG2 3.48Å; I172-T197 VanDerWaalsContact CG1-CG2 3.48Å; I172-T197 CarbonylContact O-C 3.46Å; I172-T197 WeakPolarHBondContact O-CA 3.49Å; I172-T198 PolarHBondContact O-N 2.72Å; I172-I199 HydrophobicContact CD1-CG1 4.13Å; I172-M203 HydrophobicContact CG2-CE 3.43Å; I172-M203 VanDerWaalsContact CG2-CE 3.43Å; I172-M203 HydrophobicContact CG2-SD 3.71Å; I172-V222 HydrophobicContact CD1-CG1 4.14Å |
| 173 | G | 94.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 144.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R164 V165 P196 | R164-G173 CarbonylContact C-O 3.51Å; R164-G173 WeakPolarHBondContact CA-O 3.49Å; V165-G173 PolarHBondContact N-O 3.47Å; V165-G173 PolarHBondContact O-N 2.95Å; V165-G173 VanDerWaalsContact O-N 3.12Å; G173-P196 WeakPolarHBondContact CA-O 3.36Å |
| 174 | K | 95.9 | Very high | 92.8 | Very high | 136 Ų | 136 | 66.7 Ų | 66.7 | 59% | 0.591 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 132.2 | 174.2 | -177.2 | 177.6 | 177.1 | -176.6 | 0 | 109.7 | A163 R164 | A163-K174 WeakPolarHBondContact O-CA 3.34Å; R164-K174 HydrophobicContact CG-CG 4.27Å |
| 175 | T | 95.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 64.8 Ų | 64.8 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.1 | 172.4 | -169.2 | 0 | 0 | 0 | 0 | 110 | T162 A163 V195 | T162-T175 WeakPolarHBondContact CA-O 3.41Å; A163-T175 HydrophobicContact CB-CG2 3.88Å; A163-T175 PolarHBondContact N-O 2.84Å; A163-T175 PolarHBondContact O-N 3.12Å; T175-V195 HydrophobicContact CG2-CB 4.21Å; T175-V195 HydrophobicContact CG2-CG1 4.11Å; T175-V195 HydrophobicContact CG2-CG2 3.75Å |
| 176 | R | 95.4 | Very high | 92.6 | Very high | 160 Ų | 160 | 69.6 Ų | 69.6 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.4 | 171.5 | -177.3 | 179.5 | -176.2 | 143.6 | 3.8 | 108.2 | N160 I161 | N160-R176 PolarHBondContact ND2-NH2 3.3Å; N160-R176 VanDerWaalsContact ND2-NH2 3.12Å; N160-R176 PolarHBondContact OD1-NE 2.95Å; I161-R176 CarbonylContact O-C 3.49Å; I161-R176 WeakPolarHBondContact O-CA 3.3Å |
| 177 | I | 93.4 | Very high | 92.6 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | 176.7 | -52.7 | 173.2 | 0 | 0 | 0 | 106.9 | N160 I161 I180 Y193 | N160-I177 CarbonylContact C-O 3.58Å; N160-I177 WeakPolarHBondContact CA-O 3.34Å; I161-I177 PolarHBondContact N-O 3.23Å; I161-I177 PolarHBondContact O-N 2.82Å; I177-I180 HydrophobicContact CB-CD1 4.34Å; I177-I180 HydrophobicContact CB-CG1 4.36Å; I177-I180 HydrophobicContact CG2-CD1 4.22Å; I177-I180 HydrophobicContact CG2-CG1 3.72Å; I177-Y193 VanDerWaalsContact CD1-CB 3.44Å |
| 178 | S | 92 | Very high | 92.6 | Very high | 69 Ų | 69 | 74.6 Ų | 74.6 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 155.7 | -177.1 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | A159 N160 | A159-S178 CarbonylContact O-C 3.6Å; A159-S178 WeakPolarHBondContact O-CA 3.44Å; N160-S178 WeakPolarHBondContact OD1-CA 3.21Å; N160-S178 WeakPolarHBondContact OD1-CB 3.28Å |
| 179 | N | 83.9 | Confident | 92.9 | Very high | 143 Ų | 143 | 73.4 Ų | 73.4 | 77% | 0.765 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 59.1 | 176.7 | -64.1 | -36.4 | 0 | 0 | 0 | 112.3 | A159 | A159-N179 PolarHBondContact O-N 2.9Å |
| 180 | I | 83.6 | Confident | 93.1 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 18% | 0.179 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -70.3 | -169.2 | -66.8 | 153 | 0 | 0 | 0 | 110 | V158 I161 I177 I191 | V158-I180 HydrophobicContact CB-CB 4.36Å; V158-I180 HydrophobicContact CG1-CB 4.21Å; V158-I180 HydrophobicContact CG1-CD1 3.82Å; V158-I180 PolarHBondContact O-N 3.18Å; V158-I180 VanDerWaalsContact O-N 3.15Å; I161-I180 HydrophobicContact CB-CD1 3.69Å; I161-I180 HydrophobicContact CD1-CD1 3.39Å; I161-I180 HydrophobicContact CG1-CD1 3.27Å; I177-I180 HydrophobicContact CB-CD1 4.34Å; I177-I180 HydrophobicContact CB-CG1 4.36Å; I177-I180 HydrophobicContact CG2-CD1 4.22Å; I177-I180 HydrophobicContact CG2-CG1 3.72Å; I180-I191 HydrophobicContact CG2-CD1 3.68Å; I180-I191 HydrophobicContact CG2-CG1 4.02Å; I180-I191 HydrophobicContact CG2-CG2 3.94Å |
| 181 | T | 91.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 68 Ų | 68 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 164.6 | -179 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | V158 | V158-T181 WeakPolarHBondContact CB-O 3.27Å; V158-T181 PolarHBondContact N-O 2.85Å |
| 182 | T | 93.5 | Very high | 93 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.2 | 167.8 | 65.2 | 0 | 0 | 0 | 0 | 109.1 | D157 K189 | D157-T182 WeakPolarHBondContact OD1-CB 3.47Å; D157-T182 WeakPolarHBondContact OD1-CG2 3.41Å; T182-K189 WeakPolarHBondContact O-CE 3.29Å; T182-K189 PolarHBondContact O-NZ 3.16Å |
| 183 | I | 94.9 | Very high | 93 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.4 | 178.2 | -53.9 | 176.9 | 0 | 0 | 0 | 108 | I148 N150 S155 V156 V158 D187 K189 | I148-I183 HydrophobicContact CB-CD1 3.74Å; I148-I183 HydrophobicContact CG2-CD1 3.47Å; I148-I183 VanDerWaalsContact CG2-CD1 3.47Å; N150-I183 HydrophobicContact CB-CB 4.2Å; N150-I183 HydrophobicContact CB-CG2 3.6Å; S155-I183 VanDerWaalsContact CA-O 3.3Å; S155-I183 WeakPolarHBondContact CA-O 3.06Å; V156-I183 PolarHBondContact N-O 3.03Å; V156-I183 PolarHBondContact O-N 3.08Å; V158-I183 HydrophobicContact CG2-CD1 3.68Å; V158-I183 HydrophobicContact CG2-CG1 3.98Å; I183-D187 HydrophobicContact CG2-CB 4.24Å; I183-D187 WeakPolarHBondContact CG2-O 3.38Å; I183-K189 HydrophobicContact CD1-CB 4.43Å; I183-K189 HydrophobicContact CG1-CB 4.25Å; I183-K189 HydrophobicContact CG1-CD 4.14Å; I183-K189 HydrophobicContact CG1-CG 4.27Å; I183-K189 HydrophobicContact CG2-CG 4.39Å |
| 184 | S | 94.9 | Very high | 92.9 | Very high | 54 Ų | 54 | 71.1 Ų | 71.1 | 38% | 0.378 | 37% | 0.368 | S | S | . | . | trans | -65.6 | 164 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | N150 L186 D187 | N150-S184 PolarHBondContact ND2-O 2.92Å; S184-L186 PolarHBondContact O-N 2.92Å; S184-D187 WeakPolarHBondContact O-CB 3.25Å; S184-D187 PolarHBondContact O-N 2.8Å | ||
| 185 | P | 94.2 | Very high | 93 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 37% | 0.37 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 136.3 | 173.2 | -22.8 | 34.2 | 0 | 0 | 0 | 111.6 | N152 D187 | N152-P185 WeakPolarHBondContact O-CA 3.45Å; P185-D187 PolarHBondContact O-N 2.94Å; P185-D187 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 93.1 | Very high | 93 | Very high | 103 Ų | 103 | 66.1 Ų | 66.1 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 24.5 | 178.2 | -56.7 | 174.4 | 0 | 0 | 0 | 114.5 | N150 N151 N152 Y153 S184 | N150-L186 CarbonylContact O-C 3.59Å; N150-L186 WeakPolarHBondContact O-CA 3.18Å; N150-L186 PolarHBondContact O-N 3.1Å; N150-L186 VanDerWaalsContact O-N 3.1Å; N151-L186 WeakPolarHBondContact O-CD2 3.42Å; N152-L186 PolarHBondContact O-N 2.84Å; Y153-L186 HydrophobicContact CD1-CD1 3.92Å; Y153-L186 HydrophobicContact CD1-CD2 4.46Å; Y153-L186 HydrophobicContact CD1-CG 4.28Å; Y153-L186 HydrophobicContact CE1-CD1 3.8Å; Y153-L186 HydrophobicContact CE1-CD2 4.34Å; Y153-L186 HydrophobicContact CE1-CG 4.43Å; S184-L186 PolarHBondContact O-N 2.92Å |
| 187 | D | 94.9 | Very high | 93 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 34% | 0.337 | 32% | 0.322 | S | S | . | . | trans | -111 | 159.4 | -175.5 | -167.3 | 23 | 0 | 0 | 0 | 111.6 | N150 I183 S184 P185 | N150-D187 PolarHBondContact N-O 2.94Å; N150-D187 PolarHBondContact O-N 3.38Å; I183-D187 HydrophobicContact CG2-CB 4.24Å; I183-D187 WeakPolarHBondContact CG2-O 3.38Å; S184-D187 WeakPolarHBondContact O-CB 3.25Å; S184-D187 PolarHBondContact O-N 2.8Å; P185-D187 PolarHBondContact O-N 2.94Å; P185-D187 VanDerWaalsContact O-N 3.11Å | ||
| 188 | M | 94.6 | Very high | 93 | Very high | 94 Ų | 94 | 58.6 Ų | 58.6 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.1 | 177.5 | -177.6 | -167.5 | 77.2 | 0 | 0 | 109.8 | N147 I148 T149 | N147-M188 HydrophobicContact CB-CG 4.42Å; N147-M188 HydrophobicContact CB-SD 4.08Å; I148-M188 WeakPolarHBondContact O-CA 3.44Å; T149-M188 HydrophobicContact CG2-CB 4.34Å; T149-M188 WeakPolarHBondContact OG1-CG 3.31Å |
| 189 | K | 93.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.4 | 171.5 | -71.4 | -166.1 | 176 | -179.4 | 0 | 112 | I148 T182 I183 | I148-K189 PolarHBondContact N-O 3.16Å; I148-K189 PolarHBondContact O-N 2.79Å; T182-K189 WeakPolarHBondContact O-CE 3.29Å; T182-K189 PolarHBondContact O-NZ 3.16Å; I183-K189 HydrophobicContact CD1-CB 4.43Å; I183-K189 HydrophobicContact CG1-CB 4.25Å; I183-K189 HydrophobicContact CG1-CD 4.14Å; I183-K189 HydrophobicContact CG1-CG 4.27Å; I183-K189 HydrophobicContact CG2-CG 4.39Å |
| 190 | Q | 93.6 | Very high | 93.5 | Very high | 113 Ų | 113 | 49.2 Ų | 49.2 | 53% | 0.528 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.8 | 170.4 | -173.5 | 170.6 | 3.8 | 0 | 0 | 109.7 | L146 N147 | L146-Q190 CarbonylContact O-C 3.58Å; L146-Q190 VanDerWaalsContact O-CA 3.28Å; L146-Q190 WeakPolarHBondContact O-CA 3.44Å; N147-Q190 VanDerWaalsContact OD1-CB 3.27Å; N147-Q190 WeakPolarHBondContact OD1-CB 3.43Å; N147-Q190 VanDerWaalsContact OD1-CG 3.23Å; N147-Q190 WeakPolarHBondContact OD1-CG 3.35Å |
| 191 | I | 92.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.9 | -178.9 | -66.9 | 159.2 | 0 | 0 | 0 | 108.9 | L146 I148 I161 I180 | L146-I191 PolarHBondContact N-O 2.86Å; L146-I191 PolarHBondContact O-N 3.11Å; I148-I191 HydrophobicContact CD1-CD1 3.67Å; I148-I191 HydrophobicContact CG1-CD1 4.37Å; I161-I191 HydrophobicContact CD1-CD1 4.33Å; I161-I191 HydrophobicContact CD1-CG2 3.91Å; I180-I191 HydrophobicContact CG2-CD1 3.68Å; I180-I191 HydrophobicContact CG2-CG1 4.02Å; I180-I191 HydrophobicContact CG2-CG2 3.94Å |
| 192 | D | 93.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 59.8 Ų | 59.8 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 134.9 | 174.3 | -64.8 | -19.7 | 0 | 0 | 0 | 110.2 | K125 N144 S145 | K125-D192 IonicContact NZ-OD2 2.63Å; K125-D192 PolarHBondContact NZ-OD2 3.17Å; N144-D192 CarbonylContact O-C 3.6Å; N144-D192 VanDerWaalsContact O-CA 3.3Å; N144-D192 WeakPolarHBondContact O-CA 3.2Å; S145-D192 WeakPolarHBondContact CB-OD1 3.3Å; S145-D192 PolarHBondContact OG-OD1 2.85Å |
| 193 | Y | 92.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.6 | 176.9 | 66.7 | -74.9 | 0 | 0 | 0 | 110.5 | T143 N144 L146 A163 I177 V195 I226 | T143-Y193 WeakPolarHBondContact CA-O 3.49Å; N144-Y193 HydrophobicContact CB-CD1 4.09Å; N144-Y193 HydrophobicContact CB-CD2 4.46Å; N144-Y193 HydrophobicContact CB-CE1 3.34Å; N144-Y193 HydrophobicContact CB-CE2 3.84Å; N144-Y193 WeakPolarHBondContact CB-OH 3.19Å; N144-Y193 PolarHBondContact N-O 2.91Å; N144-Y193 WeakPolarHBondContact O-CD1 3.5Å; N144-Y193 PolarHBondContact O-N 3.15Å; L146-Y193 HydrophobicContact CB-CE1 4.41Å; L146-Y193 HydrophobicContact CD1-CD1 3.5Å; L146-Y193 HydrophobicContact CD1-CE1 3.1Å; L146-Y193 HydrophobicContact CG-CD1 4.14Å; L146-Y193 HydrophobicContact CG-CE1 3.47Å; L146-Y193 VanDerWaalsContact CG-CE1 3.47Å; A163-Y193 HydrophobicContact CB-CD2 3.77Å; A163-Y193 HydrophobicContact CB-CE2 3.46Å; A163-Y193 VanDerWaalsContact CB-CE2 3.46Å; I177-Y193 VanDerWaalsContact CD1-CB 3.44Å; Y193-V195 HydrophobicContact CD2-CG2 3.84Å; Y193-V195 HydrophobicContact CE2-CG2 3.76Å; Y193-I226 WeakPolarHBondContact OH-CD1 3.22Å |
| 194 | M | 94.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.9 | 178.9 | -175.5 | -172.1 | 71.3 | 0 | 0 | 110 | N141 V142 | N141-M194 HydrophobicContact CB-CG 4.22Å; N141-M194 HydrophobicContact CB-SD 3.86Å; V142-M194 WeakPolarHBondContact O-CA 3.4Å |
| 195 | V | 96.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 109.5 | 173.8 | -163.7 | 0 | 0 | 0 | 0 | 109.4 | V142 A163 V165 T175 Y193 T197 | V142-V195 PolarHBondContact N-O 2.81Å; V142-V195 VanDerWaalsContact N-O 3.1Å; V142-V195 PolarHBondContact O-N 2.8Å; A163-V195 HydrophobicContact CB-CG2 3.8Å; V165-V195 HydrophobicContact CB-CG1 4.48Å; V165-V195 HydrophobicContact CG2-CB 3.86Å; V165-V195 HydrophobicContact CG2-CG1 3.66Å; V165-V195 HydrophobicContact CG2-CG2 4.13Å; T175-V195 HydrophobicContact CG2-CB 4.21Å; T175-V195 HydrophobicContact CG2-CG1 4.11Å; T175-V195 HydrophobicContact CG2-CG2 3.75Å; Y193-V195 HydrophobicContact CD2-CG2 3.84Å; Y193-V195 HydrophobicContact CE2-CG2 3.76Å; V195-T197 PolarHBondContact O-N 3.38Å; V195-T197 PolarHBondContact O-OG1 2.96Å |
| 196 | P | 95.9 | Very high | 92.8 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.5 | 168.5 | 30.2 | -32 | 0 | 0 | 0 | 108.5 | G173 | G173-P196 WeakPolarHBondContact CA-O 3.36Å |
| 197 | T | 95.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.7 | -170.9 | -59.1 | 0 | 0 | 0 | 0 | 108.3 | Y139 L140 V165 I172 V195 | Y139-T197 WeakPolarHBondContact CA-O 3.48Å; L140-T197 HydrophobicContact CB-CG2 4.46Å; L140-T197 PolarHBondContact N-O 2.9Å; L140-T197 WeakPolarHBondContact O-CA 3.33Å; L140-T197 VanDerWaalsContact O-CB 3.22Å; L140-T197 WeakPolarHBondContact O-CB 3.35Å; L140-T197 PolarHBondContact O-N 2.8Å; V165-T197 HydrophobicContact CB-CG2 4.5Å; V165-T197 HydrophobicContact CG1-CG2 4.14Å; I172-T197 HydrophobicContact CB-CG2 3.84Å; I172-T197 HydrophobicContact CD1-CG2 3.31Å; I172-T197 HydrophobicContact CG1-CG2 3.48Å; I172-T197 VanDerWaalsContact CG1-CG2 3.48Å; I172-T197 CarbonylContact O-C 3.46Å; I172-T197 WeakPolarHBondContact O-CA 3.49Å; V195-T197 PolarHBondContact O-N 3.38Å; V195-T197 PolarHBondContact O-OG1 2.96Å |
| 198 | T | 95 | Very high | 92.7 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.6 | -176.5 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | I137 Y139 I172 A200 | I137-T198 HydrophobicContact CG2-CG2 3.6Å; Y139-T198 HydrophobicContact CD1-CG2 3.86Å; Y139-T198 HydrophobicContact CE1-CG2 3.68Å; I172-T198 PolarHBondContact O-N 2.72Å; T198-A200 HydrophobicContact CG2-CB 4.17Å |
| 199 | I | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 108.8 | 173.6 | -56.9 | 173.8 | 0 | 0 | 0 | 107.2 | V138 L140 I172 M203 M206 I220 | V138-I199 HydrophobicContact CB-CB 4.31Å; V138-I199 PolarHBondContact N-O 2.88Å; V138-I199 VanDerWaalsContact N-O 3.15Å; V138-I199 PolarHBondContact O-N 3.33Å; L140-I199 HydrophobicContact CD1-CD1 3.7Å; L140-I199 HydrophobicContact CD1-CG1 4.44Å; I172-I199 HydrophobicContact CD1-CG1 4.13Å; I199-M203 HydrophobicContact CG2-CB 3.54Å; I199-M203 WeakPolarHBondContact CG2-O 3.33Å; I199-M206 HydrophobicContact CD1-CG 4.4Å; I199-M206 HydrophobicContact CG2-CB 3.75Å; I199-M206 HydrophobicContact CG2-CG 4.32Å; I199-I220 HydrophobicContact CD1-CD1 3.68Å |
| 200 | A | 91.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 12% | 0.116 | 27% | 0.268 | C | S | . | . | trans | -144.6 | -178.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I137 T198 E202 M203 | I137-A200 HydrophobicContact CD1-CB 4.23Å; I137-A200 HydrophobicContact CG1-CB 3.97Å; I137-A200 HydrophobicContact CG2-CB 4.31Å; T198-A200 HydrophobicContact CG2-CB 4.17Å; A200-E202 PolarHBondContact O-N 3.36Å; A200-M203 PolarHBondContact O-N 2.84Å | ||
| 201 | D | 89.1 | Confident | 92.5 | Very high | 142 Ų | 142 | 50.5 Ų | 50.5 | 76% | 0.759 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | 56.8 | -118.1 | 172.7 | -54 | -41.7 | 0 | 0 | 0 | 112.8 | M203 S204 | D201-M203 PolarHBondContact O-N 3.33Å; D201-S204 PolarHBondContact N-OG 2.92Å; D201-S204 VanDerWaalsContact O-CB 3.29Å; D201-S204 WeakPolarHBondContact O-CB 3.41Å; D201-S204 PolarHBondContact O-N 3.43Å; D201-S204 PolarHBondContact O-OG 3.49Å |
| 202 | E | 87.9 | Confident | 92.5 | Very high | 172 Ų | 172 | 53.2 Ų | 53.2 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -60.4 | -18.8 | 179.6 | -62.5 | -178.3 | 176.6 | 0 | 0 | 113 | A200 Y205 | A200-E202 PolarHBondContact O-N 3.36Å; E202-Y205 WeakPolarHBondContact O-CD1 3.37Å; E202-Y205 VanDerWaalsContact O-CE1 3.26Å; E202-Y205 WeakPolarHBondContact O-CE1 3.15Å |
| 203 | M | 90.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 59 Ų | 59 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -102 | 11.8 | 178.6 | -60.9 | 167.9 | -74.9 | 0 | 0 | 113 | F167 T170 I172 I199 A200 D201 Y205 M206 | F167-M203 HydrophobicContact CB-SD 4.42Å; F167-M203 HydrophobicContact CD1-CG 4.36Å; F167-M203 HydrophobicContact CD1-SD 3.71Å; T170-M203 HydrophobicContact CG2-CE 3.64Å; T170-M203 HydrophobicContact CG2-SD 4.36Å; I172-M203 HydrophobicContact CG2-CE 3.43Å; I172-M203 VanDerWaalsContact CG2-CE 3.43Å; I172-M203 HydrophobicContact CG2-SD 3.71Å; I199-M203 HydrophobicContact CG2-CB 3.54Å; I199-M203 WeakPolarHBondContact CG2-O 3.33Å; A200-M203 PolarHBondContact O-N 2.84Å; D201-M203 PolarHBondContact O-N 3.33Å; M203-Y205 PolarHBondContact O-N 2.76Å; M203-Y205 VanDerWaalsContact O-N 3.12Å; M203-M206 WeakPolarHBondContact O-CB 3.45Å; M203-M206 PolarHBondContact O-N 3.16Å |
| 204 | S | 88.4 | Confident | 91.8 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | D201 M206 Y207 | D201-S204 PolarHBondContact N-OG 2.92Å; D201-S204 VanDerWaalsContact O-CB 3.29Å; D201-S204 WeakPolarHBondContact O-CB 3.41Å; D201-S204 PolarHBondContact O-N 3.43Å; D201-S204 PolarHBondContact O-OG 3.49Å; S204-M206 PolarHBondContact O-N 3.47Å; S204-M206 VanDerWaalsContact O-N 3.16Å; S204-Y207 VanDerWaalsContact O-CB 3.23Å; S204-Y207 WeakPolarHBondContact O-CB 3.4Å; S204-Y207 PolarHBondContact O-N 2.9Å |
| 205 | Y | 90.1 | Very high | 91.4 | Very high | 136 Ų | 136 | 62.7 Ų | 62.7 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -22.4 | 173.2 | 67.1 | -93.9 | 0 | 0 | 0 | 112.8 | E202 M203 Y207 D208 | E202-Y205 WeakPolarHBondContact O-CD1 3.37Å; E202-Y205 VanDerWaalsContact O-CE1 3.26Å; E202-Y205 WeakPolarHBondContact O-CE1 3.15Å; M203-Y205 PolarHBondContact O-N 2.76Å; M203-Y205 VanDerWaalsContact O-N 3.12Å; Y205-Y207 PolarHBondContact O-N 3.26Å; Y205-D208 PolarHBondContact O-N 3.3Å |
| 206 | M | 92.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.8 | -25.1 | 176.2 | -149.5 | 63.6 | 60.4 | 0 | 0 | 112.1 | F167 I199 M203 S204 D208 Y209 C210 I220 | F167-M206 HydrophobicContact CD1-CE 4.36Å; F167-M206 HydrophobicContact CE1-CE 3.31Å; F167-M206 HydrophobicContact CE2-CE 4.23Å; F167-M206 HydrophobicContact CZ-CE 3.23Å; F167-M206 HydrophobicContact CZ-SD 4.34Å; I199-M206 HydrophobicContact CD1-CG 4.4Å; I199-M206 HydrophobicContact CG2-CB 3.75Å; I199-M206 HydrophobicContact CG2-CG 4.32Å; M203-M206 WeakPolarHBondContact O-CB 3.45Å; M203-M206 PolarHBondContact O-N 3.16Å; S204-M206 PolarHBondContact O-N 3.47Å; S204-M206 VanDerWaalsContact O-N 3.16Å; M206-D208 VanDerWaalsContact C-N 3.32Å; M206-D208 PolarHBondContact O-N 3.41Å; M206-Y209 PolarHBondContact O-N 3.37Å; M206-Y209 HydrophobicContact SD-CD1 4.06Å; M206-C210 WeakPolarHBondContact O-CB 3.04Å; M206-C210 PolarHBondContact O-N 2.86Å; M206-C210 PolarHBondContact O-SG 3.49Å; M206-I220 HydrophobicContact CG-CG2 4.48Å; M206-I220 HydrophobicContact SD-CG2 4.07Å |
| 207 | Y | 93.6 | Very high | 90.2 | Very high | 17 Ų | 17 | 73 Ų | 73 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 175.5 | 178 | -83.3 | 0 | 0 | 0 | 111.6 | Y131 Q133 R136 V138 S204 Y205 Y209 C210 T211 | Y131-Y207 HydrophobicContact CD1-CE2 4.4Å; Q133-Y207 WeakPolarHBondContact CA-OH 3.28Å; Q133-Y207 WeakPolarHBondContact CB-OH 3.21Å; Q133-Y207 WeakPolarHBondContact CG-OH 3.3Å; R136-Y207 HydrophobicContact CB-CD1 4.44Å; R136-Y207 HydrophobicContact CB-CD2 4.46Å; R136-Y207 HydrophobicContact CB-CG 4.08Å; R136-Y207 WeakPolarHBondContact O-CB 3.39Å; V138-Y207 HydrophobicContact CG2-CD2 4.16Å; S204-Y207 VanDerWaalsContact O-CB 3.23Å; S204-Y207 WeakPolarHBondContact O-CB 3.4Å; S204-Y207 PolarHBondContact O-N 2.9Å; Y205-Y207 PolarHBondContact O-N 3.26Å; Y207-Y209 VanDerWaalsContact C-N 3.29Å; Y207-Y209 PolarHBondContact O-N 3.29Å; Y207-C210 PolarHBondContact O-N 2.93Å; Y207-T211 HydrophobicContact CD1-CG2 4.41Å; Y207-T211 HydrophobicContact CD2-CG2 4.45Å; Y207-T211 HydrophobicContact CE1-CG2 4.03Å; Y207-T211 HydrophobicContact CE2-CG2 4.1Å; Y207-T211 WeakPolarHBondContact O-CB 3.47Å; Y207-T211 WeakPolarHBondContact O-CG2 3.29Å; Y207-T211 PolarHBondContact O-N 3.32Å; Y207-T211 PolarHBondContact O-OG1 3.43Å |
| 208 | D | 92.3 | Very high | 89.9 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 45% | 0.449 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | -179.9 | -68.8 | -42.8 | 0 | 0 | 0 | 111.1 | R136 Y205 M206 L212 | R136-D208 IonicContact CZ-OD1 3.59Å; R136-D208 IonicContact NH1-OD1 2.65Å; R136-D208 PolarHBondContact NH1-OD1 2.98Å; Y205-D208 PolarHBondContact O-N 3.3Å; M206-D208 VanDerWaalsContact C-N 3.32Å; M206-D208 PolarHBondContact O-N 3.41Å; D208-L212 WeakPolarHBondContact O-CB 3.49Å; D208-L212 PolarHBondContact O-N 2.88Å |
| 209 | Y | 92.6 | Very high | 89.7 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -55.2 | 173 | 177 | -105.6 | 0 | 0 | 0 | 111.4 | M206 Y207 T211 L212 I215 H218 N219 I220 | M206-Y209 PolarHBondContact O-N 3.37Å; M206-Y209 HydrophobicContact SD-CD1 4.06Å; Y207-Y209 VanDerWaalsContact C-N 3.29Å; Y207-Y209 PolarHBondContact O-N 3.29Å; Y209-T211 PolarHBondContact O-N 2.93Å; Y209-L212 VanDerWaalsContact O-CB 3.22Å; Y209-L212 WeakPolarHBondContact O-CB 3.26Å; Y209-L212 PolarHBondContact O-N 3.5Å; Y209-L212 VanDerWaalsContact O-N 3.1Å; Y209-I215 HydrophobicContact CE2-CD1 4.2Å; Y209-H218 HydrophobicContact CD1-CB 4.39Å; Y209-H218 HydrophobicContact CE1-CB 3.97Å; Y209-H218 PolarHBondContact O-CD2 2.85Å; Y209-H218 PolarHBondContact O-NE2 3.29Å; Y209-N219 PolarHBondContact OH-O 2.95Å; Y209-I220 HydrophobicContact CD1-CG2 4.37Å; Y209-I220 HydrophobicContact CE1-CG2 4.03Å |
| 210 | C | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.7 | -25.3 | -175.6 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | Y131 V138 M206 Y207 C249 G250 | Y131-C210 HydrophobicContact CE1-CB 3.99Å; Y131-C210 PolarHBondContact OH-O 3.41Å; V138-C210 HydrophobicContact CG2-CB 4.24Å; M206-C210 WeakPolarHBondContact O-CB 3.04Å; M206-C210 PolarHBondContact O-N 2.86Å; M206-C210 PolarHBondContact O-SG 3.49Å; Y207-C210 PolarHBondContact O-N 2.93Å; C210-C249 HydrophobicContact CB-CB 3.97Å; C210-C249 WeakPolarHBondContact CB-O 3.43Å; C210-C249 WeakPolarHBondContact CB-SG 3.18Å; C210-C249 WeakPolarHBondContact SG-CB 3.26Å; C210-C249 CovalentContact SG-SG 2.03Å; C210-C249 PolarHBondContact SG-SG 3.18Å; C210-G250 WeakPolarHBondContact O-CA 3.4Å |
| 211 | T | 92.6 | Very high | 89.7 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 30% | 0.301 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.5 | 178.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | Y131 Y207 Y209 Q213 | Y131-T211 HydrophobicContact CD1-CG2 3.85Å; Y131-T211 HydrophobicContact CE1-CG2 3.84Å; Y131-T211 HydrophobicContact CG-CG2 4.27Å; Y207-T211 HydrophobicContact CD1-CG2 4.41Å; Y207-T211 HydrophobicContact CD2-CG2 4.45Å; Y207-T211 HydrophobicContact CE1-CG2 4.03Å; Y207-T211 HydrophobicContact CE2-CG2 4.1Å; Y207-T211 WeakPolarHBondContact O-CB 3.47Å; Y207-T211 WeakPolarHBondContact O-CG2 3.29Å; Y207-T211 PolarHBondContact O-N 3.32Å; Y207-T211 PolarHBondContact O-OG1 3.43Å; Y209-T211 PolarHBondContact O-N 2.93Å; T211-Q213 PolarHBondContact O-N 2.92Å |
| 212 | L | 92 | Very high | 89.9 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 39% | 0.387 | 36% | 0.355 | S | S | . | . | trans | -69.8 | 112.1 | -173.6 | -167 | 65.9 | 0 | 0 | 0 | 111.7 | D208 Y209 S214 I215 H218 | D208-L212 WeakPolarHBondContact O-CB 3.49Å; D208-L212 PolarHBondContact O-N 2.88Å; Y209-L212 VanDerWaalsContact O-CB 3.22Å; Y209-L212 WeakPolarHBondContact O-CB 3.26Å; Y209-L212 PolarHBondContact O-N 3.5Å; Y209-L212 VanDerWaalsContact O-N 3.1Å; L212-S214 VanDerWaalsContact C-N 3.25Å; L212-S214 WeakPolarHBondContact CD2-OG 3.48Å; L212-S214 VanDerWaalsContact CG-OG 3.3Å; L212-S214 WeakPolarHBondContact CG-OG 3.47Å; L212-S214 PolarHBondContact O-N 3.35Å; L212-I215 HydrophobicContact CD2-CD1 3.87Å; L212-I215 HydrophobicContact CD2-CG1 4.09Å; L212-I215 PolarHBondContact O-N 3.31Å; L212-I215 VanDerWaalsContact O-O 3.08Å; L212-H218 PolarHBondContact O-CE1 3.47Å; L212-H218 PolarHBondContact O-NE2 3.21Å | ||
| 213 | Q | 86.7 | Confident | 90.2 | Very high | 192 Ų | 192 | 63.7 Ų | 63.7 | 90% | 0.897 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.5 | -176.5 | -64.1 | -177.8 | 3 | 0 | 0 | 114.7 | T211 I215 | T211-Q213 PolarHBondContact O-N 2.92Å; Q213-I215 PolarHBondContact O-N 2.95Å |
| 214 | S | 86.1 | Confident | 90.3 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.7 | 179.1 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | L212 | L212-S214 VanDerWaalsContact C-N 3.25Å; L212-S214 WeakPolarHBondContact CD2-OG 3.48Å; L212-S214 VanDerWaalsContact CG-OG 3.3Å; L212-S214 WeakPolarHBondContact CG-OG 3.47Å; L212-S214 PolarHBondContact O-N 3.35Å |
| 215 | I | 84.9 | Confident | 90.6 | Very high | 67 Ų | 67 | 62.8 Ų | 62.8 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | trans | -113.1 | 132.3 | 179.5 | -53.8 | 177.4 | 0 | 0 | 0 | 108 | Y209 L212 Q213 V217 H218 | Y209-I215 HydrophobicContact CE2-CD1 4.2Å; L212-I215 HydrophobicContact CD2-CD1 3.87Å; L212-I215 HydrophobicContact CD2-CG1 4.09Å; L212-I215 PolarHBondContact O-N 3.31Å; L212-I215 VanDerWaalsContact O-O 3.08Å; Q213-I215 PolarHBondContact O-N 2.95Å; I215-V217 WeakPolarHBondContact CG2-O 3.46Å; I215-H218 PolarHBondContact O-CE1 3.37Å; I215-H218 PolarHBondContact O-NE2 2.93Å | ||
| 216 | K | 80.9 | Confident | 90.8 | Very high | 201 Ų | 201 | 56.4 Ų | 56.4 | 87% | 0.874 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -86.1 | -19.4 | -179.7 | -68.9 | -172.5 | 178.3 | -177.4 | 0 | 114.1 | ||
| 217 | V | 85.2 | Confident | 91 | Very high | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | trans | -134.1 | 120.4 | -174.6 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | I215 N219 | I215-V217 WeakPolarHBondContact CG2-O 3.46Å; V217-N219 VanDerWaalsContact CG1-ND2 3.34Å; V217-N219 WeakPolarHBondContact CG1-ND2 3.09Å | ||
| 218 | H | 90.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.06 | 29% | 0.292 | C | S | . | . | trans | -112.3 | 63.1 | -174.2 | -53.7 | 91.1 | 0 | 0 | 0 | 110 | Y209 L212 I215 I220 D248 C249 G250 | Y209-H218 HydrophobicContact CD1-CB 4.39Å; Y209-H218 HydrophobicContact CE1-CB 3.97Å; Y209-H218 PolarHBondContact O-CD2 2.85Å; Y209-H218 PolarHBondContact O-NE2 3.29Å; L212-H218 PolarHBondContact O-CE1 3.47Å; L212-H218 PolarHBondContact O-NE2 3.21Å; I215-H218 PolarHBondContact O-CE1 3.37Å; I215-H218 PolarHBondContact O-NE2 2.93Å; H218-I220 PolarHBondContact O-N 2.96Å; H218-D248 WeakPolarHBondContact CA-OD1 3.18Å; H218-D248 PolarHBondContact N-OD1 3.1Å; H218-C249 PolarHBondContact O-N 3.41Å; H218-C249 PolarHBondContact O-SG 3.44Å; H218-G250 VanDerWaalsContact ND1-CA 3.35Å; H218-G250 WeakPolarHBondContact ND1-CA 3.39Å | ||
| 219 | N | 90.9 | Very high | 91.2 | Very high | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.4 | -179.4 | -72.1 | -28.4 | 0 | 0 | 0 | 111.1 | Y209 V217 Y246 V247 | Y209-N219 PolarHBondContact OH-O 2.95Å; V217-N219 VanDerWaalsContact CG1-ND2 3.34Å; V217-N219 WeakPolarHBondContact CG1-ND2 3.09Å; N219-Y246 HydrophobicContact CB-CD1 4.47Å; N219-V247 WeakPolarHBondContact CA-O 3.38Å |
| 220 | I | 92.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147 | 169.5 | 59.6 | 166.7 | 0 | 0 | 0 | 109.5 | L140 F167 I199 M206 Y209 H218 V222 Y246 V247 C249 | L140-I220 HydrophobicContact CD1-CD1 3.94Å; F167-I220 HydrophobicContact CE2-CB 4.07Å; I199-I220 HydrophobicContact CD1-CD1 3.68Å; M206-I220 HydrophobicContact CG-CG2 4.48Å; M206-I220 HydrophobicContact SD-CG2 4.07Å; Y209-I220 HydrophobicContact CD1-CG2 4.37Å; Y209-I220 HydrophobicContact CE1-CG2 4.03Å; H218-I220 PolarHBondContact O-N 2.96Å; I220-V222 HydrophobicContact CD1-CG1 4.07Å; I220-V222 HydrophobicContact CG1-CG1 4.36Å; I220-Y246 WeakPolarHBondContact O-CA 3.42Å; I220-V247 HydrophobicContact CG1-CB 4.35Å; I220-V247 VanDerWaalsContact CG1-O 3.27Å; I220-V247 WeakPolarHBondContact CG1-O 3.38Å; I220-V247 PolarHBondContact N-O 3.45Å; I220-V247 PolarHBondContact O-N 3.42Å; I220-C249 HydrophobicContact CD1-CB 4.22Å; I220-C249 HydrophobicContact CG1-CB 4.36Å |
| 221 | V | 92.5 | Very high | 91.3 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.9 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | F167 Y244 Q245 Y246 | F167-V221 VanDerWaalsContact CD2-O 3.26Å; F167-V221 WeakPolarHBondContact CD2-O 2.95Å; V221-Y244 HydrophobicContact CG1-CD1 4.14Å; V221-Q245 WeakPolarHBondContact CA-O 3.02Å; V221-Y246 HydrophobicContact CG2-CD1 3.6Å; V221-Y246 HydrophobicContact CG2-CE1 3.26Å; V221-Y246 HydrophobicContact CG2-CG 4.48Å |
| 222 | V | 93.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.6 | 172.7 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | V165 Q166 F167 I172 I220 Y244 Q245 V247 | V165-V222 HydrophobicContact CG1-CB 3.83Å; V165-V222 HydrophobicContact CG1-CG1 4.11Å; V165-V222 HydrophobicContact CG1-CG2 4.13Å; Q166-V222 CarbonylContact O-C 3.5Å; Q166-V222 WeakPolarHBondContact O-CA 3.47Å; F167-V222 HydrophobicContact CD2-CG1 4.35Å; I172-V222 HydrophobicContact CD1-CG1 4.14Å; I220-V222 HydrophobicContact CD1-CG1 4.07Å; I220-V222 HydrophobicContact CG1-CG1 4.36Å; V222-Y244 WeakPolarHBondContact O-CA 3.01Å; V222-Q245 PolarHBondContact N-O 3.38Å; V222-Q245 PolarHBondContact O-N 3.42Å; V222-V247 HydrophobicContact CG2-CB 4.44Å; V222-V247 HydrophobicContact CG2-CG2 3.69Å |
| 223 | M | 94 | Very high | 91.2 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119.9 | 168.5 | -171.9 | -176.1 | 83.8 | 0 | 0 | 108 | Q166 M243 Y244 | Q166-M223 HydrophobicContact CB-CB 4.35Å; Q166-M223 HydrophobicContact CB-CE 4.32Å; Q166-M223 HydrophobicContact CG-CE 4.11Å; Q166-M223 PolarHBondContact N-O 3.35Å; Q166-M223 PolarHBondContact O-N 2.84Å; M223-M243 CarbonylContact C-O 3.59Å; M223-M243 WeakPolarHBondContact CA-O 3.45Å; M223-Y244 HydrophobicContact CB-CD1 3.9Å; M223-Y244 HydrophobicContact CB-CE1 3.71Å; M223-Y244 HydrophobicContact CG-CD1 4.17Å; M223-Y244 HydrophobicContact CG-CE1 3.82Å; M223-Y244 HydrophobicContact SD-CE1 4.07Å |
| 224 | M | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144.5 | 169.8 | -65.5 | -169.5 | -61.1 | 0 | 0 | 109 | Y121 N144 R164 V165 E242 M243 Q245 | Y121-M224 HydrophobicContact CD2-CE 4.29Å; Y121-M224 HydrophobicContact CE1-CE 4.14Å; Y121-M224 HydrophobicContact CE2-CE 3.46Å; Y121-M224 VanDerWaalsContact CE2-CE 3.46Å; Y121-M224 WeakPolarHBondContact OH-CE 3.41Å; N144-M224 PolarHBondContact ND2-SD 3.25Å; N144-M224 VanDerWaalsContact ND2-SD 3.44Å; R164-M224 CarbonylContact O-C 3.57Å; R164-M224 WeakPolarHBondContact O-CA 3.32Å; V165-M224 HydrophobicContact CG2-CG 4.22Å; M224-E242 WeakPolarHBondContact O-CA 3.25Å; M224-M243 HydrophobicContact CB-CE 3.31Å; M224-M243 HydrophobicContact CB-CG 4.3Å; M224-M243 HydrophobicContact CB-SD 4.28Å; M224-M243 HydrophobicContact CE-CG 3.83Å; M224-M243 HydrophobicContact CE-SD 4.18Å; M224-M243 PolarHBondContact N-O 3.4Å; M224-M243 WeakPolarHBondContact O-CE 3.39Å; M224-M243 PolarHBondContact O-N 3.37Å; M224-M243 VanDerWaalsContact O-N 3.08Å; M224-Q245 HydrophobicContact CE-CB 4.28Å |
| 225 | Q | 95.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 116.4 | 172.7 | -180 | -177.8 | 43.5 | 0 | 0 | 107 | A163 R164 Q241 E242 | A163-Q225 CarbonylContact C-O 3.56Å; A163-Q225 WeakPolarHBondContact CA-O 3.47Å; R164-Q225 HydrophobicContact CB-CB 4.34Å; R164-Q225 PolarHBondContact N-O 3Å; R164-Q225 PolarHBondContact O-N 2.93Å; Q225-Q241 WeakPolarHBondContact CA-O 3.49Å; Q225-E242 HydrophobicContact CB-CG 4.08Å; Q225-E242 HydrophobicContact CG-CG 3.82Å; Q225-E242 PolarHBondContact NE2-OE1 3.28Å |
| 226 | I | 94.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.2 | -174.8 | -59.5 | 158.8 | 0 | 0 | 0 | 107.3 | Y121 L146 I161 T162 A163 Y193 V228 S240 Q241 M243 | Y121-I226 HydrophobicContact CD2-CD1 3.92Å; L146-I226 HydrophobicContact CD1-CD1 4.3Å; L146-I226 HydrophobicContact CD1-CG2 3.73Å; L146-I226 HydrophobicContact CD2-CD1 3.89Å; L146-I226 HydrophobicContact CD2-CG2 4.33Å; L146-I226 HydrophobicContact CG-CD1 4.41Å; I161-I226 HydrophobicContact CG2-CG2 4.24Å; T162-I226 CarbonylContact O-C 3.59Å; T162-I226 WeakPolarHBondContact O-CA 3.29Å; A163-I226 HydrophobicContact CB-CG1 4.38Å; Y193-I226 WeakPolarHBondContact OH-CD1 3.22Å; I226-V228 HydrophobicContact CG2-CG2 4.27Å; I226-S240 CarbonylContact O-C 3.58Å; I226-S240 WeakPolarHBondContact O-CA 3.37Å; I226-Q241 PolarHBondContact N-O 3.3Å; I226-Q241 PolarHBondContact O-N 2.93Å; I226-M243 HydrophobicContact CD1-CE 3.54Å; I226-M243 HydrophobicContact CD1-SD 3.62Å; I226-M243 HydrophobicContact CG1-CE 3.87Å |
| 227 | T | 95.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 114.6 | 173.9 | -50 | 0 | 0 | 0 | 0 | 108.2 | I161 T162 Q238 V239 | I161-T227 WeakPolarHBondContact CA-O 3.28Å; T162-T227 PolarHBondContact N-O 2.88Å; T162-T227 PolarHBondContact O-N 2.79Å; T227-Q238 HydrophobicContact CG2-CB 4.3Å; T227-V239 CarbonylContact C-O 3.59Å; T227-V239 WeakPolarHBondContact CA-O 3.39Å |
| 228 | V | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.1 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V119 I148 V158 I161 I226 T230 Q238 V239 | V119-V228 HydrophobicContact CB-CG2 4.45Å; V119-V228 HydrophobicContact CG1-CG2 3.78Å; V119-V228 HydrophobicContact CG2-CB 4.04Å; V119-V228 HydrophobicContact CG2-CG1 4.48Å; V119-V228 HydrophobicContact CG2-CG2 3.81Å; I148-V228 HydrophobicContact CD1-CG1 3.81Å; I148-V228 HydrophobicContact CD1-CG2 4.24Å; V158-V228 HydrophobicContact CG1-CG1 4.12Å; I161-V228 HydrophobicContact CG1-CG1 4.35Å; I161-V228 HydrophobicContact CG1-CG2 4.25Å; I226-V228 HydrophobicContact CG2-CG2 4.27Å; V228-T230 HydrophobicContact CG1-CG2 4.02Å; V228-Q238 WeakPolarHBondContact O-CA 3.35Å; V228-V239 PolarHBondContact N-O 2.75Å; V228-V239 PolarHBondContact O-N 2.85Å |
| 229 | T | 95.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.5 | 172.6 | -52.2 | 0 | 0 | 0 | 0 | 108.9 | A159 N160 E237 Q238 | A159-T229 PolarHBondContact N-O 3.41Å; N160-T229 PolarHBondContact N-O 3.34Å; N160-T229 PolarHBondContact O-N 2.8Å; T229-E237 CarbonylContact C-O 3.48Å; T229-E237 WeakPolarHBondContact CA-O 3.32Å; T229-Q238 HydrophobicContact CG2-CG 4.02Å |
| 230 | T | 93.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.9 | 177.5 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | I117 V156 D157 V158 V228 A236 E237 | I117-T230 HydrophobicContact CD1-CG2 4.04Å; I117-T230 VanDerWaalsContact CD1-OG1 3.25Å; I117-T230 WeakPolarHBondContact CD1-OG1 3.14Å; I117-T230 HydrophobicContact CG2-CG2 4.43Å; V156-T230 HydrophobicContact CG1-CG2 4Å; D157-T230 CarbonylContact O-C 3.59Å; D157-T230 VanDerWaalsContact O-CA 3.29Å; D157-T230 WeakPolarHBondContact O-CA 3.23Å; V158-T230 HydrophobicContact CG2-CG2 4.42Å; V228-T230 HydrophobicContact CG1-CG2 4.02Å; T230-A236 CarbonylContact O-C 3.53Å; T230-A236 WeakPolarHBondContact O-CA 3.31Å; T230-E237 PolarHBondContact N-O 3.21Å; T230-E237 PolarHBondContact O-N 3.19Å |
| 231 | V | 93.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.3 | -179.2 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | D157 A159 H235 A236 | D157-V231 PolarHBondContact N-O 3.22Å; D157-V231 PolarHBondContact O-N 2.99Å; A159-V231 HydrophobicContact CB-CG2 3.66Å; V231-H235 CarbonylContact C-O 3.49Å; V231-H235 VanDerWaalsContact CA-O 3.26Å; V231-H235 WeakPolarHBondContact CA-O 3.27Å; V231-H235 WeakPolarHBondContact CG1-O 3.23Å; V231-A236 HydrophobicContact CG2-CB 4.04Å |
| 232 | Y | 91.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 140.6 | 176.4 | 53.5 | -95.5 | 0 | 0 | 0 | 109.7 | P114 I117 Y154 V156 G234 H235 E237 | P114-Y232 HydrophobicContact CB-CE2 4.11Å; I117-Y232 HydrophobicContact CD1-CD1 4.47Å; I117-Y232 HydrophobicContact CD1-CE1 4.19Å; Y154-Y232 HydrophobicContact CE2-CD1 4.49Å; Y154-Y232 AromaticContact CE2-CD2 3.81Å; Y154-Y232 HydrophobicContact CE2-CD2 3.81Å; Y154-Y232 AromaticContact CE2-CG 3.75Å; Y154-Y232 HydrophobicContact CE2-CG 3.75Å; Y154-Y232 WeakPolarHBondContact OH-CD2 3.28Å; V156-Y232 HydrophobicContact CG1-CD1 4.13Å; V156-Y232 HydrophobicContact CG2-CD1 4.29Å; Y232-G234 PolarHBondContact O-N 3.33Å; Y232-H235 HydrophobicContact CE2-CB 4.33Å; Y232-H235 PolarHBondContact N-O 3.45Å; Y232-H235 WeakPolarHBondContact O-CA 3.5Å; Y232-H235 PolarHBondContact O-N 2.9Å; Y232-E237 HydrophobicContact CE1-CB 4.01Å; Y232-E237 VanDerWaalsContact CE1-OE2 3.31Å; Y232-E237 WeakPolarHBondContact CE1-OE2 3.46Å; Y232-E237 PolarHBondContact OH-OE2 3.27Å |
| 233 | F | 89.1 | Confident | 92.8 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 30.4 | -179.1 | -59.3 | -62.1 | 0 | 0 | 0 | 115.3 | L112 Y154 H235 | L112-F233 HydrophobicContact CD2-CE2 4.17Å; L112-F233 HydrophobicContact CD2-CZ 3.86Å; Y154-F233 AromaticContact CD1-CE2 3.58Å; Y154-F233 HydrophobicContact CD1-CE2 3.58Å; Y154-F233 HydrophobicContact CD1-CZ 4.12Å; Y154-F233 HydrophobicContact CD2-CD2 4.3Å; Y154-F233 AromaticContact CD2-CE2 3.64Å; Y154-F233 HydrophobicContact CD2-CE2 3.64Å; Y154-F233 HydrophobicContact CD2-CZ 4.24Å; Y154-F233 HydrophobicContact CE1-CD2 4.49Å; Y154-F233 AromaticContact CE1-CE2 3.72Å; Y154-F233 HydrophobicContact CE1-CE2 3.72Å; Y154-F233 HydrophobicContact CE2-CD2 4.12Å; Y154-F233 AromaticContact CE2-CE2 3.79Å; Y154-F233 HydrophobicContact CE2-CE2 3.79Å; Y154-F233 AromaticContact CG-CE2 3.52Å; Y154-F233 HydrophobicContact CG-CE2 3.52Å; Y154-F233 AromaticContact CG-CZ 3.87Å; Y154-F233 HydrophobicContact CG-CZ 3.87Å; Y154-F233 AromaticContact CZ-CE2 3.8Å; F233-H235 PolarHBondContact O-N 2.95Å |
| 234 | G | 86.3 | Confident | 92.7 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 79% | 0.794 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -0.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y232 | Y232-G234 PolarHBondContact O-N 3.33Š|
| 235 | H | 88.8 | Confident | 92.5 | Very high | 129 Ų | 129 | 60 Ų | 60 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 142.1 | 169.9 | -68.2 | -76.1 | 0 | 0 | 0 | 110.7 | V231 Y232 F233 | V231-H235 CarbonylContact C-O 3.49Å; V231-H235 VanDerWaalsContact CA-O 3.26Å; V231-H235 WeakPolarHBondContact CA-O 3.27Å; V231-H235 WeakPolarHBondContact CG1-O 3.23Å; Y232-H235 HydrophobicContact CE2-CB 4.33Å; Y232-H235 PolarHBondContact N-O 3.45Å; Y232-H235 WeakPolarHBondContact O-CA 3.5Å; Y232-H235 PolarHBondContact O-N 2.9Å; F233-H235 PolarHBondContact O-N 2.95Å |
| 236 | A | 92 | Very high | 92.3 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 60% | 0.603 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T230 V231 | T230-A236 CarbonylContact O-C 3.53Å; T230-A236 WeakPolarHBondContact O-CA 3.31Å; V231-A236 HydrophobicContact CG2-CB 4.04Å |
| 237 | E | 91.7 | Very high | 92.2 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.8 | 177.1 | -174.7 | 174 | 171.5 | 0 | 0 | 109.3 | T229 T230 Y232 | T229-E237 CarbonylContact C-O 3.48Å; T229-E237 WeakPolarHBondContact CA-O 3.32Å; T230-E237 PolarHBondContact N-O 3.21Å; T230-E237 PolarHBondContact O-N 3.19Å; Y232-E237 HydrophobicContact CE1-CB 4.01Å; Y232-E237 VanDerWaalsContact CE1-OE2 3.31Å; Y232-E237 WeakPolarHBondContact CE1-OE2 3.46Å; Y232-E237 PolarHBondContact OH-OE2 3.27Å |
| 238 | Q | 93.9 | Very high | 92 | Very high | 137 Ų | 137 | 65.4 Ų | 65.4 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.9 | 178.7 | -64.5 | -175.5 | 23.7 | 0 | 0 | 109.9 | T227 V228 T229 | T227-Q238 HydrophobicContact CG2-CB 4.3Å; V228-Q238 WeakPolarHBondContact O-CA 3.35Å; T229-Q238 HydrophobicContact CG2-CG 4.02Å |
| 239 | V | 93.7 | Very high | 91.9 | Very high | 38 Ų | 38 | 65.4 Ų | 65.4 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124 | 175.3 | -178 | 0 | 0 | 0 | 0 | 107.8 | V119 T227 V228 | V119-V239 HydrophobicContact CB-CG1 4.23Å; V119-V239 HydrophobicContact CG2-CB 4.08Å; V119-V239 HydrophobicContact CG2-CG1 3.9Å; T227-V239 CarbonylContact C-O 3.59Å; T227-V239 WeakPolarHBondContact CA-O 3.39Å; V228-V239 PolarHBondContact N-O 2.75Å; V228-V239 PolarHBondContact O-N 2.85Å |
| 240 | S | 93.4 | Very high | 91.6 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 58% | 0.58 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.8 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | I226 | I226-S240 CarbonylContact O-C 3.58Å; I226-S240 WeakPolarHBondContact O-CA 3.37Å |
| 241 | Q | 92.6 | Very high | 91.3 | Very high | 58 Ų | 58 | 67 Ų | 67 | 27% | 0.271 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.2 | 177 | -169 | 174.1 | 8 | 0 | 0 | 110.2 | V119 Q225 I226 | V119-Q241 PolarHBondContact O-OE1 3.11Å; V119-Q241 VanDerWaalsContact O-OE1 3.11Å; Q225-Q241 WeakPolarHBondContact CA-O 3.49Å; I226-Q241 PolarHBondContact N-O 3.3Å; I226-Q241 PolarHBondContact O-N 2.93Å |
| 242 | E | 93.4 | Very high | 91.1 | Very high | 111 Ų | 111 | 70 Ų | 70 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137 | 176 | -68.9 | 178.8 | 179.7 | 0 | 0 | 109.3 | M224 Q225 | M224-E242 WeakPolarHBondContact O-CA 3.25Å; Q225-E242 HydrophobicContact CB-CG 4.08Å; Q225-E242 HydrophobicContact CG-CG 3.82Å; Q225-E242 PolarHBondContact NE2-OE1 3.28Å |
| 243 | M | 91.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 148.1 | -179.5 | 66.8 | -97.4 | 86.2 | 0 | 0 | 111.1 | Y121 M223 M224 I226 | Y121-M243 HydrophobicContact CD1-CG 4.11Å; Y121-M243 HydrophobicContact CD1-SD 4.18Å; Y121-M243 HydrophobicContact CD2-SD 3.71Å; Y121-M243 HydrophobicContact CE1-CG 4.41Å; Y121-M243 HydrophobicContact CE2-SD 4.35Å; Y121-M243 HydrophobicContact CG-CG 4.16Å; Y121-M243 HydrophobicContact CG-SD 3.62Å; M223-M243 CarbonylContact C-O 3.59Å; M223-M243 WeakPolarHBondContact CA-O 3.45Å; M224-M243 HydrophobicContact CB-CE 3.31Å; M224-M243 HydrophobicContact CB-CG 4.3Å; M224-M243 HydrophobicContact CB-SD 4.28Å; M224-M243 HydrophobicContact CE-CG 3.83Å; M224-M243 HydrophobicContact CE-SD 4.18Å; M224-M243 PolarHBondContact N-O 3.4Å; M224-M243 WeakPolarHBondContact O-CE 3.39Å; M224-M243 PolarHBondContact O-N 3.37Å; M224-M243 VanDerWaalsContact O-N 3.08Å; I226-M243 HydrophobicContact CD1-CE 3.54Å; I226-M243 HydrophobicContact CD1-SD 3.62Å; I226-M243 HydrophobicContact CG1-CE 3.87Å |
| 244 | Y | 91.9 | Very high | 90.4 | Very high | 173 Ų | 173 | 69.8 Ų | 69.8 | 68% | 0.678 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 139.8 | 174.8 | -66.5 | -85.8 | 0 | 0 | 0 | 110.3 | V221 V222 M223 | V221-Y244 HydrophobicContact CG1-CD1 4.14Å; V222-Y244 WeakPolarHBondContact O-CA 3.01Å; M223-Y244 HydrophobicContact CB-CD1 3.9Å; M223-Y244 HydrophobicContact CB-CE1 3.71Å; M223-Y244 HydrophobicContact CG-CD1 4.17Å; M223-Y244 HydrophobicContact CG-CE1 3.82Å; M223-Y244 HydrophobicContact SD-CE1 4.07Å |
| 245 | Q | 89.3 | Confident | 89.4 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.075 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148 | -179.2 | -168.5 | 167.5 | 35.8 | 0 | 0 | 112.9 | Y121 V124 V221 V222 M224 | Y121-Q245 VanDerWaalsContact OH-CD 3.22Å; Y121-Q245 PolarHBondContact OH-NE2 2.77Å; Y121-Q245 PolarHBondContact OH-OE1 3.13Å; V124-Q245 HydrophobicContact CG2-CG 4.38Å; V221-Q245 WeakPolarHBondContact CA-O 3.02Å; V222-Q245 PolarHBondContact N-O 3.38Å; V222-Q245 PolarHBondContact O-N 3.42Å; M224-Q245 HydrophobicContact CE-CB 4.28Å |
| 246 | Y | 90.6 | Very high | 87.6 | Confident | 150 Ų | 150 | 69.6 Ų | 69.6 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124.9 | 171.3 | -63.1 | -87 | 0 | 0 | 0 | 110.1 | N219 I220 V221 | N219-Y246 HydrophobicContact CB-CD1 4.47Å; I220-Y246 WeakPolarHBondContact O-CA 3.42Å; V221-Y246 HydrophobicContact CG2-CD1 3.6Å; V221-Y246 HydrophobicContact CG2-CE1 3.26Å; V221-Y246 HydrophobicContact CG2-CG 4.48Å |
| 247 | V | 91.9 | Very high | 85.5 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.8 | 177.6 | 171 | 0 | 0 | 0 | 0 | 107.7 | V127 L140 V142 N219 I220 V222 C249 | V127-V247 HydrophobicContact CB-CG1 4.43Å; V127-V247 HydrophobicContact CG1-CG1 3.71Å; V127-V247 HydrophobicContact CG2-CG1 3.93Å; L140-V247 HydrophobicContact CD1-CG1 4.48Å; V142-V247 HydrophobicContact CG1-CG2 4.44Å; V142-V247 HydrophobicContact CG2-CG1 4.26Å; N219-V247 WeakPolarHBondContact CA-O 3.38Å; I220-V247 HydrophobicContact CG1-CB 4.35Å; I220-V247 VanDerWaalsContact CG1-O 3.27Å; I220-V247 WeakPolarHBondContact CG1-O 3.38Å; I220-V247 PolarHBondContact N-O 3.45Å; I220-V247 PolarHBondContact O-N 3.42Å; V222-V247 HydrophobicContact CG2-CB 4.44Å; V222-V247 HydrophobicContact CG2-CG2 3.69Å; V247-C249 PolarHBondContact O-N 3.1Å |
| 248 | D | 92 | Very high | 83.1 | Confident | 21 Ų | 21 | 76.7 Ų | 76.7 | 11% | 0.112 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 118.1 | 173.4 | -169.4 | -5.3 | 0 | 0 | 0 | 109.2 | H218 G250 T253 | H218-D248 WeakPolarHBondContact CA-OD1 3.18Å; H218-D248 PolarHBondContact N-OD1 3.1Å; D248-G250 PolarHBondContact OD1-N 2.77Å; D248-T253 HydrophobicContact CB-CG2 3.9Å |
| 249 | C | 92.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -92.5 | 1 | 176.7 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | V129 Y131 L140 C210 H218 I220 V247 | V129-C249 WeakPolarHBondContact CG1-O 3.49Å; Y131-C249 PolarHBondContact OH-O 3.37Å; L140-C249 HydrophobicContact CD1-CB 4.29Å; L140-C249 HydrophobicContact CD2-CB 4.05Å; C210-C249 HydrophobicContact CB-CB 3.97Å; C210-C249 WeakPolarHBondContact CB-O 3.43Å; C210-C249 WeakPolarHBondContact CB-SG 3.18Å; C210-C249 WeakPolarHBondContact SG-CB 3.26Å; C210-C249 CovalentContact SG-SG 2.03Å; C210-C249 PolarHBondContact SG-SG 3.18Å; H218-C249 PolarHBondContact O-N 3.41Å; H218-C249 PolarHBondContact O-SG 3.44Å; I220-C249 HydrophobicContact CD1-CB 4.22Å; I220-C249 HydrophobicContact CG1-CB 4.36Å; V247-C249 PolarHBondContact O-N 3.1Å |
| 250 | G | 90.4 | Very high | 77.9 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 22% | 0.216 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -93.3 | -39.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y131 C210 H218 D248 | Y131-G250 WeakPolarHBondContact OH-CA 3.36Å; Y131-G250 PolarHBondContact OH-O 2.92Å; C210-G250 WeakPolarHBondContact O-CA 3.4Å; H218-G250 VanDerWaalsContact ND1-CA 3.35Å; H218-G250 WeakPolarHBondContact ND1-CA 3.39Å; D248-G250 PolarHBondContact OD1-N 2.77Å |
| 251 | G | 86.6 | Confident | 75.4 | Confident | 28 Ų | 28 | 83.4 Ų | 83.4 | 29% | 0.289 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -142.1 | 160.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V129 T253 | V129-G251 WeakPolarHBondContact CG2-O 3.34Å; G251-T253 PolarHBondContact O-N 2.72Å |
| 252 | N | 90.4 | Very high | 72.8 | Confident | 108 Ų | 108 | 87.5 Ų | 87.5 | 58% | 0.578 | 45% | 0.449 | S | S | * | . | trans | -65 | 124.5 | 173.1 | -68 | -21.6 | 0 | 0 | 0 | 109.3 | V127 Y128 V129 | V127-N252 WeakPolarHBondContact O-CA 3.25Å; Y128-N252 WeakPolarHBondContact CA-OD1 3.32Å; V129-N252 PolarHBondContact N-OD1 2.96Å | ||
| 253 | T | 85.9 | Confident | 69.9 | Low | 41 Ų | 41 | 88.3 Ų | 88.3 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.7 | 177.9 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | S126 V127 D248 G251 | S126-T253 CarbonylContact C-O 3.55Å; S126-T253 VanDerWaalsContact CA-O 3.23Å; S126-T253 WeakPolarHBondContact CA-O 3.47Å; V127-T253 WeakPolarHBondContact CB-OG1 3.38Å; V127-T253 PolarHBondContact N-O 3.45Å; V127-T253 PolarHBondContact O-N 2.98Å; D248-T253 HydrophobicContact CB-CG2 3.9Å; G251-T253 PolarHBondContact O-N 2.72Å |
| 254 | T | 80.3 | Confident | 67.6 | Low | 114 Ų | 114 | 92.5 Ų | 92.5 | 70% | 0.699 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 103 | 166.5 | 46.4 | 0 | 0 | 0 | 0 | 105.4 | ||
| 255 | A | 65.6 | Low | 65 | Low | 30 Ų | 30 | 92.8 Ų | 92.8 | 25% | 0.248 | 50% | 0.503 | C | S | . | . | trans | -114.1 | 131.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | K125 H257 | K125-A255 CarbonylContact C-O 3.55Å; K125-A255 PolarHBondContact O-N 2.82Å; A255-H257 HydrophobicContact CB-CB 4.23Å; A255-H257 PolarHBondContact O-N 3.29Å | ||
| 256 | L | 50.5 | Low | 62.5 | Low | 171 Ų | 171 | 98.4 Ų | 98.4 | 90% | 0.895 | 54% | 0.539 | S | S | * | . | trans | -89.6 | 72.6 | 151.6 | -75.9 | 171.3 | 0 | 0 | 0 | 105.7 | E258 | L256-E258 PolarHBondContact O-N 2.91Š| ||
| 257 | H | 48.3 | Very low | 60.1 | Low | 114 Ų | 114 | 98.3 Ų | 98.3 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | trans | -79.7 | 76.4 | 175.5 | -131.5 | -71.2 | 0 | 0 | 0 | 108.1 | A255 Y259 | A255-H257 HydrophobicContact CB-CB 4.23Å; A255-H257 PolarHBondContact O-N 3.29Å; H257-Y259 AromaticContact ND1-CD2 3.99Å; H257-Y259 AromaticContact ND1-CE2 3.78Å; H257-Y259 PolarHBondContact O-N 2.97Å | ||
| 258 | E | 40.8 | Very low | 58.5 | Low | 169 Ų | 169 | 103.1 Ų | 103.1 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | trans | -60.6 | 100.8 | 163.5 | -99.5 | -177.2 | 155.5 | 0 | 0 | 107.5 | L256 S260 | L256-E258 PolarHBondContact O-N 2.91Å; E258-S260 PolarHBondContact O-N 2.75Å | ||
| 259 | Y | 44.4 | Very low | 56.7 | Low | 151 Ų | 151 | 107.4 Ų | 107.4 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | trans | -72 | 83.5 | 158.2 | -93.9 | -90.7 | 0 | 0 | 0 | 107.4 | H257 L261 | H257-Y259 AromaticContact ND1-CD2 3.99Å; H257-Y259 AromaticContact ND1-CE2 3.78Å; H257-Y259 PolarHBondContact O-N 2.97Å; Y259-L261 HydrophobicContact CD1-CD1 4.4Å; Y259-L261 PolarHBondContact O-N 3.33Å | ||
| 260 | S | 33.7 | Very low | 54.8 | Low | 97 Ų | 97 | 113.3 Ų | 113.3 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | trans | -67.7 | 86.1 | 161.1 | -177 | 0 | 0 | 0 | 0 | 108 | E258 N262 | E258-S260 PolarHBondContact O-N 2.75Å; S260-N262 PolarHBondContact O-N 3.17Å; S260-N262 VanDerWaalsContact O-N 3.14Å | ||
| 261 | L | 41.2 | Very low | 52.7 | Low | 151 Ų | 151 | 118.8 Ų | 118.8 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -85.5 | 61.3 | 171.4 | -126.2 | 142.2 | 0 | 0 | 0 | 108.5 | Y259 | Y259-L261 HydrophobicContact CD1-CD1 4.4Å; Y259-L261 PolarHBondContact O-N 3.33Å | ||
| 262 | N | 38.6 | Very low | 50.5 | Low | 143 Ų | 143 | 124.4 Ų | 124.4 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | -140.6 | 72 | 172.8 | -89.4 | -18.1 | 0 | 0 | 0 | 110 | S260 | S260-N262 PolarHBondContact O-N 3.17Å; S260-N262 VanDerWaalsContact O-N 3.14Å | ||
| 263 | T | 31.1 | Very low | 47.9 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -135.6 | 108 | 154.9 | -3.8 | 0 | 0 | 0 | 0 | 107.8 | L265 | T263-L265 PolarHBondContact O-N 3.17Š| ||
| 264 | P | 42.9 | Very low | 45.2 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -70.7 | 116.6 | 168 | 17.9 | -10.4 | 0 | 0 | 0 | 107.9 | T266 | P264-T266 VanDerWaalsContact C-N 3.33Å; P264-T266 PolarHBondContact O-N 2.99Å | ||
| 265 | L | 38 | Very low | 42.5 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -60.2 | 99.9 | 160.6 | -86.3 | 151.1 | 0 | 0 | 0 | 107.2 | T263 G267 | T263-L265 PolarHBondContact O-N 3.17Å; L265-G267 PolarHBondContact O-N 2.89Å | ||
| 266 | T | 37.6 | Very low | 40.5 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | -80.1 | 105.1 | 160.8 | 35 | 0 | 0 | 0 | 0 | 106.5 | P264 | P264-T266 VanDerWaalsContact C-N 3.33Å; P264-T266 PolarHBondContact O-N 2.99Å | ||
| 267 | G | 39.4 | Very low | 39.6 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 100% | 1.536 | 81% | 0.814 | S | S | * | * | trans | -92 | 0 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L265 | L265-G267 PolarHBondContact O-N 2.89Š|
Retrieved 267 of 267 residues in 47.8 ms
(Link to these results)