| 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 | 31.4 | Very low | 26.9 | Very low | 228 Ų | 228 | 166.8 Ų | 166.8 | 100% | 1.123 | 81% | 0.807 | S | S | * | * | 0 | 97.5 | 0 | -173.6 | 175.3 | -166.7 | 0 | 0 | 107.7 | |||||
| 2 | W | 21.5 | Very low | 26.6 | Very low | 254 Ų | 254 | 167.4 Ų | 167.4 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | trans | -165.6 | 103.6 | 144 | -98.4 | 93.5 | 0 | 0 | 0 | 104.3 | ||||
| 3 | L | 27.1 | Very low | 26.3 | Very low | 154 Ų | 154 | 165.1 Ų | 165.1 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -73.5 | 142.4 | 168.9 | -88.2 | 87.9 | 0 | 0 | 0 | 108.3 | ||||
| 4 | S | 22.1 | Very low | 26.1 | Very low | 99 Ų | 99 | 164.7 Ų | 164.7 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -149 | 92.7 | 138.9 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | S | 24.6 | Very low | 25.9 | Very low | 92 Ų | 92 | 164.3 Ų | 164.3 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | -70.1 | 118.3 | 164.1 | -161.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 6 | Y | 25.7 | Very low | 26 | Very low | 196 Ų | 196 | 164.4 Ų | 164.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -110.7 | 89.2 | 161.1 | -100.8 | -88.9 | 0 | 0 | 0 | 108.5 | H8 | Y6-H8 PolarHBondContact O-N 3.18Š| ||
| 7 | T | 30.1 | Very low | 25.9 | Very low | 113 Ų | 113 | 162.1 Ų | 162.1 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | -62.5 | 114.6 | 158.3 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | H | 29.3 | Very low | 26.1 | Very low | 172 Ų | 172 | 162.8 Ų | 162.8 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -114 | 100.4 | 159.2 | -97.6 | -48.1 | 0 | 0 | 0 | 110.7 | Y6 | Y6-H8 PolarHBondContact O-N 3.18Š| ||
| 9 | Q | 29.4 | Very low | 26.3 | Very low | 171 Ų | 171 | 164.2 Ų | 164.2 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 137 | 163.4 | -74.6 | -179 | -33.1 | 0 | 0 | 111.1 | ||||
| 10 | H | 31.2 | Very low | 26.5 | Very low | 141 Ų | 141 | 164.5 Ų | 164.5 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | 23.6 | 115.8 | 146.4 | -57.1 | -73.2 | 0 | 0 | 0 | 119.8 | F12 | H10-F12 AromaticContact ND1-CE2 3.38Å; H10-F12 WeakPolarHBondContact ND1-CE2 3.45Å | ||
| 11 | K | 23.5 | Very low | 26.6 | Very low | 215 Ų | 215 | 162.8 Ų | 162.8 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -141.5 | 105.3 | 133.7 | -70.2 | -166.9 | -179.8 | 175.9 | 0 | 109.9 | ||||
| 12 | F | 24 | Very low | 26.5 | Very low | 174 Ų | 174 | 163.2 Ų | 163.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -80 | 146.5 | 164.6 | -66.3 | -87.5 | 0 | 0 | 0 | 109.1 | H10 | H10-F12 AromaticContact ND1-CE2 3.38Å; H10-F12 WeakPolarHBondContact ND1-CE2 3.45Å | ||
| 13 | V | 22.3 | Very low | 27 | Very low | 137 Ų | 137 | 157 Ų | 157 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -172 | 125.6 | 133.4 | 162.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | L | 22.7 | Very low | 27.2 | Very low | 160 Ų | 160 | 156.5 Ų | 156.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 136.5 | 158.6 | -99.4 | 96.4 | 0 | 0 | 0 | 108.1 | ||||
| 15 | D | 23.6 | Very low | 27.6 | Very low | 158 Ų | 158 | 157 Ų | 157 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -148.4 | 145.3 | 141.8 | -156.9 | 15.1 | 0 | 0 | 0 | 113.4 | ||||
| 16 | W | 27 | Very low | 27.9 | Very low | 166 Ų | 166 | 157.9 Ų | 157.9 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -96.5 | 126.9 | -165.9 | 168.7 | -87.9 | 0 | 0 | 0 | 110.2 | R18 L353 | W16-R18 PolarHBondContact O-N 2.93Å; W16-L353 HydrophobicContact CH2-CD1 3.89Å; W16-L353 HydrophobicContact CZ3-CD1 3.96Å | ||
| 17 | C | 24.3 | Very low | 28.2 | Very low | 126 Ų | 126 | 157.2 Ų | 157.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 114 | 172.3 | -93.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 18 | R | 29.3 | Very low | 28.1 | Very low | 174 Ų | 174 | 155.1 Ų | 155.1 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -148.8 | 111.7 | 140.4 | -98.2 | -168.4 | -165.3 | -178.4 | 14 | 112.8 | W16 E357 | W16-R18 PolarHBondContact O-N 2.93Å; R18-E357 IonicContact CZ-OE1 2.66Å; R18-E357 IonicContact NH1-OE1 3.04Å; R18-E357 IonicContact NH2-OE1 3.44Å; R18-E357 PolarHBondContact NH2-OE1 3.32Å | ||
| 19 | K | 30.3 | Very low | 28.6 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 54.3 | 112.8 | 137.6 | -68.4 | -179 | 176.9 | -179.8 | 0 | 121.5 | ||||
| 20 | L | 31 | Very low | 28.9 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | 25.9 | 111.9 | 124.5 | -81.3 | 152.1 | 0 | 0 | 0 | 118.5 | |||||
| 21 | S | 29.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 149 Ų | 149 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -156.5 | 145.4 | 139.6 | -72.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | R | 29 | Very low | 29.1 | Very low | 237 Ų | 237 | 147.8 Ų | 147.8 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | -59.2 | 163.8 | -161.5 | -72.6 | 171.9 | 163.7 | 177.5 | -6.3 | 117.3 | ||||
| 23 | P | 31.1 | Very low | 29.3 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -81.5 | 141.5 | 178.4 | 34.4 | -32.1 | 0 | 0 | 0 | 111.5 | ||||
| 24 | V | 31.8 | Very low | 29.7 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | trans | -127.4 | 124.9 | 159.7 | 177.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 25 | S | 30.8 | Very low | 30 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -78.4 | 139 | 178 | 2.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | S | 30.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -176.5 | 127.4 | 135.7 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 27 | L | 31.1 | Very low | 30.2 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 95% | 0.948 | 82% | 0.82 | S | S | * | * | trans | -11 | 134.9 | 158.8 | -63.2 | 99 | 0 | 0 | 0 | 118.3 | ||||
| 28 | G | 28.1 | Very low | 31.4 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | 151.2 | 175.4 | 88.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 29 | P | 41.2 | Very low | 31.4 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | -103.3 | 176.5 | -111.4 | 38.8 | -37 | 0 | 0 | 0 | 116.6 | |||||
| 30 | P | 34.9 | Very low | 31.3 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -94.6 | 152.9 | -173.7 | 36.7 | -29.7 | 0 | 0 | 0 | 113.1 | ||||
| 31 | A | 31.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -123.6 | 106.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | E | 28.3 | Very low | 31.3 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 46.9 | 131.7 | 132.6 | -63.9 | -174.8 | 163.6 | 0 | 0 | 123.6 | ||||
| 33 | T | 28.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -58.8 | 149.4 | 163 | 45.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 34 | S | 29.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -142.8 | 112.2 | 146.7 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 35 | H | 28.6 | Very low | 32.3 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -58.6 | 150.4 | 157.1 | -78.7 | -95.3 | 0 | 0 | 0 | 110.9 | ||||
| 36 | L | 27.8 | Very low | 32.3 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | -170.1 | 132.4 | 129.1 | -97 | 159.9 | 0 | 0 | 0 | 109.4 | |||||
| 37 | S | 26.7 | Very low | 32.4 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -97.8 | -155 | -176.2 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | P | 49.6 | Very low | 32.4 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | -106.6 | 179.8 | -117.8 | 31.5 | -9.5 | 0 | 0 | 0 | 112.8 | |||||
| 39 | E | 30.7 | Very low | 32.6 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 165.3 | 154 | 128.8 | -90.8 | -176 | 164.4 | 0 | 0 | 114.9 | |||||
| 40 | D | 28.4 | Very low | 32.1 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | trans | 79.8 | 106.3 | 154.2 | -67 | -22.6 | 0 | 0 | 0 | 121.2 | ||||
| 41 | R | 29.1 | Very low | 31.9 | Very low | 225 Ų | 225 | 148.1 Ų | 148.1 | 85% | 0.849 | 76% | 0.758 | S | S | * | * | 76 | 103.6 | 67.9 | -76.8 | -174.4 | 175.2 | -173.1 | 2.5 | 113.8 | |||||
| 42 | N | 29.3 | Very low | 31.8 | Very low | 146 Ų | 146 | 155 Ų | 155 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | 66 | 114.9 | 120.7 | -150 | 20.1 | 0 | 0 | 0 | 118.5 | |||||
| 43 | R | 30.2 | Very low | 31.7 | Very low | 245 Ų | 245 | 149.1 Ų | 149.1 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -179.7 | 104.6 | 132.2 | -100.2 | 165.2 | -173 | -171.9 | 4 | 112.5 | ||||
| 44 | D | 33.9 | Very low | 31.8 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -61.7 | 170.1 | 138.1 | -110 | -33.6 | 0 | 0 | 0 | 109.5 | ||||
| 45 | P | 48.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | cis | -152.2 | -171.2 | 35.2 | 36 | -11.1 | 0 | 0 | 0 | 117.4 | ||||
| 46 | A | 30.8 | Very low | 32.4 | Very low | 85 Ų | 85 | 148.7 Ų | 148.7 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 97.2 | 133.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 47 | V | 33.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | cis | -175.1 | 141.6 | 16.3 | 109.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 48 | R | 31.6 | Very low | 32.5 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 73% | 0.725 | 75% | 0.752 | S | S | * | * | trans | 70.6 | 143.2 | 146.8 | -68.3 | 179.7 | 175.1 | 174.5 | -1.9 | 119.9 | ||||
| 49 | R | 31.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 60% | 0.596 | 76% | 0.757 | S | S | * | * | cis | -171.3 | 147.8 | 12.9 | -119.3 | 171.5 | 178.7 | -179.5 | -0.9 | 111.3 | ||||
| 50 | R | 31.2 | Very low | 31.2 | Very low | 176 Ų | 176 | 143 Ų | 143 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | 74.4 | 141.9 | 140.8 | -71.9 | 171.8 | -179 | -158.6 | -1.7 | 117.9 | ||||
| 51 | H | 29.9 | Very low | 31.2 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -167.2 | 152.3 | 6.1 | -118.9 | -44 | 0 | 0 | 0 | 110 | ||||
| 52 | R | 29.3 | Very low | 31.2 | Very low | 240 Ų | 240 | 146.5 Ų | 146.5 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | 64.1 | 133.3 | 153.9 | -74.1 | 178.9 | 171.1 | -180 | -3.4 | 117 | ||||
| 53 | G | 27.6 | Very low | 31.6 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | cis | 150.6 | 101.1 | 12.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 54 | S | 29.7 | Very low | 31.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 34.2 | 126.2 | 147.7 | 54.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 55 | N | 30.5 | Very low | 31 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -46.8 | 166.7 | 154.1 | -68.6 | -22.9 | 0 | 0 | 0 | 113.6 | ||||
| 56 | P | 39.2 | Very low | 30 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | -146.6 | 155.2 | 92 | 36.9 | -18.8 | 0 | 0 | 0 | 116.8 | |||||
| 57 | S | 28.3 | Very low | 29.9 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 53 | 129.9 | 140.9 | 63.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 58 | T | 28.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 143 Ų | 143 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | 62.8 | 120.9 | 137.1 | 56.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 59 | A | 27.1 | Very low | 29.2 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 170 | 139.1 | 114.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 60 | S | 27.8 | Very low | 29 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -40.1 | 143.7 | 161.8 | 161.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 61 | R | 28 | Very low | 28.7 | Very low | 246 Ų | 246 | 138 Ų | 138 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | trans | -151.1 | 112.4 | 147.6 | -73.7 | -160.6 | 173.9 | -176.5 | -3.6 | 113.3 | ||||
| 62 | H | 28.3 | Very low | 28.6 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -64.8 | 164.2 | 138.7 | -100.1 | -69.3 | 0 | 0 | 0 | 109.6 | ||||
| 63 | P | 37.3 | Very low | 28.4 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -151.3 | -162.9 | 60.6 | 33.6 | -8.3 | 0 | 0 | 0 | 112.7 | |||||
| 64 | A | 27.2 | Very low | 28.3 | Very low | 81 Ų | 81 | 146.2 Ų | 146.2 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | cis | -175.4 | 176.9 | -41.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 65 | V | 25.8 | Very low | 28 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | 90.9 | 139.7 | 160 | -164.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 66 | A | 26.9 | Very low | 27.7 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | 178.8 | 147.3 | -34.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 67 | E | 27.6 | Very low | 27 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | 51.1 | 144.4 | 140.9 | -79.6 | -174.6 | -175 | 0 | 0 | 121.6 | ||||
| 68 | R | 25.5 | Very low | 26.8 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -166.9 | 138.8 | 34.9 | -110 | 152.1 | -153.3 | -129.5 | 2.3 | 109.4 | ||||
| 69 | I | 26 | Very low | 26.7 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | 51 | 114 | 99.2 | -41.9 | 179.7 | 0 | 0 | 0 | 117.1 | |||||
| 70 | T | 26.7 | Very low | 26.6 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | 173.2 | 146.1 | 105.4 | 38.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 71 | D | 25.7 | Very low | 26.6 | Very low | 146 Ų | 146 | 152.9 Ų | 152.9 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -47.6 | 158.4 | 166.5 | -71.6 | -65.8 | 0 | 0 | 0 | 115.9 | ||||
| 72 | H | 28.2 | Very low | 26.5 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | -169.2 | 141.4 | 124.3 | -96.7 | 19.8 | 0 | 0 | 0 | 115 | |||||
| 73 | K | 24.2 | Very low | 26.3 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -63.5 | 149.6 | 172.8 | -65.7 | 168.2 | 173.2 | 172.9 | 0 | 113 | ||||
| 74 | R | 25.3 | Very low | 25.9 | Very low | 233 Ų | 233 | 148.3 Ų | 148.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | 163 | 120.9 | 114.5 | -95 | 175.6 | 171.7 | 169.7 | -1.6 | 112.6 | |||||
| 75 | S | 24 | Very low | 25.9 | Very low | 96 Ų | 96 | 152 Ų | 152 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | 42.1 | 150.5 | 116.6 | -163.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 76 | F | 24.8 | Very low | 26.1 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | 90.4 | 145.6 | 166.6 | -69 | -95.5 | 0 | 0 | 0 | 116.3 | ||||
| 77 | K | 23.3 | Very low | 26.4 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | cis | -176.2 | 146.5 | -31.4 | -144.6 | 176.5 | 174.3 | 179.8 | 0 | 103 | ||||
| 78 | D | 24.1 | Very low | 26.5 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | trans | 34 | 127.3 | 154.4 | -59.3 | -34.4 | 0 | 0 | 0 | 120 | ||||
| 79 | K | 26.8 | Very low | 26.6 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | 174.1 | 121.6 | 97.7 | -91.3 | 177.7 | -175.3 | 175.1 | 0 | 112.2 | |||||
| 80 | S | 25 | Very low | 26.7 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 13.1 | 129.9 | 134.8 | 59 | 0 | 0 | 0 | 0 | 120 | ||||
| 81 | S | 27.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | -176.1 | 110.2 | 122.2 | -76.8 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 82 | K | 25.7 | Very low | 26.8 | Very low | 191 Ų | 191 | 149.1 Ų | 149.1 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | 35.3 | 100.9 | 84.9 | -90.1 | -171.5 | 179.9 | -179.2 | 0 | 112 | |||||
| 83 | N | 26.1 | Very low | 26.9 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | 168.2 | 147.8 | 92.7 | -106.5 | 22.8 | 0 | 0 | 0 | 113.4 | |||||
| 84 | D | 27.7 | Very low | 27 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | 75.1 | 110.9 | 141 | -54.1 | -25.6 | 0 | 0 | 0 | 121.7 | ||||
| 85 | I | 28.3 | Very low | 27.3 | Very low | 159 Ų | 159 | 139 Ų | 139 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -79.8 | 144.8 | 156.6 | -61.2 | 164.6 | 0 | 0 | 0 | 108.1 | ||||
| 86 | P | 29.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -130.2 | 162.7 | 126.9 | 11.5 | 10.3 | 0 | 0 | 0 | 113.3 | |||||
| 87 | P | 33.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -93.4 | 157.2 | -158.5 | 36.8 | -32.7 | 0 | 0 | 0 | 112.6 | ||||
| 88 | S | 28.5 | Very low | 28.5 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -140.2 | 140.7 | 154.6 | 81.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 89 | Q | 28.7 | Very low | 29.2 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -82.7 | 130.2 | -171.7 | -74.1 | 176.3 | -14.6 | 0 | 0 | 111.5 | ||||
| 90 | N | 27.3 | Very low | 29.8 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | 66.2 | 113.9 | 121.4 | -134.1 | 15.3 | 0 | 0 | 0 | 119.4 | |||||
| 91 | H | 28 | Very low | 30.7 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | 161.9 | 125 | 113.2 | -87 | 72.1 | 0 | 0 | 0 | 111.4 | |||||
| 92 | G | 25.5 | Very low | 31.5 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 175.6 | 91.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G94 | G92-G94 PolarHBondContact O-N 3.47Š| ||
| 93 | R | 30.7 | Very low | 32.5 | Very low | 263 Ų | 263 | 132 Ų | 132 | 99% | 0.992 | 74% | 0.744 | S | S | * | * | trans | -55.8 | 125.8 | -178.6 | -76 | 170.6 | 169.2 | 169.9 | -4.4 | 113 | ||||
| 94 | G | 26.3 | Very low | 33.1 | Very low | 61 Ų | 61 | 137.4 Ų | 137.4 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -155.7 | 122.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G92 V96 | G92-G94 PolarHBondContact O-N 3.47Å; G94-V96 PolarHBondContact O-N 3.36Å | ||
| 95 | G | 31.3 | Very low | 33.8 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -61.3 | 105 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 96 | V | 28.9 | Very low | 34.2 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -95.4 | 122.8 | 167.9 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | G94 K98 | G94-V96 PolarHBondContact O-N 3.36Å; V96-K98 PolarHBondContact O-N 3.09Å | ||
| 97 | F | 34 | Very low | 34.5 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | trans | -51.4 | 112.3 | 169 | -83.7 | -94.5 | 0 | 0 | 0 | 108.8 | V99 | F97-V99 PolarHBondContact O-N 3.23Š| ||
| 98 | K | 34.5 | Very low | 35 | Very low | 209 Ų | 209 | 135.3 Ų | 135.3 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -65.4 | 105.9 | 176.4 | -99.6 | 178.9 | 173.4 | 176.7 | 0 | 108.4 | V96 S100 | V96-K98 PolarHBondContact O-N 3.09Å; K98-S100 PolarHBondContact O-N 3.05Å | ||
| 99 | V | 39.1 | Very low | 35.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | -53.4 | 126.6 | 161.8 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | F97 S101 L103 | F97-V99 PolarHBondContact O-N 3.23Å; V99-S101 PolarHBondContact O-N 3.2Å; V99-L103 HydrophobicContact CG1-CB 4.07Å; V99-L103 HydrophobicContact CG1-CD1 3.45Å; V99-L103 VanDerWaalsContact CG1-CD1 3.45Å; V99-L103 HydrophobicContact CG1-CG 4.4Å | ||
| 100 | S | 40.5 | Very low | 35.8 | Very low | 47 Ų | 47 | 134.6 Ų | 134.6 | 33% | 0.329 | 72% | 0.716 | S | S | . | * | trans | -52.8 | 136.8 | 179.8 | 160.6 | 0 | 0 | 0 | 0 | 110.8 | K98 E102 L103 | K98-S100 PolarHBondContact O-N 3.05Å; S100-E102 PolarHBondContact O-N 3.12Å; S100-E102 WeakPolarHBondContact OG-CB 3.4Å; S100-E102 PolarHBondContact OG-N 3.5Å; S100-E102 PolarHBondContact OG-OE2 2.75Å; S100-L103 PolarHBondContact O-N 3.24Å; S100-L103 VanDerWaalsContact O-N 3.09Å | ||
| 101 | S | 42.8 | Very low | 36.8 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -59.2 | -12.8 | 176.1 | 41 | 0 | 0 | 0 | 0 | 114.1 | V99 | V99-S101 PolarHBondContact O-N 3.2Š|
| 102 | E | 43.5 | Very low | 37.4 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -73.6 | -26.6 | 175.8 | -65.8 | 159.1 | 152.2 | 0 | 0 | 112.2 | S100 R104 K105 | S100-E102 PolarHBondContact O-N 3.12Å; S100-E102 WeakPolarHBondContact OG-CB 3.4Å; S100-E102 PolarHBondContact OG-N 3.5Å; S100-E102 PolarHBondContact OG-OE2 2.75Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.39Å; E102-K105 PolarHBondContact O-N 3.02Å |
| 103 | L | 47 | Very low | 38.1 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 36% | 0.356 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -73.9 | -15.8 | 179.7 | -77.8 | 163.8 | 0 | 0 | 0 | 114 | V99 S100 K105 L106 E168 | V99-L103 HydrophobicContact CG1-CB 4.07Å; V99-L103 HydrophobicContact CG1-CD1 3.45Å; V99-L103 VanDerWaalsContact CG1-CD1 3.45Å; V99-L103 HydrophobicContact CG1-CG 4.4Å; S100-L103 PolarHBondContact O-N 3.24Å; S100-L103 VanDerWaalsContact O-N 3.09Å; L103-K105 VanDerWaalsContact C-N 3.25Å; L103-K105 PolarHBondContact O-N 3.05Å; L103-L106 HydrophobicContact CD2-CD1 3.94Å; L103-E168 HydrophobicContact CD1-CG 4.28Å |
| 104 | R | 38.6 | Very low | 38.6 | Very low | 235 Ų | 235 | 128 Ų | 128 | 89% | 0.887 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -77.2 | -11.9 | 172.8 | -75.8 | -176 | -179 | 172.3 | -0.4 | 113.2 | E102 | E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.39Å |
| 105 | K | 42.3 | Very low | 39.1 | Very low | 184 Ų | 184 | 134 Ų | 134 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -99.3 | -0.8 | -179.4 | -81 | -175.3 | 176.2 | -177.6 | 0 | 114.2 | E102 L103 S107 | E102-K105 PolarHBondContact O-N 3.02Å; L103-K105 VanDerWaalsContact C-N 3.25Å; L103-K105 PolarHBondContact O-N 3.05Å; K105-S107 PolarHBondContact O-N 3.45Å |
| 106 | L | 37.7 | Very low | 39.4 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 56% | 0.56 | 71% | 0.712 | S | S | * | * | trans | -82.2 | 94.2 | 170.2 | -66.8 | 174.4 | 0 | 0 | 0 | 108.8 | L103 L108 | L103-L106 HydrophobicContact CD2-CD1 3.94Å; L106-L108 PolarHBondContact O-N 3.49Å | ||
| 107 | S | 36.9 | Very low | 39.8 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 50% | 0.497 | 72% | 0.717 | S | S | . | * | trans | -58.5 | 128.4 | 157.2 | 26.9 | 0 | 0 | 0 | 0 | 108.6 | K105 E109 D110 | K105-S107 PolarHBondContact O-N 3.45Å; S107-E109 PolarHBondContact O-N 2.96Å; S107-D110 PolarHBondContact OG-OD2 3.04Å | ||
| 108 | L | 43.4 | Very low | 39.9 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 10.9 | -178.6 | -82.7 | 156.4 | 0 | 0 | 0 | 114.1 | L106 | L106-L108 PolarHBondContact O-N 3.49Š|
| 109 | E | 37.3 | Very low | 39.9 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -2.7 | -174.4 | -62 | -169.3 | 173.6 | 0 | 0 | 113.8 | S107 F111 | S107-E109 PolarHBondContact O-N 2.96Å; E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.44Å |
| 110 | D | 36.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | trans | -85.9 | 17.6 | -176.8 | -64.9 | -52.4 | 0 | 0 | 0 | 114.7 | S107 P112 | S107-D110 PolarHBondContact OG-OD2 3.04Å; D110-P112 WeakPolarHBondContact O-CD 3.33Å | ||
| 111 | F | 48.2 | Very low | 39.5 | Very low | 153 Ų | 153 | 152 Ų | 152 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | -96.5 | 110.8 | 177.7 | -62.5 | -75 | 0 | 0 | 0 | 110.3 | E109 A113 | E109-F111 VanDerWaalsContact C-N 3.27Å; E109-F111 PolarHBondContact O-N 3.44Å; F111-A113 PolarHBondContact O-N 2.95Å | ||
| 112 | P | 40 | Very low | 39.3 | Very low | 105 Ų | 105 | 155.8 Ų | 155.8 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | -64.4 | 128.3 | 177.9 | 24.8 | -30.8 | 0 | 0 | 0 | 110.1 | D110 D114 | D110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-D114 PolarHBondContact O-N 3.15Å | ||
| 113 | A | 40.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 157.6 Ų | 157.6 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -68.9 | 95.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | F111 K115 | F111-A113 PolarHBondContact O-N 2.95Å; A113-K115 PolarHBondContact O-N 2.56Å | ||
| 114 | D | 40.8 | Very low | 39 | Very low | 153 Ų | 153 | 163.2 Ų | 163.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -77.4 | 126.5 | -177 | -101.7 | -25.1 | 0 | 0 | 0 | 112.3 | P112 | P112-D114 PolarHBondContact O-N 3.15Š| ||
| 115 | K | 37.9 | Very low | 39.7 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -60.9 | 151.3 | 178.4 | -69.3 | 170.8 | 175.4 | 175.5 | 0 | 112.4 | A113 R117 | A113-K115 PolarHBondContact O-N 2.56Å; K115-R117 PolarHBondContact O-N 3.5Å | ||
| 116 | E | 36.9 | Very low | 41.6 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 95% | 0.949 | 77% | 0.767 | S | S | * | * | trans | -40 | 108.9 | 171.3 | -75 | 173.4 | 136.1 | 0 | 0 | 112.5 | ||||
| 117 | R | 37.9 | Very low | 44.2 | Very low | 240 Ų | 240 | 149.8 Ų | 149.8 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | trans | -106.2 | 118 | 165.7 | -110.2 | 178.9 | 176.6 | 174.3 | 0.8 | 108.8 | K115 L119 | K115-R117 PolarHBondContact O-N 3.5Å; R117-L119 PolarHBondContact O-N 3.17Å | ||
| 118 | Q | 34.6 | Very low | 47 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -44.2 | 124.6 | 178 | -68.6 | 176.8 | -8.6 | 0 | 0 | 112.3 | R120 | Q118-R120 PolarHBondContact O-N 3.04Š| ||
| 119 | L | 34.9 | Very low | 49.6 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 71% | 0.714 | S | S | * | * | trans | -65.1 | 109 | 178.5 | -73.5 | 153.2 | 0 | 0 | 0 | 110.1 | R117 | R117-L119 PolarHBondContact O-N 3.17Š| ||
| 120 | R | 30.7 | Very low | 52.5 | Low | 213 Ų | 213 | 135.4 Ų | 135.4 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -72.7 | 137.3 | 157.6 | -63 | -176.9 | -173.7 | -170.6 | 1.1 | 107.7 | Q118 K122 | Q118-R120 PolarHBondContact O-N 3.04Å; R120-K122 PolarHBondContact O-N 3.2Å | ||
| 121 | P | 40.9 | Very low | 55.5 | Low | 136 Ų | 136 | 130.6 Ų | 130.6 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | trans | -70.2 | 105.5 | 179.7 | 28.3 | -30.4 | 0 | 0 | 0 | 108.6 | ||||
| 122 | K | 38.3 | Very low | 57.8 | Low | 182 Ų | 182 | 123.3 Ų | 123.3 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | trans | -112.6 | 108.7 | 179.8 | -101.8 | -178.6 | 173.9 | 178.2 | 0 | 109.2 | R120 | R120-K122 PolarHBondContact O-N 3.2Š| ||
| 123 | Q | 38.9 | Very low | 60.6 | Low | 187 Ų | 187 | 119.3 Ų | 119.3 | 87% | 0.874 | 59% | 0.588 | S | S | * | * | trans | 29.6 | 108.8 | 143.8 | -148.7 | 166.1 | 4.6 | 0 | 0 | 115.7 | D125 | Q123-D125 PolarHBondContact O-N 3.49Å; Q123-D125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | E | 44.6 | Very low | 63.4 | Low | 187 Ų | 187 | 116.2 Ų | 116.2 | 87% | 0.874 | 56% | 0.562 | S | S | * | * | trans | -35.9 | 114.4 | -177.2 | -71.6 | 179.3 | 154.1 | 0 | 0 | 113.5 | T126 | E124-T126 PolarHBondContact O-N 3.46Š| ||
| 125 | D | 54.7 | Low | 66.1 | Low | 111 Ų | 111 | 109 Ų | 109 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | trans | -65.1 | 95.3 | -178.8 | -94.7 | -48 | 0 | 0 | 0 | 110.9 | Q123 A127 R200 | Q123-D125 PolarHBondContact O-N 3.49Å; Q123-D125 VanDerWaalsContact O-N 3.15Å; D125-A127 PolarHBondContact O-N 3.27Å; D125-R200 IonicContact OD1-NH2 2.89Å; D125-R200 PolarHBondContact OD1-NH2 2.92Å; D125-R200 IonicContact OD2-CZ 3.69Å; D125-R200 IonicContact OD2-NH2 2.72Å; D125-R200 PolarHBondContact OD2-NH2 2.97Å | ||
| 126 | T | 81.4 | Confident | 69 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 64% | 0.638 | 49% | 0.486 | S | S | * | . | trans | -72.6 | 26.7 | 168.5 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | E124 P203 | E124-T126 PolarHBondContact O-N 3.46Å; T126-P203 WeakPolarHBondContact O-CD 3.48Å; T126-P203 WeakPolarHBondContact O-CG 3.45Å | ||
| 127 | A | 93 | Very high | 71.9 | Confident | 28 Ų | 28 | 92.8 Ų | 92.8 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | trans | -76.9 | 139.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | D125 Y148 R200 A201 | D125-A127 PolarHBondContact O-N 3.27Å; A127-Y148 HydrophobicContact CB-CD2 3.78Å; A127-Y148 HydrophobicContact CB-CE2 3.63Å; A127-R200 HydrophobicContact CB-CG 3.9Å; A127-A201 CarbonylContact C-O 3.47Å; A127-A201 WeakPolarHBondContact CA-O 3.36Å | ||
| 128 | E | 96.3 | Very high | 74.8 | Confident | 39 Ų | 39 | 83.6 Ų | 83.6 | 18% | 0.182 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 163.3 | 169.9 | 66.2 | 176.4 | -149.7 | 0 | 0 | 111.5 | R145 A201 P262 | E128-R145 IonicContact OE1-CZ 3.82Å; E128-R145 VanDerWaalsContact OE1-CZ 3.3Å; E128-R145 IonicContact OE1-NH1 3.62Å; E128-R145 PolarHBondContact OE1-NH1 3.05Å; E128-R145 IonicContact OE1-NH2 3.22Å; E128-R145 PolarHBondContact OE1-NH2 3.19Å; E128-A201 PolarHBondContact N-O 3.49Å; E128-A201 PolarHBondContact O-N 3.42Å; E128-P262 HydrophobicContact CB-CG 4.1Å; E128-P262 VanDerWaalsContact CD-CG 3.49Å; E128-P262 HydrophobicContact CG-CG 3.96Å; E128-P262 WeakPolarHBondContact OE1-CD 3.46Å; E128-P262 WeakPolarHBondContact OE1-CG 3.48Å; E128-P262 WeakPolarHBondContact OE2-CD 3.47Å |
| 129 | I | 98 | Very high | 77.8 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102 | -179.8 | -55.6 | -54.1 | 0 | 0 | 0 | 109 | F131 M188 T189 C198 R200 P262 | I129-F131 WeakPolarHBondContact O-CD1 3.46Å; I129-M188 HydrophobicContact CD1-CE 3.53Å; I129-M188 HydrophobicContact CG1-CB 4.37Å; I129-M188 HydrophobicContact CG1-CE 4.08Å; I129-M188 HydrophobicContact CG2-CB 4.37Å; I129-T189 HydrophobicContact CG2-CG2 3.99Å; I129-C198 HydrophobicContact CG2-CB 3.78Å; I129-R200 HydrophobicContact CD1-CB 4.07Å; I129-R200 HydrophobicContact CD1-CG 3.99Å; I129-P262 WeakPolarHBondContact O-CB 3.45Å; I129-P262 WeakPolarHBondContact O-CG 3.22Å |
| 130 | V | 98.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137.5 | 167 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | P135 C136 C198 L199 | V130-P135 HydrophobicContact CG1-CB 3.71Å; V130-C136 PolarHBondContact O-SG 2.76Å; V130-C198 CarbonylContact O-C 3.55Å; V130-C198 VanDerWaalsContact O-CA 3.27Å; V130-C198 WeakPolarHBondContact O-CA 3.42Å; V130-L199 HydrophobicContact CB-CB 4.27Å; V130-L199 PolarHBondContact N-O 3.32Å; V130-L199 PolarHBondContact O-N 2.9Å |
| 131 | F | 98.4 | Very high | 84 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149.8 | -173.6 | 59.9 | -92.2 | 0 | 0 | 0 | 113.7 | I129 P135 T189 H194 P262 V263 K266 | I129-F131 WeakPolarHBondContact O-CD1 3.46Å; F131-P135 WeakPolarHBondContact O-CG 3.37Å; F131-T189 HydrophobicContact CB-CG2 3.55Å; F131-T189 HydrophobicContact CD1-CG2 3.72Å; F131-T189 HydrophobicContact CD2-CG2 4.4Å; F131-T189 HydrophobicContact CG-CG2 3.65Å; F131-H194 HydrophobicContact CB-CB 4.01Å; F131-P262 HydrophobicContact CD1-CB 4.14Å; F131-P262 HydrophobicContact CE1-CB 3.9Å; F131-V263 HydrophobicContact CZ-CG2 4.43Å; F131-K266 HydrophobicContact CD2-CB 4.45Å; F131-K266 HydrophobicContact CD2-CD 4.05Å; F131-K266 HydrophobicContact CD2-CG 4.25Å; F131-K266 HydrophobicContact CE2-CB 3.86Å; F131-K266 HydrophobicContact CE2-CD 4.01Å; F131-K266 HydrophobicContact CE2-CG 3.69Å; F131-K266 HydrophobicContact CZ-CB 4.15Å; F131-K266 HydrophobicContact CZ-CG 4.4Å; F131-K266 WeakPolarHBondContact O-CD 3.42Å |
| 132 | G | 97.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 96.6 | 152.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C136 H194 V197 | G132-C136 WeakPolarHBondContact O-CB 3.33Å; G132-C136 PolarHBondContact O-N 3.47Å; G132-C136 PolarHBondContact O-SG 3.08Å; G132-H194 VanDerWaalsContact CA-O 3.3Å; G132-H194 WeakPolarHBondContact CA-O 3.28Å; G132-H194 PolarHBondContact N-O 3.4Å; G132-V197 PolarHBondContact N-O 3.17Å |
| 133 | I | 98.1 | Very high | 89.3 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -56 | -171.7 | -67 | 160.4 | 0 | 0 | 0 | 112.1 | C136 L137 S162 V163 V166 Q195 V197 | I133-C136 PolarHBondContact O-N 2.85Å; I133-L137 WeakPolarHBondContact O-CB 3.44Å; I133-L137 PolarHBondContact O-N 3.34Å; I133-S162 WeakPolarHBondContact CD1-OG 3.15Å; I133-S162 WeakPolarHBondContact CG2-O 3.43Å; I133-V163 HydrophobicContact CD1-CG2 4.25Å; I133-V163 HydrophobicContact CG1-CG2 4.38Å; I133-V166 HydrophobicContact CG2-CG2 3.98Å; I133-Q195 HydrophobicContact CD1-CB 4.07Å; I133-Q195 HydrophobicContact CG1-CB 4.18Å; I133-V197 HydrophobicContact CG1-CG2 4.22Å |
| 134 | A | 98.2 | Very high | 92 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.8 | -45.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C136 L137 L138 S269 | A134-C136 PolarHBondContact O-N 3.28Å; A134-L137 PolarHBondContact O-N 3.34Å; A134-L138 WeakPolarHBondContact O-CB 3.29Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.27Å; A134-S269 WeakPolarHBondContact CB-O 3.49Å |
| 135 | P | 98.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.8 | -49 | 171.4 | -29.3 | 36.9 | 0 | 0 | 0 | 113.8 | V130 F131 L138 A139 K266 | V130-P135 HydrophobicContact CG1-CB 3.71Å; F131-P135 WeakPolarHBondContact O-CG 3.37Å; P135-L138 PolarHBondContact O-N 3.13Å; P135-A139 VanDerWaalsContact O-CB 3.24Å; P135-A139 WeakPolarHBondContact O-CB 3.5Å; P135-A139 PolarHBondContact O-N 2.88Å; P135-K266 HydrophobicContact CG-CD 4.28Å |
| 136 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | -179.6 | -66.8 | 0 | 0 | 0 | 0 | 112 | V130 G132 I133 A134 A139 L140 V166 V197 L199 | V130-C136 PolarHBondContact O-SG 2.76Å; G132-C136 WeakPolarHBondContact O-CB 3.33Å; G132-C136 PolarHBondContact O-N 3.47Å; G132-C136 PolarHBondContact O-SG 3.08Å; I133-C136 PolarHBondContact O-N 2.85Å; A134-C136 PolarHBondContact O-N 3.28Å; C136-A139 PolarHBondContact O-N 2.87Å; C136-L140 WeakPolarHBondContact O-CB 3.32Å; C136-L140 WeakPolarHBondContact O-CD1 3.48Å; C136-L140 VanDerWaalsContact O-CG 3.32Å; C136-L140 WeakPolarHBondContact O-CG 3.45Å; C136-L140 PolarHBondContact O-N 2.84Å; C136-V166 HydrophobicContact CB-CG1 4.03Å; C136-V197 HydrophobicContact CB-CG1 4.01Å; C136-L199 HydrophobicContact CB-CB 4.17Å |
| 137 | L | 98.5 | Very high | 97.2 | Very high | 49 Ų | 49 | 33.4 Ų | 33.4 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 177.4 | -175.3 | 59.8 | 0 | 0 | 0 | 111.8 | I133 A134 L140 T141 V166 E169 | I133-L137 WeakPolarHBondContact O-CB 3.44Å; I133-L137 PolarHBondContact O-N 3.34Å; A134-L137 PolarHBondContact O-N 3.34Å; L137-L140 PolarHBondContact O-N 3.06Å; L137-T141 HydrophobicContact CD1-CG2 4.19Å; L137-T141 HydrophobicContact CG-CG2 4.47Å; L137-T141 WeakPolarHBondContact O-CB 3.44Å; L137-T141 VanDerWaalsContact O-CG2 3.29Å; L137-T141 WeakPolarHBondContact O-CG2 3.37Å; L137-T141 PolarHBondContact O-N 3.25Å; L137-T141 PolarHBondContact O-OG1 2.9Å; L137-V166 HydrophobicContact CB-CG2 4.2Å; L137-E169 HydrophobicContact CD1-CB 3.91Å; L137-E169 HydrophobicContact CD1-CG 4.2Å |
| 138 | L | 98.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 35.4 Ų | 35.4 | 25% | 0.246 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.9 | -38.9 | 178.8 | -71.7 | 173.9 | 0 | 0 | 0 | 111.8 | A134 P135 L140 T141 Q142 G270 E273 | A134-L138 WeakPolarHBondContact O-CB 3.29Å; A134-L138 WeakPolarHBondContact O-CG 3.49Å; A134-L138 PolarHBondContact O-N 3.27Å; P135-L138 PolarHBondContact O-N 3.13Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 3.35Å; L138-T141 WeakPolarHBondContact CA-OG1 3.21Å; L138-T141 PolarHBondContact O-N 2.89Å; L138-T141 PolarHBondContact O-OG1 2.91Å; L138-Q142 VanDerWaalsContact O-CB 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.49Å; L138-Q142 WeakPolarHBondContact O-CG 3.43Å; L138-Q142 PolarHBondContact O-N 3.48Å; L138-G270 VanDerWaalsContact CD1-C 3.43Å; L138-G270 VanDerWaalsContact CD1-O 3.28Å; L138-G270 WeakPolarHBondContact CD1-O 3.4Å; L138-E273 HydrophobicContact CB-CB 3.83Å; L138-E273 HydrophobicContact CB-CG 4.23Å |
| 139 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P135 C136 G143 L199 E273 | P135-A139 VanDerWaalsContact O-CB 3.24Å; P135-A139 WeakPolarHBondContact O-CB 3.5Å; P135-A139 PolarHBondContact O-N 2.88Å; C136-A139 PolarHBondContact O-N 2.87Å; A139-G143 PolarHBondContact O-N 2.85Å; A139-L199 HydrophobicContact CB-CD2 3.64Å; A139-E273 HydrophobicContact CB-CG 4.12Å |
| 140 | L | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -48.9 | 175.3 | -74.3 | 163.9 | 0 | 0 | 0 | 111.9 | C136 L137 L138 V147 V166 E169 A170 R173 V175 L199 | C136-L140 WeakPolarHBondContact O-CB 3.32Å; C136-L140 WeakPolarHBondContact O-CD1 3.48Å; C136-L140 VanDerWaalsContact O-CG 3.32Å; C136-L140 WeakPolarHBondContact O-CG 3.45Å; C136-L140 PolarHBondContact O-N 2.84Å; L137-L140 PolarHBondContact O-N 3.06Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 3.35Å; L140-V147 HydrophobicContact CD2-CG1 3.97Å; L140-V147 HydrophobicContact CD2-CG2 4.25Å; L140-V166 HydrophobicContact CD1-CG1 3.67Å; L140-E169 HydrophobicContact CB-CG 3.53Å; L140-E169 HydrophobicContact CD1-CB 4.25Å; L140-E169 HydrophobicContact CD1-CG 4.09Å; L140-E169 HydrophobicContact CG-CG 4.37Å; L140-A170 HydrophobicContact CD1-CB 4.14Å; L140-A170 HydrophobicContact CD2-CB 4.36Å; L140-R173 PolarHBondContact O-NE 2.81Å; L140-R173 VanDerWaalsContact O-NE 3.13Å; L140-R173 PolarHBondContact O-NH1 2.95Å; L140-R173 PolarHBondContact O-NH2 3.48Å; L140-V175 HydrophobicContact CD2-CG2 4.09Å; L140-L199 HydrophobicContact CD1-CD1 4.46Å; L140-L199 HydrophobicContact CD2-CD1 4.03Å; L140-L199 HydrophobicContact CD2-CD2 4.45Å; L140-L199 HydrophobicContact CG-CD1 4.18Å; L140-L199 HydrophobicContact CG-CD2 4.1Å |
| 141 | T | 97.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 34.4 Ų | 34.4 | 26% | 0.258 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.4 | -38.1 | -173.4 | 51.4 | 0 | 0 | 0 | 0 | 113.3 | L137 L138 E169 R173 | L137-T141 HydrophobicContact CD1-CG2 4.19Å; L137-T141 HydrophobicContact CG-CG2 4.47Å; L137-T141 WeakPolarHBondContact O-CB 3.44Å; L137-T141 VanDerWaalsContact O-CG2 3.29Å; L137-T141 WeakPolarHBondContact O-CG2 3.37Å; L137-T141 PolarHBondContact O-N 3.25Å; L137-T141 PolarHBondContact O-OG1 2.9Å; L138-T141 WeakPolarHBondContact CA-OG1 3.21Å; L138-T141 PolarHBondContact O-N 2.89Å; L138-T141 PolarHBondContact O-OG1 2.91Å; T141-E169 VanDerWaalsContact CG2-CD 3.45Å; T141-E169 HydrophobicContact CG2-CG 3.92Å; T141-E169 WeakPolarHBondContact CG2-OE2 3.32Å; T141-R173 VanDerWaalsContact C-NH2 3.34Å; T141-R173 VanDerWaalsContact CA-NH2 3.29Å; T141-R173 PolarHBondContact O-NH2 3.31Å |
| 142 | Q | 96.6 | Very high | 97.4 | Very high | 87 Ų | 87 | 33.7 Ų | 33.7 | 41% | 0.407 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -79 | -21 | -176.6 | -61 | -58.6 | -50.9 | 0 | 0 | 112.8 | L138 R144 E273 A274 | L138-Q142 VanDerWaalsContact O-CB 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.49Å; L138-Q142 WeakPolarHBondContact O-CG 3.43Å; L138-Q142 PolarHBondContact O-N 3.48Å; Q142-R144 HydrophobicContact CB-CG 4.48Å; Q142-R144 PolarHBondContact O-N 3.35Å; Q142-R144 VanDerWaalsContact O-N 3.12Å; Q142-E273 WeakPolarHBondContact CB-O 3.47Å; Q142-A274 HydrophobicContact CG-CB 4.08Å |
| 143 | G | 92.9 | Very high | 97.4 | Very high | 44 Ų | 44 | 36.3 Ų | 36.3 | 45% | 0.454 | 19% | 0.188 | S | C | . | . | trans | 63.6 | 19.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A139 R145 | A139-G143 PolarHBondContact O-N 2.85Å; G143-R145 VanDerWaalsContact C-N 3.27Å; G143-R145 PolarHBondContact O-N 3.43Å | ||
| 144 | R | 95.6 | Very high | 97.1 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | trans | -82.4 | -4.3 | 179.2 | -69.4 | 179.5 | 63.6 | -158.8 | -0.4 | 113.9 | Q142 L204 M272 E273 M275 | Q142-R144 HydrophobicContact CB-CG 4.48Å; Q142-R144 PolarHBondContact O-N 3.35Å; Q142-R144 VanDerWaalsContact O-N 3.12Å; R144-L204 HydrophobicContact CB-CD1 3.84Å; R144-M272 PolarHBondContact NH1-O 3.46Å; R144-E273 VanDerWaalsContact CD-O 3.28Å; R144-E273 WeakPolarHBondContact CD-O 3.45Å; R144-E273 PolarHBondContact NH1-O 2.87Å; R144-M275 PolarHBondContact NH1-O 2.96Å | ||
| 145 | R | 95.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -122.5 | 148.1 | 177.4 | -62.2 | 173 | 177.4 | -93.2 | 11.6 | 109.4 | E128 G143 V147 A201 S202 L204 E273 | E128-R145 IonicContact OE1-CZ 3.82Å; E128-R145 VanDerWaalsContact OE1-CZ 3.3Å; E128-R145 IonicContact OE1-NH1 3.62Å; E128-R145 PolarHBondContact OE1-NH1 3.05Å; E128-R145 IonicContact OE1-NH2 3.22Å; E128-R145 PolarHBondContact OE1-NH2 3.19Å; G143-R145 VanDerWaalsContact C-N 3.27Å; G143-R145 PolarHBondContact O-N 3.43Å; R145-V147 PolarHBondContact O-N 3.05Å; R145-A201 HydrophobicContact CB-CB 4.11Å; R145-S202 PolarHBondContact NH1-O 3.37Å; R145-L204 HydrophobicContact CG-CD1 4.26Å; R145-L204 VanDerWaalsContact CZ-CB 3.43Å; R145-L204 VanDerWaalsContact NH1-N 3.15Å; R145-E273 WeakPolarHBondContact CD-OE2 3.49Å; R145-E273 IonicContact CZ-OE1 2.88Å; R145-E273 IonicContact CZ-OE2 3.66Å; R145-E273 VanDerWaalsContact NE-CD 3.33Å; R145-E273 IonicContact NE-OE1 2.99Å; R145-E273 PolarHBondContact NE-OE1 3.47Å; R145-E273 IonicContact NE-OE2 3.36Å; R145-E273 PolarHBondContact NE-OE2 3.35Å; R145-E273 IonicContact NH2-OE1 3.68Å; R145-E273 PolarHBondContact NH2-OE1 3.05Å; R145-E273 IonicContact NH2-OE2 3.59Å |
| 146 | K | 96.5 | Very high | 95.7 | Very high | 142 Ų | 142 | 46.5 Ų | 46.5 | 62% | 0.617 | 25% | 0.246 | S | C | * | . | trans | -74.7 | 118.9 | 161.8 | -173.6 | 176.6 | 179.4 | -175.5 | 0 | 107.9 | Y148 A201 S202 | K146-Y148 HydrophobicContact CB-CE1 4.42Å; K146-Y148 HydrophobicContact CD-CE1 3.61Å; K146-Y148 HydrophobicContact CG-CD1 4.38Å; K146-Y148 HydrophobicContact CG-CE1 3.74Å; K146-A201 CarbonylContact O-C 3.53Å; K146-A201 VanDerWaalsContact O-CA 3.23Å; K146-A201 WeakPolarHBondContact O-CA 3.27Å; K146-S202 PolarHBondContact N-OG 3.36Å; K146-S202 PolarHBondContact O-N 2.85Å | ||
| 147 | V | 97.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 48 Ų | 48 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.9 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L140 R145 V175 L199 | L140-V147 HydrophobicContact CD2-CG1 3.97Å; L140-V147 HydrophobicContact CD2-CG2 4.25Å; R145-V147 PolarHBondContact O-N 3.05Å; V147-V175 HydrophobicContact CB-CG2 4.04Å; V147-V175 HydrophobicContact CG1-CB 4.27Å; V147-V175 HydrophobicContact CG1-CG1 3.61Å; V147-V175 HydrophobicContact CG1-CG2 3.59Å; V147-L199 HydrophobicContact CG1-CD1 3.56Å; V147-L199 HydrophobicContact CG1-CD2 4.28Å; V147-L199 HydrophobicContact CG1-CG 4.07Å; V147-L199 HydrophobicContact CG2-CD2 4.23Å |
| 148 | Y | 97 | Very high | 93.8 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 28% | 0.275 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -46.2 | -178 | -54.1 | -61.2 | 0 | 0 | 0 | 112.1 | A127 K146 R200 S202 | A127-Y148 HydrophobicContact CB-CD2 3.78Å; A127-Y148 HydrophobicContact CB-CE2 3.63Å; K146-Y148 HydrophobicContact CB-CE1 4.42Å; K146-Y148 HydrophobicContact CD-CE1 3.61Å; K146-Y148 HydrophobicContact CG-CD1 4.38Å; K146-Y148 HydrophobicContact CG-CE1 3.74Å; Y148-R200 WeakPolarHBondContact CB-O 3.38Å; Y148-R200 HydrophobicContact CD2-CG 4.19Å; Y148-R200 PolarHBondContact N-O 3.3Å; Y148-S202 VanDerWaalsContact CE2-N 3.34Å |
| 149 | Q | 98.1 | Very high | 93.1 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 140.1 | -173 | -168.5 | 179.1 | 23 | 0 | 0 | 111.4 | L151 S178 R200 | Q149-L151 HydrophobicContact CG-CD2 4.05Å; Q149-S178 PolarHBondContact NE2-OG 3.02Å; Q149-R200 HydrophobicContact CB-CB 4.31Å; Q149-R200 PolarHBondContact N-O 3.09Å; Q149-R200 PolarHBondContact O-N 3.02Å |
| 150 | L | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.2 | 167.2 | -174.2 | 74.9 | 0 | 0 | 0 | 109.6 | V152 V166 A170 V175 Q176 V177 S178 V197 L199 | L150-V152 HydrophobicContact CD2-CG2 3.83Å; L150-V152 HydrophobicContact CG-CG2 3.96Å; L150-V166 HydrophobicContact CD1-CG1 3.77Å; L150-V166 HydrophobicContact CD2-CG1 4.11Å; L150-A170 HydrophobicContact CB-CB 4.14Å; L150-A170 HydrophobicContact CD2-CB 3.72Å; L150-A170 HydrophobicContact CG-CB 4.46Å; L150-V175 HydrophobicContact CB-CG1 4.33Å; L150-Q176 PolarHBondContact N-O 2.85Å; L150-V177 HydrophobicContact CB-CG2 4.22Å; L150-V177 HydrophobicContact CD2-CG1 4.1Å; L150-V177 HydrophobicContact CD2-CG2 4.03Å; L150-V177 CarbonylContact O-C 3.56Å; L150-V177 WeakPolarHBondContact O-CA 3.43Å; L150-S178 PolarHBondContact O-N 2.88Å; L150-V197 HydrophobicContact CD1-CG1 3.72Å; L150-L199 HydrophobicContact CB-CD1 4.19Å; L150-L199 HydrophobicContact CD1-CB 4.45Å; L150-L199 HydrophobicContact CD1-CD1 3.75Å |
| 151 | L | 98.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.7 | 179.1 | -57.7 | 169.7 | 0 | 0 | 0 | 108.7 | Q149 S178 V180 L185 M188 C198 | Q149-L151 HydrophobicContact CG-CD2 4.05Å; L151-S178 WeakPolarHBondContact CA-O 3.28Å; L151-V180 HydrophobicContact CB-CG2 4.08Å; L151-V180 HydrophobicContact CD2-CG1 4Å; L151-L185 HydrophobicContact CB-CD2 4.15Å; L151-M188 HydrophobicContact CD1-CE 3.28Å; L151-M188 HydrophobicContact CD1-SD 3.79Å; L151-C198 HydrophobicContact CB-CB 4.18Å; L151-C198 HydrophobicContact CD1-CB 4.45Å; L151-C198 PolarHBondContact N-O 2.92Å; L151-C198 PolarHBondContact O-N 3.42Å |
| 152 | V | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.1 | -176.3 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | L150 D154 V163 V177 S178 R179 V180 G196 | L150-V152 HydrophobicContact CD2-CG2 3.83Å; L150-V152 HydrophobicContact CG-CG2 3.96Å; V152-D154 PolarHBondContact O-N 3.34Å; V152-V163 HydrophobicContact CG1-CG1 3.56Å; V152-V177 HydrophobicContact CG2-CG1 3.85Å; V152-S178 PolarHBondContact N-O 3.42Å; V152-R179 CarbonylContact O-C 3.54Å; V152-R179 WeakPolarHBondContact O-CA 3.47Å; V152-V180 PolarHBondContact O-N 2.94Å; V152-G196 WeakPolarHBondContact CA-O 3.43Å |
| 153 | K | 96.6 | Very high | 92.5 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 133.4 | 176.7 | -172.2 | -166.7 | 153.9 | -166.1 | 0 | 109.9 | T157 V180 K182 L185 G196 | K153-T157 HydrophobicContact CD-CG2 4.29Å; K153-T157 PolarHBondContact NZ-OG1 3.4Å; K153-V180 CarbonylContact C-O 3.56Å; K153-V180 WeakPolarHBondContact CA-O 3.15Å; K153-K182 HydrophobicContact CD-CB 4.29Å; K153-K182 HydrophobicContact CD-CG 4.5Å; K153-K182 HydrophobicContact CG-CB 4.39Å; K153-L185 HydrophobicContact CB-CD1 3.63Å; K153-L185 HydrophobicContact CG-CD1 4.3Å; K153-G196 PolarHBondContact N-O 3.44Å |
| 154 | D | 92.1 | Very high | 92.6 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -67.7 | 155.7 | 173.1 | -162 | 17.2 | 0 | 0 | 0 | 113 | V152 V180 | V152-D154 PolarHBondContact O-N 3.34Å; D154-V180 PolarHBondContact N-O 3.38Å |
| 155 | G | 87.8 | Confident | 92.7 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 81.5 | -167.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T157 S158 | G155-T157 PolarHBondContact O-N 2.96Å; G155-S158 VanDerWaalsContact O-CB 3.27Å; G155-S158 WeakPolarHBondContact O-CB 3.5Å; G155-S158 PolarHBondContact O-N 2.82Å; G155-S158 PolarHBondContact O-OG 3.39Å |
| 156 | D | 80.7 | Confident | 92.8 | Very high | 136 Ų | 136 | 54.9 Ų | 54.9 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -54.8 | -26.3 | -167.2 | -62.4 | -14.8 | 0 | 0 | 0 | 116 | S158 L159 | D156-S158 PolarHBondContact O-N 3.07Å; D156-L159 WeakPolarHBondContact O-CB 3.24Å; D156-L159 PolarHBondContact O-N 3.4Å |
| 157 | T | 77.6 | Confident | 92.9 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.6 | 176.1 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | K153 G155 L159 R160 | K153-T157 HydrophobicContact CD-CG2 4.29Å; K153-T157 PolarHBondContact NZ-OG1 3.4Å; G155-T157 PolarHBondContact O-N 2.96Å; T157-L159 PolarHBondContact O-N 3Å; T157-R160 WeakPolarHBondContact O-CG 3.23Å; T157-R160 PolarHBondContact O-N 3.35Å |
| 158 | S | 78.4 | Confident | 92.8 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -66 | -21.6 | 176.5 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | G155 D156 L164 R179 | G155-S158 VanDerWaalsContact O-CB 3.27Å; G155-S158 WeakPolarHBondContact O-CB 3.5Å; G155-S158 PolarHBondContact O-N 2.82Å; G155-S158 PolarHBondContact O-OG 3.39Å; D156-S158 PolarHBondContact O-N 3.07Å; S158-L164 WeakPolarHBondContact O-CD2 3.49Å; S158-R179 VanDerWaalsContact CB-NH1 3.27Å |
| 159 | L | 84.8 | Confident | 92.9 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -89.3 | -5.5 | -177.1 | -57.1 | 178.1 | 0 | 0 | 0 | 112.9 | D156 T157 A161 L164 | D156-L159 WeakPolarHBondContact O-CB 3.24Å; D156-L159 PolarHBondContact O-N 3.4Å; T157-L159 PolarHBondContact O-N 3Å; L159-A161 PolarHBondContact O-N 2.63Å; L159-L164 WeakPolarHBondContact O-CD1 3.28Å |
| 160 | R | 92.7 | Very high | 92.9 | Very high | 134 Ų | 134 | 46.3 Ų | 46.3 | 51% | 0.506 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -61.2 | 133.4 | 176 | -68.2 | 176.1 | 64.4 | 177.8 | 1.5 | 109.5 | T157 S162 V163 L164 | T157-R160 WeakPolarHBondContact O-CG 3.23Å; T157-R160 PolarHBondContact O-N 3.35Å; R160-S162 PolarHBondContact O-N 2.98Å; R160-V163 HydrophobicContact CB-CB 4.41Å; R160-V163 HydrophobicContact CB-CG2 4.13Å; R160-V163 WeakPolarHBondContact O-CA 3.46Å; R160-V163 WeakPolarHBondContact O-CB 3.43Å; R160-V163 PolarHBondContact O-N 3.24Å; R160-L164 PolarHBondContact O-N 3.49Å |
| 161 | A | 92.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 53 Ų | 53 | 69% | 0.686 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -50.4 | -39.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L159 V163 L164 S165 | L159-A161 PolarHBondContact O-N 2.63Å; A161-V163 VanDerWaalsContact C-N 3.31Å; A161-V163 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 3.17Å; A161-S165 PolarHBondContact O-N 2.96Å |
| 162 | S | 95.2 | Very high | 92.7 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.8 | -24.3 | 177.8 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | I133 R160 S165 V166 | I133-S162 WeakPolarHBondContact CD1-OG 3.15Å; I133-S162 WeakPolarHBondContact CG2-O 3.43Å; R160-S162 PolarHBondContact O-N 2.98Å; S162-S165 PolarHBondContact O-OG 3.41Å; S162-V166 WeakPolarHBondContact O-CG2 3.24Å |
| 163 | V | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.7 | -41.4 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | I133 V152 R160 A161 S165 V166 C167 V197 | I133-V163 HydrophobicContact CD1-CG2 4.25Å; I133-V163 HydrophobicContact CG1-CG2 4.38Å; V152-V163 HydrophobicContact CG1-CG1 3.56Å; R160-V163 HydrophobicContact CB-CB 4.41Å; R160-V163 HydrophobicContact CB-CG2 4.13Å; R160-V163 WeakPolarHBondContact O-CA 3.46Å; R160-V163 WeakPolarHBondContact O-CB 3.43Å; R160-V163 PolarHBondContact O-N 3.24Å; A161-V163 VanDerWaalsContact C-N 3.31Å; A161-V163 PolarHBondContact O-N 2.91Å; V163-S165 VanDerWaalsContact C-N 3.27Å; V163-S165 PolarHBondContact O-N 2.93Å; V163-V166 WeakPolarHBondContact O-CB 3.42Å; V163-V166 PolarHBondContact O-N 3.2Å; V163-C167 PolarHBondContact O-N 3Å; V163-C167 PolarHBondContact O-SG 3.25Å; V163-C167 VanDerWaalsContact O-SG 3.4Å; V163-V197 HydrophobicContact CB-CG2 4.24Å; V163-V197 HydrophobicContact CG1-CG2 3.76Å; V163-V197 HydrophobicContact CG2-CG2 3.8Å |
| 164 | L | 95.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 66 Ų | 66 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.6 | -39.1 | 175.6 | -66.5 | 176.7 | 0 | 0 | 0 | 112.2 | S158 L159 R160 A161 V166 C167 E168 | S158-L164 WeakPolarHBondContact O-CD2 3.49Å; L159-L164 WeakPolarHBondContact O-CD1 3.28Å; R160-L164 PolarHBondContact O-N 3.49Å; A161-L164 PolarHBondContact O-N 3.17Å; L164-V166 VanDerWaalsContact C-N 3.28Å; L164-V166 PolarHBondContact O-N 3.35Å; L164-C167 WeakPolarHBondContact O-CB 3.38Å; L164-C167 PolarHBondContact O-N 3.44Å; L164-E168 WeakPolarHBondContact O-CB 3.33Å; L164-E168 PolarHBondContact O-N 3.38Å |
| 165 | S | 96.7 | Very high | 92.9 | Very high | 43 Ų | 43 | 62 Ų | 62 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -34.9 | 175.5 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | A161 S162 V163 E169 | A161-S165 PolarHBondContact O-N 2.96Å; S162-S165 PolarHBondContact O-OG 3.41Å; V163-S165 VanDerWaalsContact C-N 3.27Å; V163-S165 PolarHBondContact O-N 2.93Å; S165-E169 PolarHBondContact O-N 2.74Å; S165-E169 VanDerWaalsContact O-N 3.08Å |
| 166 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.4 | -41.6 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 110.7 | I133 C136 L137 L140 L150 S162 V163 L164 E168 E169 A170 V197 | I133-V166 HydrophobicContact CG2-CG2 3.98Å; C136-V166 HydrophobicContact CB-CG1 4.03Å; L137-V166 HydrophobicContact CB-CG2 4.2Å; L140-V166 HydrophobicContact CD1-CG1 3.67Å; L150-V166 HydrophobicContact CD1-CG1 3.77Å; L150-V166 HydrophobicContact CD2-CG1 4.11Å; S162-V166 WeakPolarHBondContact O-CG2 3.24Å; V163-V166 WeakPolarHBondContact O-CB 3.42Å; V163-V166 PolarHBondContact O-N 3.2Å; L164-V166 VanDerWaalsContact C-N 3.28Å; L164-V166 PolarHBondContact O-N 3.35Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 3.36Å; V166-E169 PolarHBondContact O-N 3.12Å; V166-A170 WeakPolarHBondContact O-CB 3.46Å; V166-A170 PolarHBondContact O-N 3.47Å; V166-V197 HydrophobicContact CG1-CG1 4.06Å |
| 167 | C | 97.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 14% | 0.135 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 174.4 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | V163 L164 A170 H171 | V163-C167 PolarHBondContact O-N 3Å; V163-C167 PolarHBondContact O-SG 3.25Å; V163-C167 VanDerWaalsContact O-SG 3.4Å; L164-C167 WeakPolarHBondContact O-CB 3.38Å; L164-C167 PolarHBondContact O-N 3.44Å; C167-A170 PolarHBondContact O-N 2.83Å; C167-H171 WeakPolarHBondContact O-CB 3.47Å; C167-H171 PolarHBondContact O-N 3.34Å |
| 168 | E | 97 | Very high | 95 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 178.2 | -167.1 | -166.8 | 146.3 | 0 | 0 | 111.4 | L103 L164 V166 A170 H171 R172 | L103-E168 HydrophobicContact CD1-CG 4.28Å; L164-E168 WeakPolarHBondContact O-CB 3.33Å; L164-E168 PolarHBondContact O-N 3.38Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 3.36Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.88Å; E168-H171 PolarHBondContact O-N 3.45Å; E168-R172 WeakPolarHBondContact O-CB 3.34Å; E168-R172 PolarHBondContact O-N 3.15Å; E168-R172 IonicContact OE1-NH2 3.84Å; E168-R172 PolarHBondContact OE1-NH2 3.18Å; E168-R172 VanDerWaalsContact OE1-NH2 3.12Å |
| 169 | E | 97.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 66.6 Ų | 66.6 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174 | -178.4 | 69.9 | -141.9 | 0 | 0 | 111.5 | L137 L140 T141 S165 V166 H171 R172 R173 | L137-E169 HydrophobicContact CD1-CB 3.91Å; L137-E169 HydrophobicContact CD1-CG 4.2Å; L140-E169 HydrophobicContact CB-CG 3.53Å; L140-E169 HydrophobicContact CD1-CB 4.25Å; L140-E169 HydrophobicContact CD1-CG 4.09Å; L140-E169 HydrophobicContact CG-CG 4.37Å; T141-E169 VanDerWaalsContact CG2-CD 3.45Å; T141-E169 HydrophobicContact CG2-CG 3.92Å; T141-E169 WeakPolarHBondContact CG2-OE2 3.32Å; S165-E169 PolarHBondContact O-N 2.74Å; S165-E169 VanDerWaalsContact O-N 3.08Å; V166-E169 PolarHBondContact O-N 3.12Å; E169-H171 VanDerWaalsContact C-N 3.34Å; E169-H171 PolarHBondContact O-N 3.35Å; E169-R172 PolarHBondContact O-N 3.38Å; E169-R172 IonicContact OE1-NH1 2.56Å; E169-R172 PolarHBondContact OE1-NH1 3.03Å; E169-R172 IonicContact OE2-CZ 3.12Å; E169-R172 IonicContact OE2-NH1 3.76Å; E169-R172 PolarHBondContact OE2-NH1 3.49Å; E169-R173 HydrophobicContact CG-CG 4.44Å; E169-R173 WeakPolarHBondContact O-CB 3.32Å; E169-R173 WeakPolarHBondContact O-CG 3.22Å; E169-R173 PolarHBondContact O-N 2.86Å; E169-R173 IonicContact OE1-CZ 3.5Å; E169-R173 IonicContact OE1-NE 3.34Å; E169-R173 PolarHBondContact OE1-NE 3.4Å; E169-R173 IonicContact OE1-NH2 3.56Å; E169-R173 PolarHBondContact OE1-NH2 3.44Å |
| 170 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L140 L150 V166 C167 E168 R172 R173 G174 V175 V177 | L140-A170 HydrophobicContact CD1-CB 4.14Å; L140-A170 HydrophobicContact CD2-CB 4.36Å; L150-A170 HydrophobicContact CB-CB 4.14Å; L150-A170 HydrophobicContact CD2-CB 3.72Å; L150-A170 HydrophobicContact CG-CB 4.46Å; V166-A170 WeakPolarHBondContact O-CB 3.46Å; V166-A170 PolarHBondContact O-N 3.47Å; C167-A170 PolarHBondContact O-N 2.83Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.88Å; A170-R172 PolarHBondContact O-N 3.41Å; A170-R173 CarbonylContact O-C 3.6Å; A170-R173 PolarHBondContact O-N 3.42Å; A170-G174 PolarHBondContact O-N 3.04Å; A170-G174 VanDerWaalsContact O-N 3.15Å; A170-V175 HydrophobicContact CB-CB 4.06Å; A170-V175 HydrophobicContact CB-CG1 4.37Å; A170-V175 WeakPolarHBondContact O-CB 3.4Å; A170-V175 PolarHBondContact O-N 2.91Å; A170-V177 HydrophobicContact CB-CG2 4.02Å |
| 171 | H | 96.9 | Very high | 96.5 | Very high | 139 Ų | 139 | 59 Ų | 59 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 176.2 | -170.8 | 73.9 | 0 | 0 | 0 | 111.9 | C167 E168 E169 R173 G174 | C167-H171 WeakPolarHBondContact O-CB 3.47Å; C167-H171 PolarHBondContact O-N 3.34Å; E168-H171 PolarHBondContact O-N 3.45Å; E169-H171 VanDerWaalsContact C-N 3.34Å; E169-H171 PolarHBondContact O-N 3.35Å; H171-R173 PolarHBondContact O-N 2.91Å; H171-G174 PolarHBondContact O-N 2.79Å |
| 172 | R | 96.6 | Very high | 96.7 | Very high | 145 Ų | 145 | 60.7 Ų | 60.7 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.4 | -30.5 | 176.5 | -160.8 | -177.8 | -48.4 | 106.6 | 2.6 | 112.8 | E168 E169 A170 | E168-R172 WeakPolarHBondContact O-CB 3.34Å; E168-R172 PolarHBondContact O-N 3.15Å; E168-R172 IonicContact OE1-NH2 3.84Å; E168-R172 PolarHBondContact OE1-NH2 3.18Å; E168-R172 VanDerWaalsContact OE1-NH2 3.12Å; E169-R172 PolarHBondContact O-N 3.38Å; E169-R172 IonicContact OE1-NH1 2.56Å; E169-R172 PolarHBondContact OE1-NH1 3.03Å; E169-R172 IonicContact OE2-CZ 3.12Å; E169-R172 IonicContact OE2-NH1 3.76Å; E169-R172 PolarHBondContact OE2-NH1 3.49Å; A170-R172 PolarHBondContact O-N 3.41Å |
| 173 | R | 95.9 | Very high | 96.7 | Very high | 119 Ų | 119 | 66.6 Ų | 66.6 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.9 | 177.8 | -62.5 | -90.1 | 176.7 | 169 | -4.2 | 113.2 | L140 T141 E169 A170 H171 V175 | L140-R173 PolarHBondContact O-NE 2.81Å; L140-R173 VanDerWaalsContact O-NE 3.13Å; L140-R173 PolarHBondContact O-NH1 2.95Å; L140-R173 PolarHBondContact O-NH2 3.48Å; T141-R173 VanDerWaalsContact C-NH2 3.34Å; T141-R173 VanDerWaalsContact CA-NH2 3.29Å; T141-R173 PolarHBondContact O-NH2 3.31Å; E169-R173 HydrophobicContact CG-CG 4.44Å; E169-R173 WeakPolarHBondContact O-CB 3.32Å; E169-R173 WeakPolarHBondContact O-CG 3.22Å; E169-R173 PolarHBondContact O-N 2.86Å; E169-R173 IonicContact OE1-CZ 3.5Å; E169-R173 IonicContact OE1-NE 3.34Å; E169-R173 PolarHBondContact OE1-NE 3.4Å; E169-R173 IonicContact OE1-NH2 3.56Å; E169-R173 PolarHBondContact OE1-NH2 3.44Å; A170-R173 CarbonylContact O-C 3.6Å; A170-R173 PolarHBondContact O-N 3.42Å; H171-R173 PolarHBondContact O-N 2.91Å; R173-V175 VanDerWaalsContact C-N 3.28Å; R173-V175 HydrophobicContact CB-CG2 3.87Å; R173-V175 PolarHBondContact O-N 2.86Å |
| 174 | G | 96.2 | Very high | 96.7 | Very high | 73 Ų | 73 | 70.1 Ų | 70.1 | 75% | 0.753 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 24 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | A170 H171 | A170-G174 PolarHBondContact O-N 3.04Å; A170-G174 VanDerWaalsContact O-N 3.15Å; H171-G174 PolarHBondContact O-N 2.79Å |
| 175 | V | 97.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | trans | -86.4 | 129.2 | -179.6 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | L140 V147 L150 A170 R173 V177 | L140-V175 HydrophobicContact CD2-CG2 4.09Å; V147-V175 HydrophobicContact CB-CG2 4.04Å; V147-V175 HydrophobicContact CG1-CB 4.27Å; V147-V175 HydrophobicContact CG1-CG1 3.61Å; V147-V175 HydrophobicContact CG1-CG2 3.59Å; L150-V175 HydrophobicContact CB-CG1 4.33Å; A170-V175 HydrophobicContact CB-CB 4.06Å; A170-V175 HydrophobicContact CB-CG1 4.37Å; A170-V175 WeakPolarHBondContact O-CB 3.4Å; A170-V175 PolarHBondContact O-N 2.91Å; R173-V175 VanDerWaalsContact C-N 3.28Å; R173-V175 HydrophobicContact CB-CG2 3.87Å; R173-V175 PolarHBondContact O-N 2.86Å; V175-V177 PolarHBondContact O-N 2.88Å | ||
| 176 | Q | 96.9 | Very high | 96.8 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | trans | -62.6 | 132 | 176 | -173 | -178.6 | 44.6 | 0 | 0 | 110.9 | L150 | L150-Q176 PolarHBondContact N-O 2.85Š| ||
| 177 | V | 97 | Very high | 96.7 | Very high | 49 Ų | 49 | 75 Ų | 75 | 30% | 0.297 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.3 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L150 V152 A170 V175 | L150-V177 HydrophobicContact CB-CG2 4.22Å; L150-V177 HydrophobicContact CD2-CG1 4.1Å; L150-V177 HydrophobicContact CD2-CG2 4.03Å; L150-V177 CarbonylContact O-C 3.56Å; L150-V177 WeakPolarHBondContact O-CA 3.43Å; V152-V177 HydrophobicContact CG2-CG1 3.85Å; A170-V177 HydrophobicContact CB-CG2 4.02Å; V175-V177 PolarHBondContact O-N 2.88Å |
| 178 | S | 96 | Very high | 96.7 | Very high | 30 Ų | 30 | 77.6 Ų | 77.6 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.5 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | Q149 L150 L151 V152 | Q149-S178 PolarHBondContact NE2-OG 3.02Å; L150-S178 PolarHBondContact O-N 2.88Å; L151-S178 WeakPolarHBondContact CA-O 3.28Å; V152-S178 PolarHBondContact N-O 3.42Å |
| 179 | R | 95.7 | Very high | 96.6 | Very high | 102 Ų | 102 | 74.7 Ų | 74.7 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.7 | 174.4 | -59 | -60.3 | -174.8 | -172 | 2.5 | 109.6 | V152 S158 | V152-R179 CarbonylContact O-C 3.54Å; V152-R179 WeakPolarHBondContact O-CA 3.47Å; S158-R179 VanDerWaalsContact CB-NH1 3.27Å |
| 180 | V | 96.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 17% | 0.17 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.7 | -178 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | L151 V152 K153 D154 L185 | L151-V180 HydrophobicContact CB-CG2 4.08Å; L151-V180 HydrophobicContact CD2-CG1 4Å; V152-V180 PolarHBondContact O-N 2.94Å; K153-V180 CarbonylContact C-O 3.56Å; K153-V180 WeakPolarHBondContact CA-O 3.15Å; D154-V180 PolarHBondContact N-O 3.38Å; V180-L185 HydrophobicContact CG2-CD1 4.12Å; V180-L185 HydrophobicContact CG2-CD2 3.45Å; V180-L185 VanDerWaalsContact CG2-CD2 3.45Å; V180-L185 HydrophobicContact CG2-CG 3.64Å |
| 181 | S | 96.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 82.2 Ų | 82.2 | 36% | 0.357 | 43% | 0.431 | S | S | . | . | trans | -71.2 | 158.5 | 177.7 | 82.6 | 0 | 0 | 0 | 0 | 111.5 | K183 D184 L185 | S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.09Å; S181-K183 PolarHBondContact OG-N 2.74Å; S181-D184 WeakPolarHBondContact CB-OD2 3.27Å; S181-D184 PolarHBondContact N-OD2 3.04Å; S181-D184 PolarHBondContact O-N 3.31Å; S181-D184 PolarHBondContact OG-N 2.88Å; S181-D184 VanDerWaalsContact OG-N 3.14Å; S181-D184 PolarHBondContact OG-OD2 3.22Å; S181-L185 PolarHBondContact O-N 3.34Å | ||
| 182 | K | 95.3 | Very high | 96.1 | Very high | 117 Ų | 117 | 76.5 Ų | 76.5 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 172 | -171.8 | -164.9 | 169.3 | -168.3 | 0 | 111.3 | K153 D184 L185 D186 | K153-K182 HydrophobicContact CD-CB 4.29Å; K153-K182 HydrophobicContact CD-CG 4.5Å; K153-K182 HydrophobicContact CG-CB 4.39Å; K182-D184 VanDerWaalsContact C-N 3.27Å; K182-D184 PolarHBondContact O-N 2.84Å; K182-L185 PolarHBondContact O-N 2.99Å; K182-L185 VanDerWaalsContact O-N 3.16Å; K182-D186 WeakPolarHBondContact CE-OD2 3.5Å; K182-D186 PolarHBondContact O-N 3.32Å |
| 183 | K | 96.7 | Very high | 96 | Very high | 165 Ų | 165 | 74.6 Ų | 74.6 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.4 | -38.5 | -178.3 | -174.6 | -179 | 178.4 | -177.2 | 0 | 111.7 | S181 K187 | S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.09Å; S181-K183 PolarHBondContact OG-N 2.74Å; K183-K187 WeakPolarHBondContact O-CB 3.36Å; K183-K187 PolarHBondContact O-N 2.94Å |
| 184 | D | 96.5 | Very high | 96 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 40% | 0.396 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 176.9 | -58.6 | -41.7 | 0 | 0 | 0 | 111 | S181 K182 D186 K187 M188 | S181-D184 WeakPolarHBondContact CB-OD2 3.27Å; S181-D184 PolarHBondContact N-OD2 3.04Å; S181-D184 PolarHBondContact O-N 3.31Å; S181-D184 PolarHBondContact OG-N 2.88Å; S181-D184 VanDerWaalsContact OG-N 3.14Å; S181-D184 PolarHBondContact OG-OD2 3.22Å; K182-D184 VanDerWaalsContact C-N 3.27Å; K182-D184 PolarHBondContact O-N 2.84Å; D184-D186 PolarHBondContact O-N 3.39Å; D184-K187 PolarHBondContact O-N 3Å; D184-M188 WeakPolarHBondContact O-CB 3.43Å; D184-M188 WeakPolarHBondContact O-CG 3.43Å; D184-M188 PolarHBondContact O-N 3.01Å |
| 185 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.4 | -64.3 | 178 | 0 | 0 | 0 | 112.3 | L151 K153 V180 S181 K182 K187 M188 T189 C198 | L151-L185 HydrophobicContact CB-CD2 4.15Å; K153-L185 HydrophobicContact CB-CD1 3.63Å; K153-L185 HydrophobicContact CG-CD1 4.3Å; V180-L185 HydrophobicContact CG2-CD1 4.12Å; V180-L185 HydrophobicContact CG2-CD2 3.45Å; V180-L185 VanDerWaalsContact CG2-CD2 3.45Å; V180-L185 HydrophobicContact CG2-CG 3.64Å; S181-L185 PolarHBondContact O-N 3.34Å; K182-L185 PolarHBondContact O-N 2.99Å; K182-L185 VanDerWaalsContact O-N 3.16Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.11Å; L185-M188 PolarHBondContact O-N 2.83Å; L185-T189 WeakPolarHBondContact O-CB 3.47Å; L185-T189 WeakPolarHBondContact O-CG2 3.41Å; L185-T189 PolarHBondContact O-N 2.82Å; L185-T189 PolarHBondContact O-OG1 2.88Å; L185-C198 HydrophobicContact CD2-CB 3.88Å |
| 186 | D | 96.9 | Very high | 96 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.3 | -72.5 | -33.1 | 0 | 0 | 0 | 110.2 | K182 D184 T189 S190 G191 H194 | K182-D186 WeakPolarHBondContact CE-OD2 3.5Å; K182-D186 PolarHBondContact O-N 3.32Å; D184-D186 PolarHBondContact O-N 3.39Å; D186-T189 PolarHBondContact O-N 2.96Å; D186-T189 PolarHBondContact O-OG1 3.17Å; D186-S190 PolarHBondContact O-N 2.77Å; D186-G191 PolarHBondContact O-N 2.83Å; D186-H194 IonicContact OD1-CD2 3.3Å; D186-H194 PolarHBondContact OD1-CD2 3.13Å; D186-H194 IonicContact OD1-NE2 3.47Å; D186-H194 PolarHBondContact OD1-NE2 3.07Å |
| 187 | K | 97 | Very high | 96 | Very high | 174 Ų | 174 | 63 Ų | 63 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 176.9 | -175.5 | -178.7 | 177.7 | -174.9 | 0 | 112.1 | K183 D184 L185 T189 S190 | K183-K187 WeakPolarHBondContact O-CB 3.36Å; K183-K187 PolarHBondContact O-N 2.94Å; D184-K187 PolarHBondContact O-N 3Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.11Å; K187-T189 PolarHBondContact O-N 3.26Å; K187-S190 PolarHBondContact O-N 2.62Å |
| 188 | M | 95.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -22.2 | -177.9 | -70.8 | 176.4 | 82 | 0 | 0 | 113.4 | I129 L151 D184 L185 | I129-M188 HydrophobicContact CD1-CE 3.53Å; I129-M188 HydrophobicContact CG1-CB 4.37Å; I129-M188 HydrophobicContact CG1-CE 4.08Å; I129-M188 HydrophobicContact CG2-CB 4.37Å; L151-M188 HydrophobicContact CD1-CE 3.28Å; L151-M188 HydrophobicContact CD1-SD 3.79Å; D184-M188 WeakPolarHBondContact O-CB 3.43Å; D184-M188 WeakPolarHBondContact O-CG 3.43Å; D184-M188 PolarHBondContact O-N 3.01Å; L185-M188 PolarHBondContact O-N 2.83Å |
| 189 | T | 96.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 8.8 | -179.4 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | I129 F131 L185 D186 K187 G191 G192 H194 C198 | I129-T189 HydrophobicContact CG2-CG2 3.99Å; F131-T189 HydrophobicContact CB-CG2 3.55Å; F131-T189 HydrophobicContact CD1-CG2 3.72Å; F131-T189 HydrophobicContact CD2-CG2 4.4Å; F131-T189 HydrophobicContact CG-CG2 3.65Å; L185-T189 WeakPolarHBondContact O-CB 3.47Å; L185-T189 WeakPolarHBondContact O-CG2 3.41Å; L185-T189 PolarHBondContact O-N 2.82Å; L185-T189 PolarHBondContact O-OG1 2.88Å; D186-T189 PolarHBondContact O-N 2.96Å; D186-T189 PolarHBondContact O-OG1 3.17Å; K187-T189 PolarHBondContact O-N 3.26Å; T189-G191 PolarHBondContact O-N 3.34Å; T189-G192 PolarHBondContact O-N 2.72Å; T189-G192 PolarHBondContact OG1-N 3.24Å; T189-G192 PolarHBondContact OG1-O 3.03Å; T189-H194 HydrophobicContact CG2-CB 4.1Å; T189-C198 WeakPolarHBondContact CG2-SG 3.46Å |
| 190 | S | 94.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 57.5 Ų | 57.5 | 83% | 0.832 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.3 | -176.5 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | D186 K187 | D186-S190 PolarHBondContact O-N 2.77Å; K187-S190 PolarHBondContact O-N 2.62Å |
| 191 | G | 93.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 9.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D186 T189 | D186-G191 PolarHBondContact O-N 2.83Å; T189-G191 PolarHBondContact O-N 3.34Å |
| 192 | G | 93.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -63.2 | 153.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T189 H194 | T189-G192 PolarHBondContact O-N 2.72Å; T189-G192 PolarHBondContact OG1-N 3.24Å; T189-G192 PolarHBondContact OG1-O 3.03Å; G192-H194 VanDerWaalsContact C-N 3.31Å; G192-H194 PolarHBondContact O-CD2 2.66Å; G192-H194 PolarHBondContact O-N 3.46Å | ||
| 193 | V | 95.3 | Very high | 96.5 | Very high | 104 Ų | 104 | 51.4 Ų | 51.4 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | trans | -75.3 | 80.9 | -178.9 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | Q195 K266 | V193-Q195 HydrophobicContact CG1-CG 4.18Å; V193-Q195 PolarHBondContact O-N 3.09Å; V193-K266 WeakPolarHBondContact O-CE 3.23Å; V193-K266 PolarHBondContact O-NZ 3.23Å | ||
| 194 | H | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.06 | 25% | 0.254 | C | S | . | . | trans | -77.8 | -16.6 | -173 | 62.3 | 87.3 | 0 | 0 | 0 | 114.7 | F131 G132 D186 T189 G192 G196 V197 | F131-H194 HydrophobicContact CB-CB 4.01Å; G132-H194 VanDerWaalsContact CA-O 3.3Å; G132-H194 WeakPolarHBondContact CA-O 3.28Å; G132-H194 PolarHBondContact N-O 3.4Å; D186-H194 IonicContact OD1-CD2 3.3Å; D186-H194 PolarHBondContact OD1-CD2 3.13Å; D186-H194 IonicContact OD1-NE2 3.47Å; D186-H194 PolarHBondContact OD1-NE2 3.07Å; T189-H194 HydrophobicContact CG2-CB 4.1Å; G192-H194 VanDerWaalsContact C-N 3.31Å; G192-H194 PolarHBondContact O-CD2 2.66Å; G192-H194 PolarHBondContact O-N 3.46Å; H194-G196 WeakPolarHBondContact ND1-CA 3.46Å; H194-G196 PolarHBondContact ND1-N 3.12Å; H194-G196 PolarHBondContact O-N 3.24Å; H194-V197 PolarHBondContact O-N 3.4Å; H194-V197 VanDerWaalsContact O-N 3.08Å | ||
| 195 | Q | 95.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 22.1 | 178.2 | -56.1 | 171.3 | -0.3 | 0 | 0 | 114.4 | I133 V193 K266 | I133-Q195 HydrophobicContact CD1-CB 4.07Å; I133-Q195 HydrophobicContact CG1-CB 4.18Å; V193-Q195 HydrophobicContact CG1-CG 4.18Å; V193-Q195 PolarHBondContact O-N 3.09Å; Q195-K266 VanDerWaalsContact CD-NZ 3.31Å |
| 196 | G | 96.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V152 K153 H194 | V152-G196 WeakPolarHBondContact CA-O 3.43Å; K153-G196 PolarHBondContact N-O 3.44Å; H194-G196 WeakPolarHBondContact ND1-CA 3.46Å; H194-G196 PolarHBondContact ND1-N 3.12Å; H194-G196 PolarHBondContact O-N 3.24Å |
| 197 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 129.2 | -178.5 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | G132 I133 C136 L150 V163 V166 H194 | G132-V197 PolarHBondContact N-O 3.17Å; I133-V197 HydrophobicContact CG1-CG2 4.22Å; C136-V197 HydrophobicContact CB-CG1 4.01Å; L150-V197 HydrophobicContact CD1-CG1 3.72Å; V163-V197 HydrophobicContact CB-CG2 4.24Å; V163-V197 HydrophobicContact CG1-CG2 3.76Å; V163-V197 HydrophobicContact CG2-CG2 3.8Å; V166-V197 HydrophobicContact CG1-CG1 4.06Å; H194-V197 PolarHBondContact O-N 3.4Å; H194-V197 VanDerWaalsContact O-N 3.08Å |
| 198 | C | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.5 | 170 | -71.5 | 0 | 0 | 0 | 0 | 110.1 | I129 V130 L151 L185 T189 | I129-C198 HydrophobicContact CG2-CB 3.78Å; V130-C198 CarbonylContact O-C 3.55Å; V130-C198 VanDerWaalsContact O-CA 3.27Å; V130-C198 WeakPolarHBondContact O-CA 3.42Å; L151-C198 HydrophobicContact CB-CB 4.18Å; L151-C198 HydrophobicContact CD1-CB 4.45Å; L151-C198 PolarHBondContact N-O 2.92Å; L151-C198 PolarHBondContact O-N 3.42Å; L185-C198 HydrophobicContact CD2-CB 3.88Å; T189-C198 WeakPolarHBondContact CG2-SG 3.46Å |
| 199 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120 | 177.7 | -173 | 75.2 | 0 | 0 | 0 | 108.2 | V130 C136 A139 L140 V147 L150 A201 | V130-L199 HydrophobicContact CB-CB 4.27Å; V130-L199 PolarHBondContact N-O 3.32Å; V130-L199 PolarHBondContact O-N 2.9Å; C136-L199 HydrophobicContact CB-CB 4.17Å; A139-L199 HydrophobicContact CB-CD2 3.64Å; L140-L199 HydrophobicContact CD1-CD1 4.46Å; L140-L199 HydrophobicContact CD2-CD1 4.03Å; L140-L199 HydrophobicContact CD2-CD2 4.45Å; L140-L199 HydrophobicContact CG-CD1 4.18Å; L140-L199 HydrophobicContact CG-CD2 4.1Å; V147-L199 HydrophobicContact CG1-CD1 3.56Å; V147-L199 HydrophobicContact CG1-CD2 4.28Å; V147-L199 HydrophobicContact CG1-CG 4.07Å; V147-L199 HydrophobicContact CG2-CD2 4.23Å; L150-L199 HydrophobicContact CB-CD1 4.19Å; L150-L199 HydrophobicContact CD1-CB 4.45Å; L150-L199 HydrophobicContact CD1-CD1 3.75Å; L199-A201 HydrophobicContact CD2-CB 4.42Å; L199-A201 HydrophobicContact CG-CB 4.46Å |
| 200 | R | 98.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 25% | 0.249 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.4 | 172.4 | -170.1 | 178.9 | 173.2 | -130 | -6.3 | 108.2 | D125 A127 I129 Y148 Q149 | D125-R200 IonicContact OD1-NH2 2.89Å; D125-R200 PolarHBondContact OD1-NH2 2.92Å; D125-R200 IonicContact OD2-CZ 3.69Å; D125-R200 IonicContact OD2-NH2 2.72Å; D125-R200 PolarHBondContact OD2-NH2 2.97Å; A127-R200 HydrophobicContact CB-CG 3.9Å; I129-R200 HydrophobicContact CD1-CB 4.07Å; I129-R200 HydrophobicContact CD1-CG 3.99Å; Y148-R200 WeakPolarHBondContact CB-O 3.38Å; Y148-R200 HydrophobicContact CD2-CG 4.19Å; Y148-R200 PolarHBondContact N-O 3.3Å; Q149-R200 HydrophobicContact CB-CB 4.31Å; Q149-R200 PolarHBondContact N-O 3.09Å; Q149-R200 PolarHBondContact O-N 3.02Å |
| 201 | A | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 166.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112 | A127 E128 R145 K146 L199 | A127-A201 CarbonylContact C-O 3.47Å; A127-A201 WeakPolarHBondContact CA-O 3.36Å; E128-A201 PolarHBondContact N-O 3.49Å; E128-A201 PolarHBondContact O-N 3.42Å; R145-A201 HydrophobicContact CB-CB 4.11Å; K146-A201 CarbonylContact O-C 3.53Å; K146-A201 VanDerWaalsContact O-CA 3.23Å; K146-A201 WeakPolarHBondContact O-CA 3.27Å; L199-A201 HydrophobicContact CD2-CB 4.42Å; L199-A201 HydrophobicContact CG-CB 4.46Å |
| 202 | S | 97.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -65 | 157.6 | 170 | 67.5 | 0 | 0 | 0 | 0 | 111 | R145 K146 Y148 | R145-S202 PolarHBondContact NH1-O 3.37Å; K146-S202 PolarHBondContact N-OG 3.36Å; K146-S202 PolarHBondContact O-N 2.85Å; Y148-S202 VanDerWaalsContact CE2-N 3.34Å |
| 203 | P | 96.8 | Very high | 88 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 152.7 | 173.4 | -20.4 | 34.9 | 0 | 0 | 0 | 111.1 | T126 | T126-P203 WeakPolarHBondContact O-CD 3.48Å; T126-P203 WeakPolarHBondContact O-CG 3.45Å |
| 204 | L | 95.4 | Very high | 85.9 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 119.6 | 170.9 | -172.3 | 71.5 | 0 | 0 | 0 | 108.6 | R144 R145 L260 M272 | R144-L204 HydrophobicContact CB-CD1 3.84Å; R145-L204 HydrophobicContact CG-CD1 4.26Å; R145-L204 VanDerWaalsContact CZ-CB 3.43Å; R145-L204 VanDerWaalsContact NH1-N 3.15Å; L204-L260 HydrophobicContact CD2-CD1 4.38Å; L204-L260 HydrophobicContact CG-CD1 4.45Å; L204-M272 HydrophobicContact CB-CE 4.49Å; L204-M272 HydrophobicContact CD2-CE 3.81Å; L204-M272 HydrophobicContact CD2-CG 3.95Å; L204-M272 WeakPolarHBondContact CD2-O 3.38Å |
| 205 | N | 93.4 | Very high | 83.8 | Confident | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 151 | -179.5 | -63.8 | -41.4 | 0 | 0 | 0 | 111.2 | ||
| 206 | F | 94.8 | Very high | 81.5 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -57 | 143.2 | 165.1 | -70 | -81.7 | 0 | 0 | 0 | 110.1 | L254 L260 V277 | F206-L254 HydrophobicContact CB-CD2 4.03Å; F206-L254 HydrophobicContact CD2-CD2 3.55Å; F206-L254 HydrophobicContact CE2-CD2 4.14Å; F206-L254 HydrophobicContact CG-CD2 3.85Å; F206-L260 HydrophobicContact CD1-CD1 3.92Å; F206-L260 HydrophobicContact CD1-CD2 4.43Å; F206-L260 HydrophobicContact CD1-CG 4.08Å; F206-L260 HydrophobicContact CD2-CG 4.31Å; F206-L260 HydrophobicContact CE1-CD1 4.08Å; F206-L260 HydrophobicContact CE1-CD2 3.76Å; F206-L260 HydrophobicContact CE1-CG 3.75Å; F206-L260 HydrophobicContact CE2-CG 4.01Å; F206-L260 HydrophobicContact CG-CD1 4.14Å; F206-L260 HydrophobicContact CG-CG 4.35Å; F206-L260 HydrophobicContact CZ-CD1 4.45Å; F206-L260 HydrophobicContact CZ-CD2 3.9Å; F206-L260 HydrophobicContact CZ-CG 3.71Å; F206-V277 HydrophobicContact CD1-CB 4.37Å; F206-V277 HydrophobicContact CD1-CG1 3.81Å; F206-V277 HydrophobicContact CE1-CG1 3.72Å |
| 207 | L | 92.9 | Very high | 79.5 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 148.7 | 170.8 | -60.2 | -178.6 | 0 | 0 | 0 | 110.1 | R276 V277 Y278 G279 | L207-R276 HydrophobicContact CD1-CB 3.74Å; L207-R276 HydrophobicContact CD1-CG 3.71Å; L207-V277 PolarHBondContact N-O 2.78Å; L207-Y278 HydrophobicContact CB-CD1 3.58Å; L207-Y278 HydrophobicContact CB-CE1 3.79Å; L207-Y278 HydrophobicContact CB-CG 4.31Å; L207-Y278 HydrophobicContact CD1-CE1 4Å; L207-Y278 CarbonylContact O-C 3.6Å; L207-Y278 VanDerWaalsContact O-CA 3.27Å; L207-Y278 WeakPolarHBondContact O-CA 3.49Å; L207-G279 PolarHBondContact O-N 3.08Å |
| 208 | T | 87.8 | Confident | 77.3 | Confident | 126 Ų | 126 | 70 Ų | 70 | 77% | 0.773 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 134.6 | 171.3 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | D210 Y278 | T208-D210 PolarHBondContact O-N 2.93Å; T208-Y278 WeakPolarHBondContact O-CD1 3.42Å |
| 209 | F | 78.1 | Confident | 75.7 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 8% | 0.079 | 43% | 0.425 | C | S | . | . | trans | -79.9 | 104.6 | 176.3 | -176.3 | -97.8 | 0 | 0 | 0 | 110.3 | W223 I251 Y278 M286 K290 | F209-W223 HydrophobicContact CE2-CE3 4.47Å; F209-W223 HydrophobicContact CE2-CH2 4.19Å; F209-W223 AromaticContact CE2-CZ3 3.82Å; F209-W223 HydrophobicContact CE2-CZ3 3.82Å; F209-W223 HydrophobicContact CZ-CH2 4.01Å; F209-W223 AromaticContact CZ-CZ3 3.64Å; F209-W223 HydrophobicContact CZ-CZ3 3.64Å; F209-I251 HydrophobicContact CD2-CD1 3.99Å; F209-I251 HydrophobicContact CD2-CG1 4.22Å; F209-I251 HydrophobicContact CE2-CD1 3.65Å; F209-I251 HydrophobicContact CE2-CG1 4.33Å; F209-I251 HydrophobicContact CZ-CD1 4.42Å; F209-Y278 HydrophobicContact CD2-CG 4.38Å; F209-M286 HydrophobicContact CD1-CG 3.7Å; F209-M286 HydrophobicContact CE1-CG 3.53Å; F209-M286 HydrophobicContact CE1-SD 4.21Å; F209-M286 HydrophobicContact CG-CG 4.4Å; F209-M286 HydrophobicContact CZ-CG 4.12Å; F209-M286 HydrophobicContact CZ-SD 4.21Å; F209-K290 HydrophobicContact CD1-CD 3.86Å; F209-K290 HydrophobicContact CE1-CB 3.86Å; F209-K290 HydrophobicContact CE1-CD 3.71Å; F209-K290 HydrophobicContact CE1-CG 4.42Å | ||
| 210 | D | 70.3 | Confident | 74.3 | Confident | 95 Ų | 95 | 78.1 Ų | 78.1 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | trans | -103.2 | 125.3 | 169.4 | -164.5 | -13 | 0 | 0 | 0 | 110.3 | T208 E212 S213 | T208-D210 PolarHBondContact O-N 2.93Å; D210-E212 PolarHBondContact O-N 2.93Å; D210-E212 PolarHBondContact OD1-N 3.16Å; D210-S213 PolarHBondContact O-OG 3.12Å | ||
| 211 | S | 57.7 | Low | 73.6 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.7 | -176.3 | 39.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 212 | E | 53.6 | Low | 73.1 | Confident | 166 Ų | 166 | 76 Ų | 76 | 78% | 0.776 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.1 | -170.9 | -60 | -151.1 | 156.4 | 0 | 0 | 114.9 | D210 D214 | D210-E212 PolarHBondContact O-N 2.93Å; D210-E212 PolarHBondContact OD1-N 3.16Å; E212-D214 PolarHBondContact O-N 3.43Å; E212-D214 VanDerWaalsContact O-N 3.09Å |
| 213 | S | 53.9 | Low | 72.8 | Confident | 53 Ų | 53 | 75.9 Ų | 75.9 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | trans | -79 | 104.1 | -178.6 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | D210 R249 | D210-S213 PolarHBondContact O-OG 3.12Å; S213-R249 PolarHBondContact O-NH2 3.15Å; S213-R249 VanDerWaalsContact OG-CZ 3.29Å; S213-R249 PolarHBondContact OG-NH1 3.34Å; S213-R249 PolarHBondContact OG-NH2 3.48Å | ||
| 214 | D | 51.3 | Low | 72.8 | Confident | 140 Ų | 140 | 73.7 Ų | 73.7 | 75% | 0.749 | 43% | 0.433 | S | S | * | . | trans | -43.7 | 136 | 178 | -88.2 | -37 | 0 | 0 | 0 | 114.5 | E212 S216 | E212-D214 PolarHBondContact O-N 3.43Å; E212-D214 VanDerWaalsContact O-N 3.09Å; D214-S216 PolarHBondContact O-N 2.66Å | ||
| 215 | T | 52.4 | Low | 72.8 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 44% | 0.436 | 43% | 0.431 | S | S | . | . | trans | -81.1 | 90.6 | 164.7 | 41.3 | 0 | 0 | 0 | 0 | 109.1 | G217 P221 | T215-G217 PolarHBondContact O-N 3.27Å; T215-P221 HydrophobicContact CG2-CB 3.72Å; T215-P221 HydrophobicContact CG2-CG 3.64Å | ||
| 216 | S | 47.8 | Very low | 73 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 86% | 0.86 | 40% | 0.4 | S | S | * | . | trans | -75.8 | 32.1 | 177.3 | -26.9 | 0 | 0 | 0 | 0 | 113.3 | D214 | D214-S216 PolarHBondContact O-N 2.66Š| ||
| 217 | G | 54.2 | Low | 73 | Confident | 49 Ų | 49 | 66.1 Ų | 66.1 | 51% | 0.505 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -117.2 | 142.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T215 G219 | T215-G217 PolarHBondContact O-N 3.27Å; G217-G219 PolarHBondContact O-N 2.87Å |
| 218 | H | 52.8 | Low | 73.1 | Confident | 214 Ų | 214 | 65.4 Ų | 65.4 | 99% | 0.991 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -71.1 | 108.5 | 167.9 | -63.7 | -64.5 | 0 | 0 | 0 | 109.7 | ||
| 219 | G | 64.4 | Low | 73.5 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 63% | 0.629 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 129.9 | 178 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | G217 | G217-G219 PolarHBondContact O-N 2.87Š|
| 220 | V | 69.6 | Low | 74.4 | Confident | 109 Ų | 109 | 64.9 Ų | 64.9 | 66% | 0.661 | 38% | 0.377 | S | S | * | . | trans | -81.6 | 119.2 | 171.8 | -178 | 0 | 0 | 0 | 0 | 108.2 | T295 | V220-T295 WeakPolarHBondContact CG1-OG1 3.27Š| ||
| 221 | P | 82.8 | Confident | 75.6 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 10% | 0.104 | 37% | 0.368 | C | S | . | . | trans | -67.6 | 141 | -176.7 | 27.8 | -34.6 | 0 | 0 | 0 | 111.2 | T215 D248 P294 T295 | T215-P221 HydrophobicContact CG2-CB 3.72Å; T215-P221 HydrophobicContact CG2-CG 3.64Å; P221-D248 VanDerWaalsContact CA-OD2 3.22Å; P221-D248 WeakPolarHBondContact CA-OD2 3.44Å; P221-D248 HydrophobicContact CB-CB 4.31Å; P221-P294 HydrophobicContact CG-CB 4.03Å; P221-T295 PolarHBondContact O-N 3.47Å | ||
| 222 | L | 88.2 | Confident | 77.5 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.6 | 173.5 | -179.7 | 64.6 | 0 | 0 | 0 | 110.2 | V247 D248 T295 L343 L346 L347 | L222-V247 HydrophobicContact CD2-CG2 4.42Å; L222-D248 PolarHBondContact N-OD2 3.36Å; L222-D248 PolarHBondContact O-N 3.37Å; L222-T295 CarbonylContact C-O 3.56Å; L222-T295 WeakPolarHBondContact CA-O 3.43Å; L222-T295 HydrophobicContact CD1-CG2 3.81Å; L222-T295 WeakPolarHBondContact CD1-O 3.04Å; L222-L343 HydrophobicContact CD2-CD2 3.82Å; L222-L346 HydrophobicContact CD1-CD1 4.5Å; L222-L347 HydrophobicContact CB-CD2 4.19Å; L222-L347 HydrophobicContact CD2-CD1 3.86Å; L222-L347 HydrophobicContact CD2-CD2 3.63Å; L222-L347 HydrophobicContact CD2-CG 3.58Å |
| 223 | W | 91.8 | Very high | 79.6 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141.5 | 174.1 | -59.6 | 0.6 | 0 | 0 | 0 | 110.3 | F209 R249 I251 V291 P294 T295 M296 L297 | F209-W223 HydrophobicContact CE2-CE3 4.47Å; F209-W223 HydrophobicContact CE2-CH2 4.19Å; F209-W223 AromaticContact CE2-CZ3 3.82Å; F209-W223 HydrophobicContact CE2-CZ3 3.82Å; F209-W223 HydrophobicContact CZ-CH2 4.01Å; F209-W223 AromaticContact CZ-CZ3 3.64Å; F209-W223 HydrophobicContact CZ-CZ3 3.64Å; W223-R249 CarbonylContact C-O 3.47Å; W223-R249 WeakPolarHBondContact CA-O 3.3Å; W223-R249 HydrophobicContact CB-CB 4.41Å; W223-R249 HydrophobicContact CD2-CB 4.31Å; W223-R249 HydrophobicContact CG-CB 3.94Å; W223-R249 HydrophobicContact CG-CG 4.45Å; W223-I251 HydrophobicContact CE3-CD1 3.81Å; W223-I251 HydrophobicContact CZ3-CD1 4.34Å; W223-V291 HydrophobicContact CZ3-CG2 4.38Å; W223-P294 HydrophobicContact CD2-CB 3.6Å; W223-P294 HydrophobicContact CD2-CG 3.66Å; W223-P294 HydrophobicContact CE3-CB 4.11Å; W223-P294 HydrophobicContact CE3-CG 3.62Å; W223-P294 HydrophobicContact CG-CB 3.86Å; W223-P294 HydrophobicContact CG-CG 4.35Å; W223-P294 HydrophobicContact CH2-CG 3.86Å; W223-P294 HydrophobicContact CZ2-CB 4.03Å; W223-P294 HydrophobicContact CZ2-CG 3.88Å; W223-P294 HydrophobicContact CZ3-CG 3.72Å; W223-T295 PolarHBondContact N-O 3.21Å; W223-M296 HydrophobicContact CB-CG 4.23Å; W223-M296 HydrophobicContact CE3-CE 3.98Å; W223-M296 HydrophobicContact CE3-SD 4.18Å; W223-M296 WeakPolarHBondContact O-CA 3.4Å; W223-L297 PolarHBondContact O-N 3.06Å |
| 224 | L | 95.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.9 | 174.1 | 179 | 63.8 | 0 | 0 | 0 | 109 | L226 I238 A242 V247 R249 V250 I251 L297 V299 T339 L343 | L224-L226 HydrophobicContact CD1-CD2 3.98Å; L224-L226 HydrophobicContact CD2-CD2 3.98Å; L224-L226 HydrophobicContact CG-CD2 3.73Å; L224-L226 HydrophobicContact CG-CG 4.24Å; L224-I238 HydrophobicContact CD2-CG2 3.59Å; L224-A242 HydrophobicContact CD2-CB 3.98Å; L224-V247 HydrophobicContact CB-CG1 3.79Å; L224-R249 PolarHBondContact N-O 3.14Å; L224-V250 HydrophobicContact CB-CG2 4.27Å; L224-V250 HydrophobicContact CD2-CG2 4.28Å; L224-V250 CarbonylContact O-C 3.6Å; L224-V250 WeakPolarHBondContact O-CA 3.32Å; L224-I251 PolarHBondContact O-N 2.91Å; L224-L297 HydrophobicContact CD1-CB 4.27Å; L224-L297 HydrophobicContact CD1-CD2 4.08Å; L224-L297 HydrophobicContact CD1-CG 4.17Å; L224-V299 HydrophobicContact CD1-CG2 3.84Å; L224-T339 HydrophobicContact CD1-CG2 4.05Å; L224-T339 HydrophobicContact CD2-CG2 4.12Å; L224-L343 HydrophobicContact CD2-CD1 4.35Å |
| 225 | V | 95.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.4 | 177 | -179 | 0 | 0 | 0 | 0 | 109.6 | I251 L283 M286 M296 L297 L298 V299 | V225-I251 CarbonylContact C-O 3.54Å; V225-I251 WeakPolarHBondContact CA-O 3.32Å; V225-I251 HydrophobicContact CG2-CB 4.34Å; V225-I251 HydrophobicContact CG2-CD1 4.25Å; V225-L283 HydrophobicContact CG1-CD1 3.92Å; V225-L283 HydrophobicContact CG1-CD2 3.79Å; V225-L283 HydrophobicContact CG1-CG 4.36Å; V225-M286 HydrophobicContact CG1-CE 4.45Å; V225-M286 HydrophobicContact CG2-CE 4.36Å; V225-M296 HydrophobicContact CG2-CE 3.21Å; V225-L297 PolarHBondContact N-O 2.94Å; V225-L298 HydrophobicContact CB-CD1 4.13Å; V225-L298 HydrophobicContact CB-CG 3.97Å; V225-L298 HydrophobicContact CG1-CG 4.27Å; V225-L298 HydrophobicContact CG2-CD1 4.27Å; V225-L298 CarbonylContact O-C 3.59Å; V225-L298 WeakPolarHBondContact O-CA 3.42Å; V225-V299 PolarHBondContact O-N 3.32Å |
| 226 | L | 96.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.4 | -175.7 | -56.9 | -177.3 | 0 | 0 | 0 | 109.4 | L224 I229 L235 I238 V250 I251 S252 S253 V299 | L224-L226 HydrophobicContact CD1-CD2 3.98Å; L224-L226 HydrophobicContact CD2-CD2 3.98Å; L224-L226 HydrophobicContact CG-CD2 3.73Å; L224-L226 HydrophobicContact CG-CG 4.24Å; L226-I229 HydrophobicContact CB-CG1 3.87Å; L226-I229 HydrophobicContact CD2-CG1 4.4Å; L226-I229 HydrophobicContact CG-CG1 4.49Å; L226-L235 HydrophobicContact CD1-CD1 3.6Å; L226-I238 HydrophobicContact CD1-CG2 3.95Å; L226-I238 HydrophobicContact CD2-CD1 4.49Å; L226-I238 HydrophobicContact CD2-CG2 4.04Å; L226-V250 HydrophobicContact CD1-CG1 3.74Å; L226-V250 HydrophobicContact CG-CG1 4.19Å; L226-I251 PolarHBondContact N-O 3.45Å; L226-S252 WeakPolarHBondContact O-CA 3.46Å; L226-S253 PolarHBondContact O-N 2.88Å; L226-S253 VanDerWaalsContact O-N 3.13Å; L226-V299 HydrophobicContact CD2-CB 4.09Å |
| 227 | E | 95 | Very high | 88.6 | Confident | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -109.7 | 122.7 | 175.3 | -171.1 | -174.3 | -154.6 | 0 | 0 | 110 | I229 L283 V299 G300 S301 L306 S307 L310 | E227-I229 PolarHBondContact O-N 3.26Å; E227-L283 HydrophobicContact CB-CD1 3.91Å; E227-L283 HydrophobicContact CG-CD1 4.12Å; E227-V299 PolarHBondContact N-O 2.96Å; E227-G300 CarbonylContact O-C 3.47Å; E227-G300 WeakPolarHBondContact O-CA 3.26Å; E227-S301 PolarHBondContact O-N 3.18Å; E227-L306 HydrophobicContact CB-CD2 4.06Å; E227-L306 VanDerWaalsContact OE2-CA 3.24Å; E227-L306 WeakPolarHBondContact OE2-CA 3.4Å; E227-L306 WeakPolarHBondContact OE2-CD2 3.36Å; E227-S307 VanDerWaalsContact OE1-CB 3.22Å; E227-S307 WeakPolarHBondContact OE1-CB 3.48Å; E227-S307 PolarHBondContact OE1-OG 2.79Å; E227-S307 PolarHBondContact OE2-N 3.16Å; E227-S307 PolarHBondContact OE2-OG 3.01Å; E227-L310 HydrophobicContact CB-CD1 3.84Å; E227-L310 HydrophobicContact CG-CD1 3.85Å; E227-L310 WeakPolarHBondContact OE2-CD1 3.33Å |
| 228 | R | 94.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 56.7 | 38.7 | 174.1 | -64.5 | -169.7 | -66.2 | -65.6 | -13.4 | 115.1 | Q230 S253 H256 S257 S301 E304 G305 S307 | R228-Q230 PolarHBondContact O-N 3.45Å; R228-S253 PolarHBondContact N-OG 2.9Å; R228-H256 VanDerWaalsContact CA-O 3.28Å; R228-H256 WeakPolarHBondContact CA-O 3.27Å; R228-H256 HydrophobicContact CG-CB 3.87Å; R228-S257 WeakPolarHBondContact CA-OG 3.44Å; R228-S257 PolarHBondContact N-OG 3.37Å; R228-S301 WeakPolarHBondContact O-CB 3.48Å; R228-E304 IonicContact CZ-OE2 2.62Å; R228-E304 IonicContact NE-OE2 3.32Å; R228-E304 PolarHBondContact NE-OE2 3.31Å; R228-G305 PolarHBondContact NH2-O 3.02Å; R228-S307 VanDerWaalsContact NH2-N 3.15Å |
| 229 | I | 96.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | trans | -77.9 | 104.2 | 171.3 | -55.1 | -57.9 | 0 | 0 | 0 | 108.4 | L226 E227 N234 L235 I238 S257 C258 V335 | L226-I229 HydrophobicContact CB-CG1 3.87Å; L226-I229 HydrophobicContact CD2-CG1 4.4Å; L226-I229 HydrophobicContact CG-CG1 4.49Å; E227-I229 PolarHBondContact O-N 3.26Å; I229-N234 HydrophobicContact CG2-CB 4.34Å; I229-L235 HydrophobicContact CG2-CB 3.94Å; I229-I238 HydrophobicContact CD1-CD1 4.37Å; I229-I238 HydrophobicContact CG1-CD1 4.49Å; I229-I238 HydrophobicContact CG2-CD1 4.39Å; I229-S257 PolarHBondContact N-OG 2.74Å; I229-S257 CarbonylContact O-C 3.53Å; I229-S257 WeakPolarHBondContact O-CA 3.41Å; I229-C258 PolarHBondContact O-N 2.97Å; I229-C258 PolarHBondContact O-SG 2.82Å; I229-V335 HydrophobicContact CD1-CG1 4.38Å; I229-V335 HydrophobicContact CD1-CG2 3.9Å | ||
| 230 | Q | 96.1 | Very high | 94.5 | Very high | 130 Ų | 130 | 33.8 Ų | 33.8 | 61% | 0.607 | 17% | 0.171 | S | C | * | . | trans | -98 | -25 | -170.5 | -68.6 | 173.7 | 54 | 0 | 0 | 114.3 | R228 H256 C258 | R228-Q230 PolarHBondContact O-N 3.45Å; Q230-H256 VanDerWaalsContact CG-O 3.28Å; Q230-H256 WeakPolarHBondContact CG-O 3.41Å; Q230-C258 WeakPolarHBondContact O-CB 3.33Å | ||
| 231 | D | 96.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 32% | 0.316 | 15% | 0.152 | S | C | . | . | trans | -87 | 123.9 | 179.6 | 166.9 | 35.7 | 0 | 0 | 0 | 110.6 | M233 N234 L235 | D231-M233 PolarHBondContact O-N 2.73Å; D231-M233 PolarHBondContact OD1-N 3.05Å; D231-M233 WeakPolarHBondContact OD2-CB 3.5Å; D231-N234 HydrophobicContact CB-CB 4.07Å; D231-N234 PolarHBondContact O-N 3.08Å; D231-N234 WeakPolarHBondContact OD2-CB 3.37Å; D231-N234 VanDerWaalsContact OD2-CG 3.22Å; D231-N234 PolarHBondContact OD2-N 3.03Å; D231-N234 PolarHBondContact OD2-ND2 3.48Å; D231-L235 PolarHBondContact O-N 3.39Å | ||
| 232 | P | 97.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 29.6 Ų | 29.6 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.2 | -26.9 | 177.5 | 26.3 | -36.5 | 0 | 0 | 0 | 113.7 | G236 V263 V264 | P232-G236 PolarHBondContact O-N 3.14Å; P232-V263 HydrophobicContact CB-CB 4.19Å; P232-V263 HydrophobicContact CB-CG1 3.9Å; P232-V263 HydrophobicContact CG-CB 4.48Å; P232-V263 HydrophobicContact CG-CG1 3.91Å; P232-V264 HydrophobicContact CB-CG2 3.52Å |
| 233 | M | 97.6 | Very high | 97 | Very high | 108 Ų | 108 | 35.4 Ų | 35.4 | 53% | 0.532 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -69.9 | -47.4 | 177.5 | -60.5 | -60.2 | -62.8 | 0 | 0 | 110.5 | D231 G236 A237 V263 A267 | D231-M233 PolarHBondContact O-N 2.73Å; D231-M233 PolarHBondContact OD1-N 3.05Å; D231-M233 WeakPolarHBondContact OD2-CB 3.5Å; M233-G236 PolarHBondContact O-N 3.41Å; M233-A237 WeakPolarHBondContact O-CB 3.19Å; M233-A237 PolarHBondContact O-N 3.26Å; M233-V263 HydrophobicContact SD-CG1 4.34Å; M233-A267 HydrophobicContact CE-CB 4.11Å; M233-A267 HydrophobicContact SD-CB 3.85Å |
| 234 | N | 98 | Very high | 97.2 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 171.9 | -81.1 | -27.9 | 0 | 0 | 0 | 112.7 | I229 D231 G236 A237 I238 E302 N334 V335 | I229-N234 HydrophobicContact CG2-CB 4.34Å; D231-N234 HydrophobicContact CB-CB 4.07Å; D231-N234 PolarHBondContact O-N 3.08Å; D231-N234 WeakPolarHBondContact OD2-CB 3.37Å; D231-N234 VanDerWaalsContact OD2-CG 3.22Å; D231-N234 PolarHBondContact OD2-N 3.03Å; D231-N234 PolarHBondContact OD2-ND2 3.48Å; N234-G236 VanDerWaalsContact C-N 3.33Å; N234-G236 PolarHBondContact O-N 3.28Å; N234-A237 PolarHBondContact O-N 2.86Å; N234-I238 WeakPolarHBondContact O-CB 3.35Å; N234-I238 VanDerWaalsContact O-CG1 3.26Å; N234-I238 WeakPolarHBondContact O-CG1 3.45Å; N234-I238 PolarHBondContact O-N 2.86Å; N234-E302 PolarHBondContact ND2-OE1 3.27Å; N234-E302 PolarHBondContact ND2-OE2 3.34Å; N234-N334 PolarHBondContact OD1-ND2 2.85Å; N234-N334 PolarHBondContact OD1-OD1 3.39Å; N234-V335 HydrophobicContact CB-CG1 3.9Å |
| 235 | L | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 177.9 | 179.8 | 60.6 | 0 | 0 | 0 | 111.2 | L226 I229 D231 A237 I238 L239 C258 L260 V264 | L226-L235 HydrophobicContact CD1-CD1 3.6Å; I229-L235 HydrophobicContact CG2-CB 3.94Å; D231-L235 PolarHBondContact O-N 3.39Å; L235-A237 PolarHBondContact O-N 3.5Å; L235-I238 PolarHBondContact O-N 2.61Å; L235-L239 HydrophobicContact CD1-CD1 4.34Å; L235-L239 HydrophobicContact CD1-CD2 4.43Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CG-CD1 4.15Å; L235-L239 HydrophobicContact CG-CG 4.32Å; L235-L239 WeakPolarHBondContact O-CG 3.33Å; L235-L239 PolarHBondContact O-N 2.85Å; L235-C258 VanDerWaalsContact CB-SG 3.54Å; L235-C258 WeakPolarHBondContact CD2-SG 3.39Å; L235-L260 HydrophobicContact CD2-CD2 4.21Å; L235-V264 HydrophobicContact CB-CG1 4.33Å; L235-V264 HydrophobicContact CD2-CG1 3.89Å; L235-V264 HydrophobicContact CD2-CG2 4.11Å; L235-V264 HydrophobicContact CG-CG1 3.89Å |
| 236 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P232 M233 N234 L239 R240 S268 | P232-G236 PolarHBondContact O-N 3.14Å; M233-G236 PolarHBondContact O-N 3.41Å; N234-G236 VanDerWaalsContact C-N 3.33Å; N234-G236 PolarHBondContact O-N 3.28Å; G236-L239 PolarHBondContact O-N 3.42Å; G236-R240 WeakPolarHBondContact O-CB 3.28Å; G236-R240 PolarHBondContact O-N 3Å; G236-S268 VanDerWaalsContact O-CA 3.27Å; G236-S268 WeakPolarHBondContact O-CA 3.5Å; G236-S268 VanDerWaalsContact O-CB 3.23Å; G236-S268 WeakPolarHBondContact O-CB 3.44Å |
| 237 | A | 98.6 | Very high | 96.8 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 26% | 0.256 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.3 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M233 N234 L235 S241 | M233-A237 WeakPolarHBondContact O-CB 3.19Å; M233-A237 PolarHBondContact O-N 3.26Å; N234-A237 PolarHBondContact O-N 2.86Å; L235-A237 PolarHBondContact O-N 3.5Å; A237-S241 WeakPolarHBondContact O-CB 3.45Å; A237-S241 PolarHBondContact O-N 2.94Å; A237-S241 PolarHBondContact O-OG 3.15Å |
| 238 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.7 | -52.3 | 173.8 | -72.1 | 167.1 | 0 | 0 | 0 | 110.6 | L224 L226 I229 N234 L235 R240 S241 A242 V335 T339 | L224-I238 HydrophobicContact CD2-CG2 3.59Å; L226-I238 HydrophobicContact CD1-CG2 3.95Å; L226-I238 HydrophobicContact CD2-CD1 4.49Å; L226-I238 HydrophobicContact CD2-CG2 4.04Å; I229-I238 HydrophobicContact CD1-CD1 4.37Å; I229-I238 HydrophobicContact CG1-CD1 4.49Å; I229-I238 HydrophobicContact CG2-CD1 4.39Å; N234-I238 WeakPolarHBondContact O-CB 3.35Å; N234-I238 VanDerWaalsContact O-CG1 3.26Å; N234-I238 WeakPolarHBondContact O-CG1 3.45Å; N234-I238 PolarHBondContact O-N 2.86Å; L235-I238 PolarHBondContact O-N 2.61Å; I238-R240 VanDerWaalsContact C-N 3.29Å; I238-R240 PolarHBondContact O-N 2.91Å; I238-S241 PolarHBondContact O-N 2.76Å; I238-S241 VanDerWaalsContact O-N 3.14Å; I238-A242 VanDerWaalsContact O-CB 3.32Å; I238-A242 WeakPolarHBondContact O-CB 3.44Å; I238-A242 PolarHBondContact O-N 3.14Å; I238-V335 HydrophobicContact CD1-CG1 4.34Å; I238-V335 HydrophobicContact CD1-CG2 4.4Å; I238-T339 HydrophobicContact CG1-CG2 4.28Å; I238-T339 HydrophobicContact CG2-CG2 4.04Å |
| 239 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | -179.6 | -69.7 | 179.5 | 0 | 0 | 0 | 111.6 | L235 G236 S241 A242 Y243 V250 V264 V271 M272 M275 V277 | L235-L239 HydrophobicContact CD1-CD1 4.34Å; L235-L239 HydrophobicContact CD1-CD2 4.43Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CG-CD1 4.15Å; L235-L239 HydrophobicContact CG-CG 4.32Å; L235-L239 WeakPolarHBondContact O-CG 3.33Å; L235-L239 PolarHBondContact O-N 2.85Å; G236-L239 PolarHBondContact O-N 3.42Å; L239-S241 PolarHBondContact O-N 2.9Å; L239-A242 PolarHBondContact O-N 2.84Å; L239-Y243 WeakPolarHBondContact O-CB 3.45Å; L239-Y243 PolarHBondContact O-N 3.16Å; L239-V250 HydrophobicContact CD2-CB 4.25Å; L239-V250 HydrophobicContact CD2-CG1 3.86Å; L239-V250 HydrophobicContact CD2-CG2 4.17Å; L239-V264 HydrophobicContact CD1-CG1 3.91Å; L239-V271 WeakPolarHBondContact O-CG1 3.46Å; L239-M272 HydrophobicContact CD1-CB 4.16Å; L239-M272 HydrophobicContact CD1-CG 4.07Å; L239-M275 HydrophobicContact CD2-SD 4.22Å; L239-V277 HydrophobicContact CD1-CG2 4.26Å; L239-V277 HydrophobicContact CD2-CG2 3.69Å |
| 240 | R | 98.4 | Very high | 96.2 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 49% | 0.494 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.7 | -175.5 | 176.2 | -179.9 | 165.9 | 5.3 | 112 | G236 I238 F244 S269 V271 | G236-R240 WeakPolarHBondContact O-CB 3.28Å; G236-R240 PolarHBondContact O-N 3Å; I238-R240 VanDerWaalsContact C-N 3.29Å; I238-R240 PolarHBondContact O-N 2.91Å; R240-F244 WeakPolarHBondContact O-CB 3.41Å; R240-F244 PolarHBondContact O-N 3.38Å; R240-F244 VanDerWaalsContact O-N 3.08Å; R240-S269 PolarHBondContact NH1-OG 2.83Å; R240-V271 HydrophobicContact CG-CG2 4.35Å |
| 241 | S | 98.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | A237 I238 L239 F244 L245 | A237-S241 WeakPolarHBondContact O-CB 3.45Å; A237-S241 PolarHBondContact O-N 2.94Å; A237-S241 PolarHBondContact O-OG 3.15Å; I238-S241 PolarHBondContact O-N 2.76Å; I238-S241 VanDerWaalsContact O-N 3.14Å; L239-S241 PolarHBondContact O-N 2.9Å; S241-F244 PolarHBondContact O-N 3.35Å; S241-L245 WeakPolarHBondContact O-CB 3.36Å; S241-L245 VanDerWaalsContact O-CG 3.29Å; S241-L245 WeakPolarHBondContact O-CG 3.35Å; S241-L245 PolarHBondContact O-N 3.49Å |
| 242 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L224 I238 L239 L245 G246 V247 V250 M275 L343 | L224-A242 HydrophobicContact CD2-CB 3.98Å; I238-A242 VanDerWaalsContact O-CB 3.32Å; I238-A242 WeakPolarHBondContact O-CB 3.44Å; I238-A242 PolarHBondContact O-N 3.14Å; L239-A242 PolarHBondContact O-N 2.84Å; A242-L245 PolarHBondContact O-N 3.03Å; A242-G246 PolarHBondContact O-N 3.42Å; A242-G246 VanDerWaalsContact O-N 3.09Å; A242-V247 HydrophobicContact CB-CB 3.9Å; A242-V247 HydrophobicContact CB-CG1 4.37Å; A242-V247 HydrophobicContact CB-CG2 3.82Å; A242-V247 WeakPolarHBondContact O-CB 3.41Å; A242-V247 PolarHBondContact O-N 2.83Å; A242-V250 HydrophobicContact CB-CG2 4.11Å; A242-M275 HydrophobicContact CB-CE 3.8Å; A242-M275 HydrophobicContact CB-SD 4.2Å; A242-L343 HydrophobicContact CB-CD1 4.2Å |
| 243 | Y | 97 | Very high | 95.9 | Very high | 129 Ų | 129 | 39 Ų | 39 | 51% | 0.506 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 175.8 | -176.8 | -90.1 | 0 | 0 | 0 | 112.2 | L239 L245 G246 V271 A274 M275 | L239-Y243 WeakPolarHBondContact O-CB 3.45Å; L239-Y243 PolarHBondContact O-N 3.16Å; Y243-L245 VanDerWaalsContact C-N 3.34Å; Y243-L245 PolarHBondContact O-N 2.97Å; Y243-G246 PolarHBondContact O-N 3.45Å; Y243-V271 HydrophobicContact CD1-CG1 4.36Å; Y243-V271 HydrophobicContact CD1-CG2 4.2Å; Y243-V271 HydrophobicContact CD2-CG1 4.07Å; Y243-V271 HydrophobicContact CG-CG1 3.68Å; Y243-V271 HydrophobicContact CG-CG2 4.34Å; Y243-A274 HydrophobicContact CE2-CB 4.22Å; Y243-M275 HydrophobicContact CD2-CB 4.12Å; Y243-M275 HydrophobicContact CD2-CG 4.37Å |
| 244 | F | 96.1 | Very high | 95.6 | Very high | 174 Ų | 174 | 37.6 Ų | 37.6 | 76% | 0.763 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.5 | -38.6 | -178.4 | -178.2 | -95.7 | 0 | 0 | 0 | 112.8 | R240 S241 G246 | R240-F244 WeakPolarHBondContact O-CB 3.41Å; R240-F244 PolarHBondContact O-N 3.38Å; R240-F244 VanDerWaalsContact O-N 3.08Å; S241-F244 PolarHBondContact O-N 3.35Å; F244-G246 VanDerWaalsContact C-N 3.35Å |
| 245 | L | 94.7 | Very high | 95.3 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.8 | -17.1 | -178.6 | -66.9 | 170.1 | 0 | 0 | 0 | 112.9 | S241 A242 Y243 L343 H344 L347 R351 | S241-L245 WeakPolarHBondContact O-CB 3.36Å; S241-L245 VanDerWaalsContact O-CG 3.29Å; S241-L245 WeakPolarHBondContact O-CG 3.35Å; S241-L245 PolarHBondContact O-N 3.49Å; A242-L245 PolarHBondContact O-N 3.03Å; Y243-L245 VanDerWaalsContact C-N 3.34Å; Y243-L245 PolarHBondContact O-N 2.97Å; L245-L343 HydrophobicContact CD1-CB 3.47Å; L245-L343 VanDerWaalsContact CD1-CB 3.47Å; L245-L343 HydrophobicContact CD1-CD1 4.29Å; L245-H344 HydrophobicContact CD1-CB 4.38Å; L245-H344 HydrophobicContact CD2-CB 4.43Å; L245-L347 HydrophobicContact CB-CD1 3.67Å; L245-L347 WeakPolarHBondContact O-CD1 3.42Å; L245-R351 PolarHBondContact O-NH2 2.65Å |
| 246 | G | 92 | Very high | 94.9 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A242 Y243 F244 | A242-G246 PolarHBondContact O-N 3.42Å; A242-G246 VanDerWaalsContact O-N 3.09Å; Y243-G246 PolarHBondContact O-N 3.45Å; F244-G246 VanDerWaalsContact C-N 3.35Å |
| 247 | V | 93.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | trans | -68.6 | 128.2 | 167.8 | 171.8 | 0 | 0 | 0 | 0 | 109.3 | L222 L224 A242 R249 V250 M275 L343 | L222-V247 HydrophobicContact CD2-CG2 4.42Å; L224-V247 HydrophobicContact CB-CG1 3.79Å; A242-V247 HydrophobicContact CB-CB 3.9Å; A242-V247 HydrophobicContact CB-CG1 4.37Å; A242-V247 HydrophobicContact CB-CG2 3.82Å; A242-V247 WeakPolarHBondContact O-CB 3.41Å; A242-V247 PolarHBondContact O-N 2.83Å; V247-R249 VanDerWaalsContact CG1-O 3.28Å; V247-R249 WeakPolarHBondContact CG1-O 3.36Å; V247-V250 HydrophobicContact CG1-CG2 4.16Å; V247-M275 HydrophobicContact CB-CE 4.14Å; V247-M275 HydrophobicContact CG1-CE 4.29Å; V247-L343 HydrophobicContact CG2-CD1 3.93Å; V247-L343 HydrophobicContact CG2-CD2 3.58Å; V247-L343 HydrophobicContact CG2-CG 4.35Å | ||
| 248 | D | 88.9 | Confident | 94.5 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 47% | 0.465 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -71.9 | -39.9 | -174.9 | -60.9 | -84.3 | 0 | 0 | 0 | 112.6 | P221 L222 | P221-D248 VanDerWaalsContact CA-OD2 3.22Å; P221-D248 WeakPolarHBondContact CA-OD2 3.44Å; P221-D248 HydrophobicContact CB-CB 4.31Å; L222-D248 PolarHBondContact N-OD2 3.36Å; L222-D248 PolarHBondContact O-N 3.37Å |
| 249 | R | 89.4 | Confident | 94.4 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 138.7 | -178.1 | -60.5 | -171.1 | -176.7 | -123.7 | -1 | 111.4 | S213 W223 L224 V247 Y278 | S213-R249 PolarHBondContact O-NH2 3.15Å; S213-R249 VanDerWaalsContact OG-CZ 3.29Å; S213-R249 PolarHBondContact OG-NH1 3.34Å; S213-R249 PolarHBondContact OG-NH2 3.48Å; W223-R249 CarbonylContact C-O 3.47Å; W223-R249 WeakPolarHBondContact CA-O 3.3Å; W223-R249 HydrophobicContact CB-CB 4.41Å; W223-R249 HydrophobicContact CD2-CB 4.31Å; W223-R249 HydrophobicContact CG-CB 3.94Å; W223-R249 HydrophobicContact CG-CG 4.45Å; L224-R249 PolarHBondContact N-O 3.14Å; V247-R249 VanDerWaalsContact CG1-O 3.28Å; V247-R249 WeakPolarHBondContact CG1-O 3.36Å; R249-Y278 HydrophobicContact CB-CD2 4.45Å; R249-Y278 HydrophobicContact CB-CE2 4.28Å; R249-Y278 HydrophobicContact CG-CE2 4.13Å; R249-Y278 PolarHBondContact NH1-OH 3.02Å |
| 250 | V | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.5 | 167.5 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | L224 L226 L239 A242 V247 M275 V277 Y278 | L224-V250 HydrophobicContact CB-CG2 4.27Å; L224-V250 HydrophobicContact CD2-CG2 4.28Å; L224-V250 CarbonylContact O-C 3.6Å; L224-V250 WeakPolarHBondContact O-CA 3.32Å; L226-V250 HydrophobicContact CD1-CG1 3.74Å; L226-V250 HydrophobicContact CG-CG1 4.19Å; L239-V250 HydrophobicContact CD2-CB 4.25Å; L239-V250 HydrophobicContact CD2-CG1 3.86Å; L239-V250 HydrophobicContact CD2-CG2 4.17Å; A242-V250 HydrophobicContact CB-CG2 4.11Å; V247-V250 HydrophobicContact CG1-CG2 4.16Å; V250-M275 HydrophobicContact CG2-CE 3.33Å; V250-M275 HydrophobicContact CG2-SD 3.78Å; V250-V277 HydrophobicContact CB-CG1 4.41Å; V250-V277 HydrophobicContact CG1-CG1 4.11Å; V250-V277 WeakPolarHBondContact O-CA 3.38Å; V250-Y278 WeakPolarHBondContact O-CD2 3.31Å; V250-Y278 PolarHBondContact O-N 2.82Å |
| 251 | I | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.8 | 178.9 | -53.9 | 162.4 | 0 | 0 | 0 | 107.4 | F209 W223 L224 V225 L226 Y278 C280 L283 M286 M296 | F209-I251 HydrophobicContact CD2-CD1 3.99Å; F209-I251 HydrophobicContact CD2-CG1 4.22Å; F209-I251 HydrophobicContact CE2-CD1 3.65Å; F209-I251 HydrophobicContact CE2-CG1 4.33Å; F209-I251 HydrophobicContact CZ-CD1 4.42Å; W223-I251 HydrophobicContact CE3-CD1 3.81Å; W223-I251 HydrophobicContact CZ3-CD1 4.34Å; L224-I251 PolarHBondContact O-N 2.91Å; V225-I251 CarbonylContact C-O 3.54Å; V225-I251 WeakPolarHBondContact CA-O 3.32Å; V225-I251 HydrophobicContact CG2-CB 4.34Å; V225-I251 HydrophobicContact CG2-CD1 4.25Å; L226-I251 PolarHBondContact N-O 3.45Å; I251-Y278 CarbonylContact C-O 3.59Å; I251-Y278 WeakPolarHBondContact CA-O 3.35Å; I251-C280 HydrophobicContact CG2-CB 4.3Å; I251-L283 HydrophobicContact CG2-CD2 3.89Å; I251-M286 HydrophobicContact CB-CE 4.44Å; I251-M286 HydrophobicContact CD1-CE 4Å; I251-M286 HydrophobicContact CD1-SD 4.12Å; I251-M286 HydrophobicContact CG2-CE 3.75Å; I251-M296 HydrophobicContact CD1-CE 4.47Å |
| 252 | S | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.9 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | L226 Y278 G279 C280 | L226-S252 WeakPolarHBondContact O-CA 3.46Å; S252-Y278 PolarHBondContact N-O 2.83Å; S252-G279 WeakPolarHBondContact O-CA 3.33Å; S252-C280 PolarHBondContact O-N 2.82Å |
| 253 | S | 92.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 138.1 | 164.8 | 64.3 | 0 | 0 | 0 | 0 | 109.8 | L226 R228 R255 S257 C280 | L226-S253 PolarHBondContact O-N 2.88Å; L226-S253 VanDerWaalsContact O-N 3.13Å; R228-S253 PolarHBondContact N-OG 2.9Å; S253-R255 VanDerWaalsContact C-N 3.32Å; S253-R255 PolarHBondContact OG-O 3.39Å; S253-S257 VanDerWaalsContact O-CB 3.26Å; S253-S257 WeakPolarHBondContact O-CB 3.28Å; S253-S257 PolarHBondContact O-OG 3.03Å; S253-S257 PolarHBondContact OG-OG 3.4Å; S253-C280 CarbonylContact C-O 3.55Å; S253-C280 WeakPolarHBondContact CA-O 3.27Å |
| 254 | L | 92.6 | Very high | 94.3 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 41% | 0.408 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.6 | -26.1 | 172.8 | -70.7 | 175.5 | 0 | 0 | 0 | 111.8 | F206 C280 | F206-L254 HydrophobicContact CB-CD2 4.03Å; F206-L254 HydrophobicContact CD2-CD2 3.55Å; F206-L254 HydrophobicContact CE2-CD2 4.14Å; F206-L254 HydrophobicContact CG-CD2 3.85Å; L254-C280 PolarHBondContact N-O 2.87Å |
| 255 | R | 90.5 | Very high | 94.4 | Very high | 152 Ų | 152 | 38.2 Ų | 38.2 | 57% | 0.574 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -96.3 | 142.6 | 178.3 | -57.4 | 179.4 | -156.7 | -115.1 | -8.9 | 110.3 | S253 S257 D281 | S253-R255 VanDerWaalsContact C-N 3.32Å; S253-R255 PolarHBondContact OG-O 3.39Å; R255-S257 PolarHBondContact O-N 2.99Å; R255-S257 VanDerWaalsContact O-N 3.1Å; R255-D281 IonicContact CZ-OD1 2.97Å; R255-D281 IonicContact NE-OD1 3.92Å; R255-D281 IonicContact NH2-OD1 2.85Å; R255-D281 PolarHBondContact NH2-OD1 2.81Å |
| 256 | H | 90.6 | Very high | 94.6 | Very high | 146 Ų | 146 | 38.8 Ų | 38.8 | 68% | 0.676 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 57.4 | 22.8 | 174.2 | -51.6 | -72.4 | 0 | 0 | 0 | 114.4 | R228 Q230 | R228-H256 VanDerWaalsContact CA-O 3.28Å; R228-H256 WeakPolarHBondContact CA-O 3.27Å; R228-H256 HydrophobicContact CG-CB 3.87Å; Q230-H256 VanDerWaalsContact CG-O 3.28Å; Q230-H256 WeakPolarHBondContact CG-O 3.41Å |
| 257 | S | 94.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -123.6 | 156.8 | 173.1 | -67.8 | 0 | 0 | 0 | 0 | 109.6 | R228 I229 S253 R255 | R228-S257 WeakPolarHBondContact CA-OG 3.44Å; R228-S257 PolarHBondContact N-OG 3.37Å; I229-S257 PolarHBondContact N-OG 2.74Å; I229-S257 CarbonylContact O-C 3.53Å; I229-S257 WeakPolarHBondContact O-CA 3.41Å; S253-S257 VanDerWaalsContact O-CB 3.26Å; S253-S257 WeakPolarHBondContact O-CB 3.28Å; S253-S257 PolarHBondContact O-OG 3.03Å; S253-S257 PolarHBondContact OG-OG 3.4Å; R255-S257 PolarHBondContact O-N 2.99Å; R255-S257 VanDerWaalsContact O-N 3.1Å |
| 258 | C | 94.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | trans | -69.6 | 143.1 | 177.7 | 62 | 0 | 0 | 0 | 0 | 111.5 | I229 Q230 L235 | I229-C258 PolarHBondContact O-N 2.97Å; I229-C258 PolarHBondContact O-SG 2.82Å; Q230-C258 WeakPolarHBondContact O-CB 3.33Å; L235-C258 VanDerWaalsContact CB-SG 3.54Å; L235-C258 WeakPolarHBondContact CD2-SG 3.39Å | ||
| 259 | P | 95.7 | Very high | 95.6 | Very high | 87 Ų | 87 | 35.3 Ų | 35.3 | 57% | 0.565 | 19% | 0.188 | S | C | * | . | trans | -71.2 | 163.3 | 174.8 | 31 | -35.4 | 0 | 0 | 0 | 111.2 | S261 | P259-S261 PolarHBondContact O-N 3.12Š| ||
| 260 | L | 97.1 | Very high | 96 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -72.6 | 69.8 | 172.7 | -59.7 | -176.2 | 0 | 0 | 0 | 111.5 | L204 F206 L235 M272 V277 | L204-L260 HydrophobicContact CD2-CD1 4.38Å; L204-L260 HydrophobicContact CG-CD1 4.45Å; F206-L260 HydrophobicContact CD1-CD1 3.92Å; F206-L260 HydrophobicContact CD1-CD2 4.43Å; F206-L260 HydrophobicContact CD1-CG 4.08Å; F206-L260 HydrophobicContact CD2-CG 4.31Å; F206-L260 HydrophobicContact CE1-CD1 4.08Å; F206-L260 HydrophobicContact CE1-CD2 3.76Å; F206-L260 HydrophobicContact CE1-CG 3.75Å; F206-L260 HydrophobicContact CE2-CG 4.01Å; F206-L260 HydrophobicContact CG-CD1 4.14Å; F206-L260 HydrophobicContact CG-CG 4.35Å; F206-L260 HydrophobicContact CZ-CD1 4.45Å; F206-L260 HydrophobicContact CZ-CD2 3.9Å; F206-L260 HydrophobicContact CZ-CG 3.71Å; L235-L260 HydrophobicContact CD2-CD2 4.21Å; L260-M272 HydrophobicContact CB-CE 4.26Å; L260-M272 HydrophobicContact CB-CG 4.5Å; L260-M272 HydrophobicContact CB-SD 3.74Å; L260-M272 HydrophobicContact CD2-CG 4.21Å; L260-M272 HydrophobicContact CD2-SD 4.07Å; L260-M272 HydrophobicContact CG-SD 4.45Å; L260-V277 HydrophobicContact CD1-CB 4.21Å; L260-V277 HydrophobicContact CD2-CB 4.44Å; L260-V277 HydrophobicContact CD2-CG1 4.34Å |
| 261 | S | 97.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | trans | -85.7 | 165.2 | -174.7 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | P259 V263 V264 S265 M272 | P259-S261 PolarHBondContact O-N 3.12Å; S261-V263 PolarHBondContact O-N 2.69Å; S261-V263 VanDerWaalsContact O-N 3.12Å; S261-V263 PolarHBondContact OG-N 3Å; S261-V264 WeakPolarHBondContact O-CB 3.15Å; S261-V264 PolarHBondContact O-N 3.44Å; S261-V264 PolarHBondContact OG-N 2.87Å; S261-S265 PolarHBondContact O-N 3.32Å; S261-M272 WeakPolarHBondContact O-CE 3.39Å | ||
| 262 | P | 98.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.6 | -30.2 | 170.7 | -32.2 | 39.8 | 0 | 0 | 0 | 114.5 | E128 I129 F131 S265 K266 | E128-P262 HydrophobicContact CB-CG 4.1Å; E128-P262 VanDerWaalsContact CD-CG 3.49Å; E128-P262 HydrophobicContact CG-CG 3.96Å; E128-P262 WeakPolarHBondContact OE1-CD 3.46Å; E128-P262 WeakPolarHBondContact OE1-CG 3.48Å; E128-P262 WeakPolarHBondContact OE2-CD 3.47Å; I129-P262 WeakPolarHBondContact O-CB 3.45Å; I129-P262 WeakPolarHBondContact O-CG 3.22Å; F131-P262 HydrophobicContact CD1-CB 4.14Å; F131-P262 HydrophobicContact CE1-CB 3.9Å; P262-S265 WeakPolarHBondContact O-CB 3.29Å; P262-S265 PolarHBondContact O-N 3.37Å; P262-K266 WeakPolarHBondContact O-CB 3.48Å; P262-K266 PolarHBondContact O-N 2.83Å |
| 263 | V | 98.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 35 Ų | 35 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | F131 P232 M233 S261 K266 A267 | F131-V263 HydrophobicContact CZ-CG2 4.43Å; P232-V263 HydrophobicContact CB-CB 4.19Å; P232-V263 HydrophobicContact CB-CG1 3.9Å; P232-V263 HydrophobicContact CG-CB 4.48Å; P232-V263 HydrophobicContact CG-CG1 3.91Å; M233-V263 HydrophobicContact SD-CG1 4.34Å; S261-V263 PolarHBondContact O-N 2.69Å; S261-V263 VanDerWaalsContact O-N 3.12Å; S261-V263 PolarHBondContact OG-N 3Å; V263-K266 WeakPolarHBondContact O-CB 3.42Å; V263-K266 PolarHBondContact O-N 2.86Å; V263-A267 WeakPolarHBondContact O-CB 3.27Å; V263-A267 PolarHBondContact O-N 3.47Å |
| 264 | V | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | P232 L235 L239 S261 K266 A267 S268 M272 | P232-V264 HydrophobicContact CB-CG2 3.52Å; L235-V264 HydrophobicContact CB-CG1 4.33Å; L235-V264 HydrophobicContact CD2-CG1 3.89Å; L235-V264 HydrophobicContact CD2-CG2 4.11Å; L235-V264 HydrophobicContact CG-CG1 3.89Å; L239-V264 HydrophobicContact CD1-CG1 3.91Å; S261-V264 WeakPolarHBondContact O-CB 3.15Å; S261-V264 PolarHBondContact O-N 3.44Å; S261-V264 PolarHBondContact OG-N 2.87Å; V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 PolarHBondContact O-N 3.04Å; V264-A267 PolarHBondContact O-N 3.3Å; V264-S268 VanDerWaalsContact O-CB 3.28Å; V264-S268 WeakPolarHBondContact O-CB 3.36Å; V264-S268 PolarHBondContact O-N 3.01Å; V264-S268 PolarHBondContact O-OG 3.29Å; V264-M272 HydrophobicContact CB-SD 3.56Å; V264-M272 VanDerWaalsContact CB-SD 3.56Å; V264-M272 HydrophobicContact CG1-CG 4.29Å; V264-M272 HydrophobicContact CG1-SD 3.46Å; V264-M272 WeakPolarHBondContact CG1-SD 3.1Å |
| 265 | S | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -45.6 | 172.7 | -158.5 | 0 | 0 | 0 | 0 | 110.8 | S261 P262 S268 S269 G270 E273 | S261-S265 PolarHBondContact O-N 3.32Å; P262-S265 WeakPolarHBondContact O-CB 3.29Å; P262-S265 PolarHBondContact O-N 3.37Å; S265-S268 PolarHBondContact O-OG 2.86Å; S265-S269 PolarHBondContact O-N 3.36Å; S265-G270 WeakPolarHBondContact O-CA 3.43Å; S265-G270 PolarHBondContact O-N 3.4Å; S265-E273 WeakPolarHBondContact CB-OE1 3.49Å; S265-E273 WeakPolarHBondContact OG-CG 3.45Å; S265-E273 PolarHBondContact OG-OE1 3.16Å |
| 266 | K | 98.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 32.4 Ų | 32.4 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -51.3 | 177.3 | -177.5 | 66.8 | -176.7 | -170.8 | 0 | 112.8 | F131 P135 V193 Q195 P262 V263 V264 S268 S269 | F131-K266 HydrophobicContact CD2-CB 4.45Å; F131-K266 HydrophobicContact CD2-CD 4.05Å; F131-K266 HydrophobicContact CD2-CG 4.25Å; F131-K266 HydrophobicContact CE2-CB 3.86Å; F131-K266 HydrophobicContact CE2-CD 4.01Å; F131-K266 HydrophobicContact CE2-CG 3.69Å; F131-K266 HydrophobicContact CZ-CB 4.15Å; F131-K266 HydrophobicContact CZ-CG 4.4Å; F131-K266 WeakPolarHBondContact O-CD 3.42Å; P135-K266 HydrophobicContact CG-CD 4.28Å; V193-K266 WeakPolarHBondContact O-CE 3.23Å; V193-K266 PolarHBondContact O-NZ 3.23Å; Q195-K266 VanDerWaalsContact CD-NZ 3.31Å; P262-K266 WeakPolarHBondContact O-CB 3.48Å; P262-K266 PolarHBondContact O-N 2.83Å; V263-K266 WeakPolarHBondContact O-CB 3.42Å; V263-K266 PolarHBondContact O-N 2.86Å; V264-K266 VanDerWaalsContact C-N 3.29Å; V264-K266 PolarHBondContact O-N 3.04Å; K266-S268 VanDerWaalsContact C-N 3.27Å; K266-S268 PolarHBondContact O-N 3.07Å; K266-S269 PolarHBondContact O-N 3.27Å |
| 267 | A | 98.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M233 V263 V264 S269 | M233-A267 HydrophobicContact CE-CB 4.11Å; M233-A267 HydrophobicContact SD-CB 3.85Å; V263-A267 WeakPolarHBondContact O-CB 3.27Å; V263-A267 PolarHBondContact O-N 3.47Å; V264-A267 PolarHBondContact O-N 3.3Å; A267-S269 PolarHBondContact O-N 3.49Å |
| 268 | S | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.1 | 175.9 | 68.9 | 0 | 0 | 0 | 0 | 114.5 | G236 V264 S265 K266 G270 V271 M272 | G236-S268 VanDerWaalsContact O-CA 3.27Å; G236-S268 WeakPolarHBondContact O-CA 3.5Å; G236-S268 VanDerWaalsContact O-CB 3.23Å; G236-S268 WeakPolarHBondContact O-CB 3.44Å; V264-S268 VanDerWaalsContact O-CB 3.28Å; V264-S268 WeakPolarHBondContact O-CB 3.36Å; V264-S268 PolarHBondContact O-N 3.01Å; V264-S268 PolarHBondContact O-OG 3.29Å; S265-S268 PolarHBondContact O-OG 2.86Å; K266-S268 VanDerWaalsContact C-N 3.27Å; K266-S268 PolarHBondContact O-N 3.07Å; S268-G270 PolarHBondContact O-N 3.43Å; S268-V271 WeakPolarHBondContact O-CB 3.42Å; S268-V271 WeakPolarHBondContact O-CG2 3.16Å; S268-V271 PolarHBondContact O-N 3.04Å; S268-V271 PolarHBondContact OG-N 3.44Å; S268-M272 PolarHBondContact OG-N 2.73Å; S268-M272 VanDerWaalsContact OG-N 3.15Å |
| 269 | S | 97.9 | Very high | 96.9 | Very high | 43 Ų | 43 | 25.5 Ų | 25.5 | 30% | 0.301 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.8 | -171.2 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | A134 R240 S265 K266 A267 V271 | A134-S269 WeakPolarHBondContact CB-O 3.49Å; R240-S269 PolarHBondContact NH1-OG 2.83Å; S265-S269 PolarHBondContact O-N 3.36Å; K266-S269 PolarHBondContact O-N 3.27Å; A267-S269 PolarHBondContact O-N 3.49Å; S269-V271 VanDerWaalsContact C-N 3.33Å |
| 270 | G | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L138 S265 S268 M272 E273 | L138-G270 VanDerWaalsContact CD1-C 3.43Å; L138-G270 VanDerWaalsContact CD1-O 3.28Å; L138-G270 WeakPolarHBondContact CD1-O 3.4Å; S265-G270 WeakPolarHBondContact O-CA 3.43Å; S265-G270 PolarHBondContact O-N 3.4Å; S268-G270 PolarHBondContact O-N 3.43Å; G270-M272 PolarHBondContact O-N 3.47Å; G270-M272 VanDerWaalsContact O-N 3.16Å; G270-E273 VanDerWaalsContact O-CB 3.28Å; G270-E273 WeakPolarHBondContact O-CB 3.36Å; G270-E273 WeakPolarHBondContact O-CG 3.45Å; G270-E273 PolarHBondContact O-N 3.47Å |
| 271 | V | 98.4 | Very high | 96.3 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.6 | -33.6 | 177.3 | 164.6 | 0 | 0 | 0 | 0 | 112 | L239 R240 Y243 S268 S269 E273 A274 M275 | L239-V271 WeakPolarHBondContact O-CG1 3.46Å; R240-V271 HydrophobicContact CG-CG2 4.35Å; Y243-V271 HydrophobicContact CD1-CG1 4.36Å; Y243-V271 HydrophobicContact CD1-CG2 4.2Å; Y243-V271 HydrophobicContact CD2-CG1 4.07Å; Y243-V271 HydrophobicContact CG-CG1 3.68Å; Y243-V271 HydrophobicContact CG-CG2 4.34Å; S268-V271 WeakPolarHBondContact O-CB 3.42Å; S268-V271 WeakPolarHBondContact O-CG2 3.16Å; S268-V271 PolarHBondContact O-N 3.04Å; S268-V271 PolarHBondContact OG-N 3.44Å; S269-V271 VanDerWaalsContact C-N 3.33Å; V271-E273 PolarHBondContact O-N 2.99Å; V271-E273 VanDerWaalsContact O-N 3.12Å; V271-A274 PolarHBondContact O-N 3.12Å; V271-M275 HydrophobicContact CG1-CB 4.05Å; V271-M275 HydrophobicContact CG1-SD 4.5Å; V271-M275 WeakPolarHBondContact O-CB 3.38Å; V271-M275 PolarHBondContact O-N 3.47Å |
| 272 | M | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52.9 | -32.6 | 174.6 | -171 | -175.6 | 83.1 | 0 | 0 | 113.1 | R144 L204 L239 L260 S261 V264 S268 G270 | R144-M272 PolarHBondContact NH1-O 3.46Å; L204-M272 HydrophobicContact CB-CE 4.49Å; L204-M272 HydrophobicContact CD2-CE 3.81Å; L204-M272 HydrophobicContact CD2-CG 3.95Å; L204-M272 WeakPolarHBondContact CD2-O 3.38Å; L239-M272 HydrophobicContact CD1-CB 4.16Å; L239-M272 HydrophobicContact CD1-CG 4.07Å; L260-M272 HydrophobicContact CB-CE 4.26Å; L260-M272 HydrophobicContact CB-CG 4.5Å; L260-M272 HydrophobicContact CB-SD 3.74Å; L260-M272 HydrophobicContact CD2-CG 4.21Å; L260-M272 HydrophobicContact CD2-SD 4.07Å; L260-M272 HydrophobicContact CG-SD 4.45Å; S261-M272 WeakPolarHBondContact O-CE 3.39Å; V264-M272 HydrophobicContact CB-SD 3.56Å; V264-M272 VanDerWaalsContact CB-SD 3.56Å; V264-M272 HydrophobicContact CG1-CG 4.29Å; V264-M272 HydrophobicContact CG1-SD 3.46Å; V264-M272 WeakPolarHBondContact CG1-SD 3.1Å; S268-M272 PolarHBondContact OG-N 2.73Å; S268-M272 VanDerWaalsContact OG-N 3.15Å; G270-M272 PolarHBondContact O-N 3.47Å; G270-M272 VanDerWaalsContact O-N 3.16Å |
| 273 | E | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.8 | -30 | 179 | -52.5 | -59.1 | 151.4 | 0 | 0 | 112 | L138 A139 Q142 R144 R145 S265 G270 V271 | L138-E273 HydrophobicContact CB-CB 3.83Å; L138-E273 HydrophobicContact CB-CG 4.23Å; A139-E273 HydrophobicContact CB-CG 4.12Å; Q142-E273 WeakPolarHBondContact CB-O 3.47Å; R144-E273 VanDerWaalsContact CD-O 3.28Å; R144-E273 WeakPolarHBondContact CD-O 3.45Å; R144-E273 PolarHBondContact NH1-O 2.87Å; R145-E273 WeakPolarHBondContact CD-OE2 3.49Å; R145-E273 IonicContact CZ-OE1 2.88Å; R145-E273 IonicContact CZ-OE2 3.66Å; R145-E273 VanDerWaalsContact NE-CD 3.33Å; R145-E273 IonicContact NE-OE1 2.99Å; R145-E273 PolarHBondContact NE-OE1 3.47Å; R145-E273 IonicContact NE-OE2 3.36Å; R145-E273 PolarHBondContact NE-OE2 3.35Å; R145-E273 IonicContact NH2-OE1 3.68Å; R145-E273 PolarHBondContact NH2-OE1 3.05Å; R145-E273 IonicContact NH2-OE2 3.59Å; S265-E273 WeakPolarHBondContact CB-OE1 3.49Å; S265-E273 WeakPolarHBondContact OG-CG 3.45Å; S265-E273 PolarHBondContact OG-OE1 3.16Å; G270-E273 VanDerWaalsContact O-CB 3.28Å; G270-E273 WeakPolarHBondContact O-CB 3.36Å; G270-E273 WeakPolarHBondContact O-CG 3.45Å; G270-E273 PolarHBondContact O-N 3.47Å; V271-E273 PolarHBondContact O-N 2.99Å; V271-E273 VanDerWaalsContact O-N 3.12Å |
| 274 | A | 95.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 17% | 0.174 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -94.6 | -36.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | Q142 Y243 V271 | Q142-A274 HydrophobicContact CG-CB 4.08Å; Y243-A274 HydrophobicContact CE2-CB 4.22Å; V271-A274 PolarHBondContact O-N 3.12Å |
| 275 | M | 94.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.054 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -80.4 | 132.8 | -175.4 | -164.4 | 174.4 | -159.8 | 0 | 0 | 111.4 | R144 L239 A242 Y243 V247 V250 V271 V277 | R144-M275 PolarHBondContact NH1-O 2.96Å; L239-M275 HydrophobicContact CD2-SD 4.22Å; A242-M275 HydrophobicContact CB-CE 3.8Å; A242-M275 HydrophobicContact CB-SD 4.2Å; Y243-M275 HydrophobicContact CD2-CB 4.12Å; Y243-M275 HydrophobicContact CD2-CG 4.37Å; V247-M275 HydrophobicContact CB-CE 4.14Å; V247-M275 HydrophobicContact CG1-CE 4.29Å; V250-M275 HydrophobicContact CG2-CE 3.33Å; V250-M275 HydrophobicContact CG2-SD 3.78Å; V271-M275 HydrophobicContact CG1-CB 4.05Å; V271-M275 HydrophobicContact CG1-SD 4.5Å; V271-M275 WeakPolarHBondContact O-CB 3.38Å; V271-M275 PolarHBondContact O-N 3.47Å; M275-V277 PolarHBondContact O-N 3.32Å |
| 276 | R | 92.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 30.1 Ų | 30.1 | 59% | 0.585 | 16% | 0.161 | S | C | * | . | trans | -76.4 | 118.2 | 173.1 | -70 | -174.4 | 124.4 | 95.2 | -3.1 | 109.7 | L207 Y278 | L207-R276 HydrophobicContact CD1-CB 3.74Å; L207-R276 HydrophobicContact CD1-CG 3.71Å; R276-Y278 HydrophobicContact CB-CE2 4.02Å | ||
| 277 | V | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.7 | 176.3 | -170 | 0 | 0 | 0 | 0 | 108.4 | F206 L207 L239 V250 L260 M275 | F206-V277 HydrophobicContact CD1-CB 4.37Å; F206-V277 HydrophobicContact CD1-CG1 3.81Å; F206-V277 HydrophobicContact CE1-CG1 3.72Å; L207-V277 PolarHBondContact N-O 2.78Å; L239-V277 HydrophobicContact CD1-CG2 4.26Å; L239-V277 HydrophobicContact CD2-CG2 3.69Å; V250-V277 HydrophobicContact CB-CG1 4.41Å; V250-V277 HydrophobicContact CG1-CG1 4.11Å; V250-V277 WeakPolarHBondContact O-CA 3.38Å; L260-V277 HydrophobicContact CD1-CB 4.21Å; L260-V277 HydrophobicContact CD2-CB 4.44Å; L260-V277 HydrophobicContact CD2-CG1 4.34Å; M275-V277 PolarHBondContact O-N 3.32Å |
| 278 | Y | 94.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.3 | -176.6 | -60.5 | -90 | 0 | 0 | 0 | 110.5 | L207 T208 F209 R249 V250 I251 S252 R276 | L207-Y278 HydrophobicContact CB-CD1 3.58Å; L207-Y278 HydrophobicContact CB-CE1 3.79Å; L207-Y278 HydrophobicContact CB-CG 4.31Å; L207-Y278 HydrophobicContact CD1-CE1 4Å; L207-Y278 CarbonylContact O-C 3.6Å; L207-Y278 VanDerWaalsContact O-CA 3.27Å; L207-Y278 WeakPolarHBondContact O-CA 3.49Å; T208-Y278 WeakPolarHBondContact O-CD1 3.42Å; F209-Y278 HydrophobicContact CD2-CG 4.38Å; R249-Y278 HydrophobicContact CB-CD2 4.45Å; R249-Y278 HydrophobicContact CB-CE2 4.28Å; R249-Y278 HydrophobicContact CG-CE2 4.13Å; R249-Y278 PolarHBondContact NH1-OH 3.02Å; V250-Y278 WeakPolarHBondContact O-CD2 3.31Å; V250-Y278 PolarHBondContact O-N 2.82Å; I251-Y278 CarbonylContact C-O 3.59Å; I251-Y278 WeakPolarHBondContact CA-O 3.35Å; S252-Y278 PolarHBondContact N-O 2.83Å; R276-Y278 HydrophobicContact CB-CE2 4.02Å |
| 279 | G | 93.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | L207 S252 | L207-G279 PolarHBondContact O-N 3.08Å; S252-G279 WeakPolarHBondContact O-CA 3.33Å |
| 280 | C | 91.2 | Very high | 89.8 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 14% | 0.142 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137 | 172.6 | -158.7 | 0 | 0 | 0 | 0 | 111.5 | I251 S252 S253 L254 S282 L283 | I251-C280 HydrophobicContact CG2-CB 4.3Å; S252-C280 PolarHBondContact O-N 2.82Å; S253-C280 CarbonylContact C-O 3.55Å; S253-C280 WeakPolarHBondContact CA-O 3.27Å; L254-C280 PolarHBondContact N-O 2.87Å; C280-S282 PolarHBondContact SG-O 2.94Å; C280-L283 HydrophobicContact CB-CD2 3.85Å |
| 281 | D | 89.4 | Confident | 88.1 | Confident | 97 Ų | 97 | 44.6 Ų | 44.6 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -68.2 | -43.8 | 171.3 | -83.7 | -71.4 | 0 | 0 | 0 | 112.3 | R255 | R255-D281 IonicContact CZ-OD1 2.97Å; R255-D281 IonicContact NE-OD1 3.92Å; R255-D281 IonicContact NH2-OD1 2.85Å; R255-D281 PolarHBondContact NH2-OD1 2.81Å |
| 282 | S | 90.4 | Very high | 86.1 | Confident | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | trans | -129.8 | 103.1 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | C280 E284 D285 M286 | C280-S282 PolarHBondContact SG-O 2.94Å; S282-E284 PolarHBondContact O-N 3.26Å; S282-D285 WeakPolarHBondContact CB-OD2 3.33Å; S282-D285 PolarHBondContact OG-N 2.91Å; S282-D285 PolarHBondContact OG-OD2 3.44Å; S282-M286 PolarHBondContact O-N 3.28Å | ||
| 283 | L | 89.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 175 | -69.2 | 176.7 | 0 | 0 | 0 | 111.3 | V225 E227 I251 C280 M286 L287 L310 | V225-L283 HydrophobicContact CG1-CD1 3.92Å; V225-L283 HydrophobicContact CG1-CD2 3.79Å; V225-L283 HydrophobicContact CG1-CG 4.36Å; E227-L283 HydrophobicContact CB-CD1 3.91Å; E227-L283 HydrophobicContact CG-CD1 4.12Å; I251-L283 HydrophobicContact CG2-CD2 3.89Å; C280-L283 HydrophobicContact CB-CD2 3.85Å; L283-M286 HydrophobicContact CD2-CE 3.64Å; L283-M286 PolarHBondContact O-N 3.45Å; L283-L287 WeakPolarHBondContact O-CD1 3.37Å; L283-L287 WeakPolarHBondContact O-CG 3.44Å; L283-L287 PolarHBondContact O-N 2.96Å; L283-L310 HydrophobicContact CB-CD1 4.07Å; L283-L310 HydrophobicContact CB-CD2 3.98Å; L283-L310 HydrophobicContact CD1-CD1 3.98Å |
| 284 | E | 88.9 | Confident | 83.3 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -51.6 | 177.2 | -179.2 | 176.8 | -174.2 | 0 | 0 | 111.4 | S282 M286 L287 R288 K309 L310 | S282-E284 PolarHBondContact O-N 3.26Å; E284-M286 VanDerWaalsContact C-N 3.28Å; E284-M286 PolarHBondContact O-N 3.01Å; E284-L287 PolarHBondContact O-N 3.45Å; E284-R288 WeakPolarHBondContact O-CG 3.26Å; E284-R288 PolarHBondContact O-N 3.41Å; E284-R288 IonicContact OE1-CZ 2.88Å; E284-R288 IonicContact OE1-NE 3.24Å; E284-R288 PolarHBondContact OE1-NE 3.48Å; E284-R288 IonicContact OE1-NH2 3.17Å; E284-R288 PolarHBondContact OE1-NH2 2.98Å; E284-K309 WeakPolarHBondContact OE2-CD 3.47Å; E284-L310 HydrophobicContact CB-CD2 4.18Å |
| 285 | D | 87 | Confident | 82.7 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | -178.4 | -62.8 | -36.2 | 0 | 0 | 0 | 111 | S282 L287 R288 T289 | S282-D285 WeakPolarHBondContact CB-OD2 3.33Å; S282-D285 PolarHBondContact OG-N 2.91Å; S282-D285 PolarHBondContact OG-OD2 3.44Å; D285-L287 PolarHBondContact O-N 3.31Å; D285-R288 PolarHBondContact O-N 3.47Å; D285-T289 WeakPolarHBondContact O-CB 3.43Å; D285-T289 PolarHBondContact O-N 2.99Å; D285-T289 PolarHBondContact O-OG1 3.33Å |
| 286 | M | 87.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 175.7 | 179.3 | -93.2 | -62.3 | 0 | 0 | 111.8 | F209 V225 I251 S282 L283 E284 R288 K290 V291 M296 | F209-M286 HydrophobicContact CD1-CG 3.7Å; F209-M286 HydrophobicContact CE1-CG 3.53Å; F209-M286 HydrophobicContact CE1-SD 4.21Å; F209-M286 HydrophobicContact CG-CG 4.4Å; F209-M286 HydrophobicContact CZ-CG 4.12Å; F209-M286 HydrophobicContact CZ-SD 4.21Å; V225-M286 HydrophobicContact CG1-CE 4.45Å; V225-M286 HydrophobicContact CG2-CE 4.36Å; I251-M286 HydrophobicContact CB-CE 4.44Å; I251-M286 HydrophobicContact CD1-CE 4Å; I251-M286 HydrophobicContact CD1-SD 4.12Å; I251-M286 HydrophobicContact CG2-CE 3.75Å; S282-M286 PolarHBondContact O-N 3.28Å; L283-M286 HydrophobicContact CD2-CE 3.64Å; L283-M286 PolarHBondContact O-N 3.45Å; E284-M286 VanDerWaalsContact C-N 3.28Å; E284-M286 PolarHBondContact O-N 3.01Å; M286-R288 PolarHBondContact O-N 3.35Å; M286-K290 WeakPolarHBondContact O-CB 3.39Å; M286-K290 PolarHBondContact O-N 3.07Å; M286-K290 VanDerWaalsContact O-N 3.12Å; M286-V291 HydrophobicContact SD-CG2 4.19Å; M286-M296 HydrophobicContact CE-CE 4.5Å; M286-M296 HydrophobicContact SD-CE 4.24Å |
| 287 | L | 84.8 | Confident | 82.6 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | 179.2 | -69 | 164.7 | 0 | 0 | 0 | 112.7 | L283 E284 D285 M296 L298 L310 V313 | L283-L287 WeakPolarHBondContact O-CD1 3.37Å; L283-L287 WeakPolarHBondContact O-CG 3.44Å; L283-L287 PolarHBondContact O-N 2.96Å; E284-L287 PolarHBondContact O-N 3.45Å; D285-L287 PolarHBondContact O-N 3.31Å; L287-M296 HydrophobicContact CD2-CE 3.31Å; L287-M296 HydrophobicContact CD2-SD 3.66Å; L287-L298 HydrophobicContact CD1-CD2 3.8Å; L287-L298 HydrophobicContact CD2-CD1 4.42Å; L287-L310 HydrophobicContact CD1-CD2 3.68Å; L287-V313 HydrophobicContact CB-CG2 4.38Å; L287-V313 HydrophobicContact CD1-CG2 3.81Å |
| 288 | R | 82.3 | Confident | 82.6 | Confident | 142 Ų | 142 | 59.8 Ų | 59.8 | 54% | 0.536 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -77.9 | -31.8 | -178.7 | -69.8 | -176.8 | -174.1 | -74.1 | 0.4 | 113.9 | E284 D285 M286 V313 | E284-R288 WeakPolarHBondContact O-CG 3.26Å; E284-R288 PolarHBondContact O-N 3.41Å; E284-R288 IonicContact OE1-CZ 2.88Å; E284-R288 IonicContact OE1-NE 3.24Å; E284-R288 PolarHBondContact OE1-NE 3.48Å; E284-R288 IonicContact OE1-NH2 3.17Å; E284-R288 PolarHBondContact OE1-NH2 2.98Å; D285-R288 PolarHBondContact O-N 3.47Å; M286-R288 PolarHBondContact O-N 3.35Å; R288-V313 HydrophobicContact CG-CG1 4.24Å; R288-V313 VanDerWaalsContact NH2-CG1 3.27Å |
| 289 | T | 73.3 | Confident | 82.7 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -111.3 | -26.1 | -166 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | D285 | D285-T289 WeakPolarHBondContact O-CB 3.43Å; D285-T289 PolarHBondContact O-N 2.99Å; D285-T289 PolarHBondContact O-OG1 3.33Å |
| 290 | K | 62.4 | Low | 82.7 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -117.4 | 3.5 | -163.2 | -71.7 | -177.6 | 179.1 | -170.4 | 0 | 115.1 | F209 M286 | F209-K290 HydrophobicContact CD1-CD 3.86Å; F209-K290 HydrophobicContact CE1-CB 3.86Å; F209-K290 HydrophobicContact CE1-CD 3.71Å; F209-K290 HydrophobicContact CE1-CG 4.42Å; M286-K290 WeakPolarHBondContact O-CB 3.39Å; M286-K290 PolarHBondContact O-N 3.07Å; M286-K290 VanDerWaalsContact O-N 3.12Å |
| 291 | V | 62.2 | Low | 82.6 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | trans | -120.1 | 103.4 | -167.2 | -178 | 0 | 0 | 0 | 0 | 110.1 | W223 M286 P294 M296 | W223-V291 HydrophobicContact CZ3-CG2 4.38Å; M286-V291 HydrophobicContact SD-CG2 4.19Å; V291-P294 VanDerWaalsContact CG1-CD 3.5Å; V291-P294 HydrophobicContact CG1-CG 3.59Å; V291-M296 HydrophobicContact CB-SD 4.3Å; V291-M296 HydrophobicContact CG1-SD 3.49Å; V291-M296 WeakPolarHBondContact CG1-SD 3.2Å; V291-M296 HydrophobicContact CG2-CE 4.5Å; V291-M296 HydrophobicContact CG2-SD 3.84Å | ||
| 292 | T | 57.7 | Low | 82.5 | Confident | 131 Ų | 131 | 59.7 Ų | 59.7 | 80% | 0.804 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -102.4 | -23.8 | 176.6 | 49.6 | 0 | 0 | 0 | 0 | 114 | ||
| 293 | R | 66 | Low | 82.1 | Confident | 215 Ų | 215 | 61.6 Ų | 61.6 | 81% | 0.811 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -150.7 | 0.5 | -169.2 | -69.1 | -165.2 | 163.7 | 106.2 | 1.1 | 121.7 | ||
| 294 | P | 69 | Low | 81.9 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 16% | 0.156 | 36% | 0.361 | C | S | . | . | trans | -84.9 | 149.5 | 175.2 | 33.8 | -35.4 | 0 | 0 | 0 | 113.6 | P221 W223 V291 M296 | P221-P294 HydrophobicContact CG-CB 4.03Å; W223-P294 HydrophobicContact CD2-CB 3.6Å; W223-P294 HydrophobicContact CD2-CG 3.66Å; W223-P294 HydrophobicContact CE3-CB 4.11Å; W223-P294 HydrophobicContact CE3-CG 3.62Å; W223-P294 HydrophobicContact CG-CB 3.86Å; W223-P294 HydrophobicContact CG-CG 4.35Å; W223-P294 HydrophobicContact CH2-CG 3.86Å; W223-P294 HydrophobicContact CZ2-CB 4.03Å; W223-P294 HydrophobicContact CZ2-CG 3.88Å; W223-P294 HydrophobicContact CZ3-CG 3.72Å; V291-P294 VanDerWaalsContact CG1-CD 3.5Å; V291-P294 HydrophobicContact CG1-CG 3.59Å; P294-M296 HydrophobicContact CB-CG 4.34Å; P294-M296 HydrophobicContact CG-CG 4Å; P294-M296 HydrophobicContact CG-SD 4.12Å | ||
| 295 | T | 83.4 | Confident | 82 | Confident | 68 Ų | 68 | 67.7 Ų | 67.7 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.8 | 160.6 | -60.3 | 0 | 0 | 0 | 0 | 107.5 | V220 P221 L222 W223 | V220-T295 WeakPolarHBondContact CG1-OG1 3.27Å; P221-T295 PolarHBondContact O-N 3.47Å; L222-T295 CarbonylContact C-O 3.56Å; L222-T295 WeakPolarHBondContact CA-O 3.43Å; L222-T295 HydrophobicContact CD1-CG2 3.81Å; L222-T295 WeakPolarHBondContact CD1-O 3.04Å; W223-T295 PolarHBondContact N-O 3.21Å |
| 296 | M | 89.9 | Confident | 82.3 | Confident | 41 Ų | 41 | 65 Ų | 65 | 20% | 0.202 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.7 | -177.1 | -57.7 | -174 | 65.1 | 0 | 0 | 110.4 | W223 V225 I251 M286 L287 V291 P294 L298 | W223-M296 HydrophobicContact CB-CG 4.23Å; W223-M296 HydrophobicContact CE3-CE 3.98Å; W223-M296 HydrophobicContact CE3-SD 4.18Å; W223-M296 WeakPolarHBondContact O-CA 3.4Å; V225-M296 HydrophobicContact CG2-CE 3.21Å; I251-M296 HydrophobicContact CD1-CE 4.47Å; M286-M296 HydrophobicContact CE-CE 4.5Å; M286-M296 HydrophobicContact SD-CE 4.24Å; L287-M296 HydrophobicContact CD2-CE 3.31Å; L287-M296 HydrophobicContact CD2-SD 3.66Å; V291-M296 HydrophobicContact CB-SD 4.3Å; V291-M296 HydrophobicContact CG1-SD 3.49Å; V291-M296 WeakPolarHBondContact CG1-SD 3.2Å; V291-M296 HydrophobicContact CG2-CE 4.5Å; V291-M296 HydrophobicContact CG2-SD 3.84Å; P294-M296 HydrophobicContact CB-CG 4.34Å; P294-M296 HydrophobicContact CG-CG 4Å; P294-M296 HydrophobicContact CG-SD 4.12Å; M296-L298 HydrophobicContact CB-CD1 3.92Å |
| 297 | L | 94.5 | Very high | 82.6 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.9 | 168 | 178.3 | 62.7 | 0 | 0 | 0 | 108.6 | W223 L224 V225 V299 L318 M342 L343 L346 | W223-L297 PolarHBondContact O-N 3.06Å; L224-L297 HydrophobicContact CD1-CB 4.27Å; L224-L297 HydrophobicContact CD1-CD2 4.08Å; L224-L297 HydrophobicContact CD1-CG 4.17Å; V225-L297 PolarHBondContact N-O 2.94Å; L297-V299 HydrophobicContact CD2-CG2 4.32Å; L297-V299 HydrophobicContact CG-CG2 4.07Å; L297-L318 HydrophobicContact CD1-CD1 4.29Å; L297-M342 HydrophobicContact CD1-CB 4.5Å; L297-M342 HydrophobicContact CD2-CB 3.79Å; L297-L343 HydrophobicContact CD2-CD2 3.79Å; L297-L343 HydrophobicContact CD2-CG 4.12Å; L297-L346 HydrophobicContact CB-CD1 4.31Å; L297-L346 HydrophobicContact CD1-CD1 4.29Å; L297-L346 HydrophobicContact CD2-CD1 4.21Å |
| 298 | L | 95.9 | Very high | 82.9 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132 | 175 | -79.3 | 62.9 | 0 | 0 | 0 | 109.3 | V225 L287 M296 L306 L310 | V225-L298 HydrophobicContact CB-CD1 4.13Å; V225-L298 HydrophobicContact CB-CG 3.97Å; V225-L298 HydrophobicContact CG1-CG 4.27Å; V225-L298 HydrophobicContact CG2-CD1 4.27Å; V225-L298 CarbonylContact O-C 3.59Å; V225-L298 WeakPolarHBondContact O-CA 3.42Å; L287-L298 HydrophobicContact CD1-CD2 3.8Å; L287-L298 HydrophobicContact CD2-CD1 4.42Å; M296-L298 HydrophobicContact CB-CD1 3.92Å; L298-L306 HydrophobicContact CB-CD1 3.99Å; L298-L306 HydrophobicContact CB-CD2 4.13Å; L298-L310 HydrophobicContact CD2-CB 4.44Å; L298-L310 HydrophobicContact CD2-CD1 4.45Å |
| 299 | V | 96.5 | Very high | 83.3 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 12% | 0.121 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.6 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | L224 V225 L226 E227 L297 V335 T339 | L224-V299 HydrophobicContact CD1-CG2 3.84Å; V225-V299 PolarHBondContact O-N 3.32Å; L226-V299 HydrophobicContact CD2-CB 4.09Å; E227-V299 PolarHBondContact N-O 2.96Å; L297-V299 HydrophobicContact CD2-CG2 4.32Å; L297-V299 HydrophobicContact CG-CG2 4.07Å; V299-V335 HydrophobicContact CG1-CG2 3.35Å; V299-T339 WeakPolarHBondContact CG1-OG1 3.35Å; V299-T339 HydrophobicContact CG2-CG2 4.29Å |
| 300 | G | 93.8 | Very high | 84.2 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | trans | -102.5 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E227 V335 | E227-G300 CarbonylContact O-C 3.47Å; E227-G300 WeakPolarHBondContact O-CA 3.26Å; G300-V335 WeakPolarHBondContact O-CG2 3.4Å | ||
| 301 | S | 91.1 | Very high | 85.5 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -63.8 | 158.4 | 178.4 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | E227 R228 G303 E304 G305 | E227-S301 PolarHBondContact O-N 3.18Å; R228-S301 WeakPolarHBondContact O-CB 3.48Å; S301-G303 VanDerWaalsContact C-N 3.26Å; S301-G303 PolarHBondContact O-N 3.21Å; S301-E304 PolarHBondContact OG-N 2.86Å; S301-G305 PolarHBondContact N-O 3.3Å; S301-G305 WeakPolarHBondContact O-CA 3.43Å; S301-G305 PolarHBondContact O-N 2.9Å; S301-G305 PolarHBondContact OG-N 3.02Å |
| 302 | E | 85.2 | Confident | 86.9 | Confident | 99 Ų | 99 | 63.7 Ų | 63.7 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.3 | 178.6 | -66.7 | 179.3 | 148.4 | 0 | 0 | 114.1 | N234 N334 V335 | N234-E302 PolarHBondContact ND2-OE1 3.27Å; N234-E302 PolarHBondContact ND2-OE2 3.34Å; E302-N334 PolarHBondContact OE1-ND2 3.34Å; E302-V335 HydrophobicContact CG-CB 3.63Å; E302-V335 HydrophobicContact CG-CG1 3.57Å; E302-V335 PolarHBondContact OE1-N 2.81Å |
| 303 | G | 83.6 | Confident | 88.4 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 78% | 0.784 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -67.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S301 | S301-G303 VanDerWaalsContact C-N 3.26Å; S301-G303 PolarHBondContact O-N 3.21Å |
| 304 | E | 86.2 | Confident | 89.4 | Confident | 152 Ų | 152 | 49.8 Ų | 49.8 | 71% | 0.71 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -12.2 | -173.3 | -61.3 | -177.7 | 158.9 | 0 | 0 | 113.3 | R228 S301 | R228-E304 IonicContact CZ-OE2 2.62Å; R228-E304 IonicContact NE-OE2 3.32Å; R228-E304 PolarHBondContact NE-OE2 3.31Å; S301-E304 PolarHBondContact OG-N 2.86Å |
| 305 | G | 90.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 57 Ų | 57 | 27% | 0.268 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | 63.9 | -145.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R228 S301 | R228-G305 PolarHBondContact NH2-O 3.02Å; S301-G305 PolarHBondContact N-O 3.3Å; S301-G305 WeakPolarHBondContact O-CA 3.43Å; S301-G305 PolarHBondContact O-N 2.9Å; S301-G305 PolarHBondContact OG-N 3.02Å |
| 306 | L | 92.8 | Very high | 90.7 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -78.2 | 145 | 175.3 | -70.4 | 171.6 | 0 | 0 | 0 | 110.6 | E227 L298 L310 L311 | E227-L306 HydrophobicContact CB-CD2 4.06Å; E227-L306 VanDerWaalsContact OE2-CA 3.24Å; E227-L306 WeakPolarHBondContact OE2-CA 3.4Å; E227-L306 WeakPolarHBondContact OE2-CD2 3.36Å; L298-L306 HydrophobicContact CB-CD1 3.99Å; L298-L306 HydrophobicContact CB-CD2 4.13Å; L306-L310 HydrophobicContact CD2-CD1 4.23Å; L306-L311 HydrophobicContact CB-CD2 3.93Å; L306-L311 HydrophobicContact CB-CG 3.88Å; L306-L311 HydrophobicContact CD1-CD2 4Å |
| 307 | S | 92.9 | Very high | 90.7 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | trans | -66.4 | 151.7 | 174.2 | 63.2 | 0 | 0 | 0 | 0 | 111 | E227 R228 K309 L310 L311 | E227-S307 VanDerWaalsContact OE1-CB 3.22Å; E227-S307 WeakPolarHBondContact OE1-CB 3.48Å; E227-S307 PolarHBondContact OE1-OG 2.79Å; E227-S307 PolarHBondContact OE2-N 3.16Å; E227-S307 PolarHBondContact OE2-OG 3.01Å; R228-S307 VanDerWaalsContact NH2-N 3.15Å; S307-K309 PolarHBondContact O-N 2.62Å; S307-K309 VanDerWaalsContact O-N 3.12Å; S307-L310 PolarHBondContact O-N 3.46Å; S307-L310 PolarHBondContact OG-N 3.23Å; S307-L311 WeakPolarHBondContact O-CG 3.35Å; S307-L311 PolarHBondContact O-N 3.27Å | ||
| 308 | G | 92.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 65.9 Ų | 65.9 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -54.9 | -32.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L311 S312 | G308-L311 PolarHBondContact O-N 3.18Å; G308-S312 WeakPolarHBondContact O-CB 3.33Å; G308-S312 PolarHBondContact O-N 2.89Å |
| 309 | K | 90.8 | Very high | 90.3 | Very high | 140 Ų | 140 | 70 Ų | 70 | 61% | 0.609 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.8 | -50.8 | 173.7 | -67.4 | 179.6 | 174.2 | -167.7 | 0 | 111.8 | E284 S307 S312 | E284-K309 WeakPolarHBondContact OE2-CD 3.47Å; S307-K309 PolarHBondContact O-N 2.62Å; S307-K309 VanDerWaalsContact O-N 3.12Å; K309-S312 PolarHBondContact O-N 3.36Å; K309-S312 PolarHBondContact O-OG 2.83Å |
| 310 | L | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.016 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.1 | -38.3 | 177 | -70.7 | -160.8 | 0 | 0 | 0 | 112.5 | E227 L283 E284 L287 L298 L306 S307 S312 V313 C314 | E227-L310 HydrophobicContact CB-CD1 3.84Å; E227-L310 HydrophobicContact CG-CD1 3.85Å; E227-L310 WeakPolarHBondContact OE2-CD1 3.33Å; L283-L310 HydrophobicContact CB-CD1 4.07Å; L283-L310 HydrophobicContact CB-CD2 3.98Å; L283-L310 HydrophobicContact CD1-CD1 3.98Å; E284-L310 HydrophobicContact CB-CD2 4.18Å; L287-L310 HydrophobicContact CD1-CD2 3.68Å; L298-L310 HydrophobicContact CD2-CB 4.44Å; L298-L310 HydrophobicContact CD2-CD1 4.45Å; L306-L310 HydrophobicContact CD2-CD1 4.23Å; S307-L310 PolarHBondContact O-N 3.46Å; S307-L310 PolarHBondContact OG-N 3.23Å; L310-S312 PolarHBondContact O-N 3.47Å; L310-V313 HydrophobicContact CD2-CG2 4.44Å; L310-V313 WeakPolarHBondContact O-CG2 3.35Å; L310-V313 PolarHBondContact O-N 3.02Å; L310-V313 VanDerWaalsContact O-N 3.16Å; L310-C314 PolarHBondContact O-N 3.11Å; L310-C314 PolarHBondContact O-SG 3.49Å |
| 311 | L | 91.5 | Very high | 90 | Very high | 74 Ų | 74 | 76.3 Ų | 76.3 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 174.6 | -71.9 | 171.2 | 0 | 0 | 0 | 112 | L306 S307 G308 V313 C314 L317 | L306-L311 HydrophobicContact CB-CD2 3.93Å; L306-L311 HydrophobicContact CB-CG 3.88Å; L306-L311 HydrophobicContact CD1-CD2 4Å; S307-L311 WeakPolarHBondContact O-CG 3.35Å; S307-L311 PolarHBondContact O-N 3.27Å; G308-L311 PolarHBondContact O-N 3.18Å; L311-V313 PolarHBondContact O-N 3.46Å; L311-C314 WeakPolarHBondContact O-CB 3.49Å; L311-C314 PolarHBondContact O-N 2.88Å; L311-L317 HydrophobicContact CD2-CD2 3.69Å |
| 312 | S | 90.3 | Very high | 90.1 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.4 | -21.2 | 179.4 | 79.4 | 0 | 0 | 0 | 0 | 114.4 | G308 K309 L310 | G308-S312 WeakPolarHBondContact O-CB 3.33Å; G308-S312 PolarHBondContact O-N 2.89Å; K309-S312 PolarHBondContact O-N 3.36Å; K309-S312 PolarHBondContact O-OG 2.83Å; L310-S312 PolarHBondContact O-N 3.47Å |
| 313 | V | 89.2 | Confident | 90.4 | Very high | 22 Ų | 22 | 77.8 Ų | 77.8 | 13% | 0.133 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -101.2 | -6.8 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 113 | L287 R288 L310 L311 Q315 | L287-V313 HydrophobicContact CB-CG2 4.38Å; L287-V313 HydrophobicContact CD1-CG2 3.81Å; R288-V313 HydrophobicContact CG-CG1 4.24Å; R288-V313 VanDerWaalsContact NH2-CG1 3.27Å; L310-V313 HydrophobicContact CD2-CG2 4.44Å; L310-V313 WeakPolarHBondContact O-CG2 3.35Å; L310-V313 PolarHBondContact O-N 3.02Å; L310-V313 VanDerWaalsContact O-N 3.16Å; L311-V313 PolarHBondContact O-N 3.46Å; V313-Q315 PolarHBondContact O-NE2 2.87Å |
| 314 | C | 88.4 | Confident | 90.9 | Very high | 32 Ų | 32 | 83.9 Ų | 83.9 | 22% | 0.216 | 49% | 0.488 | C | S | . | . | trans | -71.1 | 131.4 | 175.4 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | L310 L311 L317 | L310-C314 PolarHBondContact O-N 3.11Å; L310-C314 PolarHBondContact O-SG 3.49Å; L311-C314 WeakPolarHBondContact O-CB 3.49Å; L311-C314 PolarHBondContact O-N 2.88Å; C314-L317 HydrophobicContact CB-CD2 4.24Å | ||
| 315 | Q | 88.9 | Confident | 91.3 | Very high | 174 Ų | 174 | 84.3 Ų | 84.3 | 81% | 0.813 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -79.4 | -31.1 | 175.1 | -65 | 70.8 | 38.2 | 0 | 0 | 112.2 | V313 | V313-Q315 PolarHBondContact O-NE2 2.87Š|
| 316 | T | 89 | Confident | 91.4 | Very high | 101 Ų | 101 | 87.1 Ų | 87.1 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | trans | -145.5 | 134.3 | -174.1 | -51.4 | 0 | 0 | 0 | 0 | 109.2 | L318 | T316-L318 HydrophobicContact CG2-CD2 4.11Š| ||
| 317 | L | 91.1 | Very high | 91.4 | Very high | 122 Ų | 122 | 88.3 Ų | 88.3 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | trans | -97.4 | 129.4 | 171.1 | -62.3 | 177.7 | 0 | 0 | 0 | 109.4 | L311 C314 | L311-L317 HydrophobicContact CD2-CD2 3.69Å; C314-L317 HydrophobicContact CB-CD2 4.24Å | ||
| 318 | L | 90.8 | Very high | 91.4 | Very high | 88 Ų | 88 | 93.7 Ų | 93.7 | 46% | 0.461 | 55% | 0.552 | S | S | . | * | trans | -107.7 | 138.5 | 178.7 | -59.1 | 178.6 | 0 | 0 | 0 | 109.7 | L297 T316 M342 L346 | L297-L318 HydrophobicContact CD1-CD1 4.29Å; T316-L318 HydrophobicContact CG2-CD2 4.11Å; L318-M342 HydrophobicContact CB-CE 3.72Å; L318-M342 HydrophobicContact CB-SD 4.24Å; L318-L346 HydrophobicContact CD1-CD1 4.38Å; L318-L346 HydrophobicContact CD1-CD2 4.23Å | ||
| 319 | T | 91.2 | Very high | 91.1 | Very high | 118 Ų | 118 | 94.4 Ų | 94.4 | 72% | 0.724 | 56% | 0.559 | S | S | * | * | trans | -131 | 137.1 | -179.3 | -53 | 0 | 0 | 0 | 0 | 110.1 | P321 | T319-P321 WeakPolarHBondContact O-CD 3.33Š| ||
| 320 | I | 92.9 | Very high | 91 | Very high | 54 Ų | 54 | 92.5 Ų | 92.5 | 28% | 0.277 | 56% | 0.555 | S | S | . | * | trans | -90.1 | 109.1 | 166.4 | -67 | 157.6 | 0 | 0 | 0 | 106.6 | L333 A338 I341 M342 | I320-L333 HydrophobicContact CD1-CD1 4.19Å; I320-L333 HydrophobicContact CG2-CD1 4Å; I320-A338 HydrophobicContact CD1-CB 3.98Å; I320-I341 HydrophobicContact CD1-CB 3.83Å; I320-I341 HydrophobicContact CD1-CD1 4.21Å; I320-I341 HydrophobicContact CD1-CG2 3.75Å; I320-I341 HydrophobicContact CG1-CG2 3.99Å; I320-M342 HydrophobicContact CD1-CE 4.02Å; I320-M342 HydrophobicContact CD1-CG 4.11Å; I320-M342 HydrophobicContact CD1-SD 4.22Å; I320-M342 HydrophobicContact CG1-CE 3.57Å; I320-M342 HydrophobicContact CG1-CG 4.46Å; I320-M342 HydrophobicContact CG1-SD 3.91Å | ||
| 321 | P | 91.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | trans | -68.9 | 143.5 | 178.6 | 29.1 | -34.1 | 0 | 0 | 0 | 110.5 | T319 | T319-P321 WeakPolarHBondContact O-CD 3.33Š| ||
| 322 | A | 92.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 101.4 Ų | 101.4 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | trans | -65.6 | 134.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R324 L326 | A322-R324 WeakPolarHBondContact CB-O 3.43Å; A322-R324 PolarHBondContact O-N 2.77Å; A322-L326 HydrophobicContact CB-CD1 4.09Å; A322-L326 HydrophobicContact CB-CD2 4.04Å; A322-L326 HydrophobicContact CB-CG 4.01Å | ||
| 323 | G | 91.8 | Very high | 90.9 | Very high | 85 Ų | 85 | 101.6 Ų | 101.6 | 88% | 0.876 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -80 | 4.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 324 | R | 93.7 | Very high | 91.1 | Very high | 204 Ų | 204 | 103.6 Ų | 103.6 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -165.8 | 169 | -179.5 | 64.6 | -176.4 | 73 | 179.1 | 3.4 | 109.7 | A322 L326 | A322-R324 WeakPolarHBondContact CB-O 3.43Å; A322-R324 PolarHBondContact O-N 2.77Å; R324-L326 PolarHBondContact O-N 3.13Å |
| 325 | D | 94.6 | Very high | 91.5 | Very high | 161 Ų | 161 | 102.5 Ų | 102.5 | 86% | 0.861 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.4 | 167.1 | -59.3 | -39.7 | 0 | 0 | 0 | 110.3 | ||
| 326 | L | 92.8 | Very high | 91.9 | Very high | 85 Ų | 85 | 95 Ų | 95 | 45% | 0.445 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -86.4 | 140.7 | -177.8 | -59.3 | 179.4 | 0 | 0 | 0 | 110.2 | A322 R324 I330 | A322-L326 HydrophobicContact CB-CD1 4.09Å; A322-L326 HydrophobicContact CB-CD2 4.04Å; A322-L326 HydrophobicContact CB-CG 4.01Å; R324-L326 PolarHBondContact O-N 3.13Å; L326-I330 VanDerWaalsContact CB-O 3.31Å; L326-I330 WeakPolarHBondContact CB-O 3.37Å; L326-I330 VanDerWaalsContact CD1-O 3.28Å; L326-I330 WeakPolarHBondContact CD1-O 3.44Å; L326-I330 HydrophobicContact CD2-CG2 4.47Å |
| 327 | A | 92.8 | Very high | 92.3 | Very high | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 149 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G329 I330 | A327-G329 PolarHBondContact O-N 3.39Å; A327-I330 HydrophobicContact CB-CD1 4.32Å; A327-I330 PolarHBondContact O-N 2.88Å; A327-I330 VanDerWaalsContact O-N 3.08Å |
| 328 | P | 92.3 | Very high | 92.6 | Very high | 140 Ų | 140 | 89 Ų | 89 | 91% | 0.909 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130.7 | 176.8 | -26.4 | 34.5 | 0 | 0 | 0 | 112 | ||
| 329 | G | 86.3 | Confident | 92.9 | Very high | 72 Ų | 72 | 85 Ų | 85 | 74% | 0.742 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A327 | A327-G329 PolarHBondContact O-N 3.39Š|
| 330 | I | 88.3 | Confident | 93.2 | Very high | 101 Ų | 101 | 80.1 Ų | 80.1 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | trans | -103.4 | 106.7 | 169.3 | -56.7 | 177 | 0 | 0 | 0 | 107.9 | L326 A327 | L326-I330 VanDerWaalsContact CB-O 3.31Å; L326-I330 WeakPolarHBondContact CB-O 3.37Å; L326-I330 VanDerWaalsContact CD1-O 3.28Å; L326-I330 WeakPolarHBondContact CD1-O 3.44Å; L326-I330 HydrophobicContact CD2-CG2 4.47Å; A327-I330 HydrophobicContact CB-CD1 4.32Å; A327-I330 PolarHBondContact O-N 2.88Å; A327-I330 VanDerWaalsContact O-N 3.08Å | ||
| 331 | E | 85.6 | Confident | 93.4 | Very high | 170 Ų | 170 | 81.2 Ų | 81.2 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | trans | -111.7 | -33.1 | -172.1 | -62.3 | -177.9 | 178.2 | 0 | 0 | 113 | ||||
| 332 | S | 90.3 | Very high | 93.6 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | trans | -150.9 | 166.2 | -171 | 66 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 333 | L | 93.6 | Very high | 93.7 | Very high | 85 Ų | 85 | 74.6 Ų | 74.6 | 45% | 0.445 | 45% | 0.446 | S | S | . | . | trans | -81.7 | 151.3 | 169.5 | -66 | 172.9 | 0 | 0 | 0 | 109.9 | I320 A338 I341 | I320-L333 HydrophobicContact CD1-CD1 4.19Å; I320-L333 HydrophobicContact CG2-CD1 4Å; L333-A338 HydrophobicContact CB-CB 4.26Å; L333-I341 HydrophobicContact CD1-CD1 3.88Å | ||
| 334 | N | 95.4 | Very high | 93.8 | Very high | 64 Ų | 64 | 75.8 Ų | 75.8 | 34% | 0.342 | 43% | 0.429 | S | S | . | . | trans | -52 | 140.2 | 164.7 | 169.4 | -84.3 | 0 | 0 | 0 | 110.7 | N234 E302 S336 V337 A338 | N234-N334 PolarHBondContact OD1-ND2 2.85Å; N234-N334 PolarHBondContact OD1-OD1 3.39Å; E302-N334 PolarHBondContact OE1-ND2 3.34Å; N334-S336 VanDerWaalsContact C-N 3.27Å; N334-S336 PolarHBondContact O-N 3.24Å; N334-S336 WeakPolarHBondContact OD1-CB 3.45Å; N334-S336 PolarHBondContact OD1-N 3.3Å; N334-S336 PolarHBondContact OD1-OG 2.69Å; N334-V337 HydrophobicContact CB-CG2 4.2Å; N334-V337 PolarHBondContact O-N 3.37Å; N334-V337 VanDerWaalsContact O-N 3.12Å; N334-V337 PolarHBondContact OD1-N 3.32Å; N334-A338 PolarHBondContact O-N 3.38Å | ||
| 335 | V | 96.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.5 | -36.3 | -171.6 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | I229 N234 I238 V299 G300 E302 T339 | I229-V335 HydrophobicContact CD1-CG1 4.38Å; I229-V335 HydrophobicContact CD1-CG2 3.9Å; N234-V335 HydrophobicContact CB-CG1 3.9Å; I238-V335 HydrophobicContact CD1-CG1 4.34Å; I238-V335 HydrophobicContact CD1-CG2 4.4Å; V299-V335 HydrophobicContact CG1-CG2 3.35Å; G300-V335 WeakPolarHBondContact O-CG2 3.4Å; E302-V335 HydrophobicContact CG-CB 3.63Å; E302-V335 HydrophobicContact CG-CG1 3.57Å; E302-V335 PolarHBondContact OE1-N 2.81Å; V335-T339 WeakPolarHBondContact O-CB 3.48Å; V335-T339 PolarHBondContact O-N 2.93Å; V335-T339 PolarHBondContact O-OG1 3.23Å |
| 336 | S | 97.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 63 Ų | 63 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | -179.9 | 76.1 | 0 | 0 | 0 | 0 | 112.2 | N334 G340 | N334-S336 VanDerWaalsContact C-N 3.27Å; N334-S336 PolarHBondContact O-N 3.24Å; N334-S336 WeakPolarHBondContact OD1-CB 3.45Å; N334-S336 PolarHBondContact OD1-N 3.3Å; N334-S336 PolarHBondContact OD1-OG 2.69Å; S336-G340 PolarHBondContact O-N 2.96Å |
| 337 | V | 97.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.7 | -48.5 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | N334 T339 G340 I341 | N334-V337 HydrophobicContact CB-CG2 4.2Å; N334-V337 PolarHBondContact O-N 3.37Å; N334-V337 VanDerWaalsContact O-N 3.12Å; N334-V337 PolarHBondContact OD1-N 3.32Å; V337-T339 VanDerWaalsContact C-N 3.29Å; V337-T339 PolarHBondContact O-N 2.97Å; V337-G340 PolarHBondContact O-N 3.2Å; V337-I341 HydrophobicContact CG1-CD1 4.03Å; V337-I341 WeakPolarHBondContact O-CG1 3.1Å; V337-I341 PolarHBondContact O-N 3.17Å |
| 338 | A | 96.7 | Very high | 92.6 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I320 L333 N334 G340 I341 M342 | I320-A338 HydrophobicContact CD1-CB 3.98Å; L333-A338 HydrophobicContact CB-CB 4.26Å; N334-A338 PolarHBondContact O-N 3.38Å; A338-G340 PolarHBondContact O-N 2.61Å; A338-I341 PolarHBondContact O-N 2.8Å; A338-M342 WeakPolarHBondContact O-CG 3.48Å; A338-M342 PolarHBondContact O-N 2.72Å |
| 339 | T | 97.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | L224 I238 V299 V335 V337 I341 M342 L343 | L224-T339 HydrophobicContact CD1-CG2 4.05Å; L224-T339 HydrophobicContact CD2-CG2 4.12Å; I238-T339 HydrophobicContact CG1-CG2 4.28Å; I238-T339 HydrophobicContact CG2-CG2 4.04Å; V299-T339 WeakPolarHBondContact CG1-OG1 3.35Å; V299-T339 HydrophobicContact CG2-CG2 4.29Å; V335-T339 WeakPolarHBondContact O-CB 3.48Å; V335-T339 PolarHBondContact O-N 2.93Å; V335-T339 PolarHBondContact O-OG1 3.23Å; V337-T339 VanDerWaalsContact C-N 3.29Å; V337-T339 PolarHBondContact O-N 2.97Å; T339-I341 PolarHBondContact O-N 3.12Å; T339-M342 PolarHBondContact O-N 3.42Å; T339-L343 HydrophobicContact CG2-CD1 3.88Å; T339-L343 HydrophobicContact CG2-CG 4.19Å; T339-L343 WeakPolarHBondContact O-CB 3.24Å; T339-L343 VanDerWaalsContact O-CG 3.27Å; T339-L343 WeakPolarHBondContact O-CG 3.22Å; T339-L343 PolarHBondContact O-N 3.29Å |
| 340 | G | 97.3 | Very high | 91 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S336 V337 A338 H344 | S336-G340 PolarHBondContact O-N 2.96Å; V337-G340 PolarHBondContact O-N 3.2Å; A338-G340 PolarHBondContact O-N 2.61Å; G340-H344 WeakPolarHBondContact O-CB 3.41Å; G340-H344 PolarHBondContact O-N 2.85Å |
| 341 | I | 96.6 | Very high | 90 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 40% | 0.395 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 177.2 | -66.7 | 166.7 | 0 | 0 | 0 | 110.8 | I320 L333 V337 A338 T339 H344 S345 | I320-I341 HydrophobicContact CD1-CB 3.83Å; I320-I341 HydrophobicContact CD1-CD1 4.21Å; I320-I341 HydrophobicContact CD1-CG2 3.75Å; I320-I341 HydrophobicContact CG1-CG2 3.99Å; L333-I341 HydrophobicContact CD1-CD1 3.88Å; V337-I341 HydrophobicContact CG1-CD1 4.03Å; V337-I341 WeakPolarHBondContact O-CG1 3.1Å; V337-I341 PolarHBondContact O-N 3.17Å; A338-I341 PolarHBondContact O-N 2.8Å; T339-I341 PolarHBondContact O-N 3.12Å; I341-H344 PolarHBondContact O-N 2.97Å; I341-S345 WeakPolarHBondContact O-CB 3.2Å; I341-S345 PolarHBondContact O-N 2.65Å |
| 342 | M | 95.7 | Very high | 88.8 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 179.9 | -70.9 | -56.4 | -162 | 0 | 0 | 111.9 | L297 L318 I320 A338 T339 H344 S345 L346 | L297-M342 HydrophobicContact CD1-CB 4.5Å; L297-M342 HydrophobicContact CD2-CB 3.79Å; L318-M342 HydrophobicContact CB-CE 3.72Å; L318-M342 HydrophobicContact CB-SD 4.24Å; I320-M342 HydrophobicContact CD1-CE 4.02Å; I320-M342 HydrophobicContact CD1-CG 4.11Å; I320-M342 HydrophobicContact CD1-SD 4.22Å; I320-M342 HydrophobicContact CG1-CE 3.57Å; I320-M342 HydrophobicContact CG1-CG 4.46Å; I320-M342 HydrophobicContact CG1-SD 3.91Å; A338-M342 WeakPolarHBondContact O-CG 3.48Å; A338-M342 PolarHBondContact O-N 2.72Å; T339-M342 PolarHBondContact O-N 3.42Å; M342-H344 VanDerWaalsContact C-N 3.35Å; M342-H344 PolarHBondContact O-N 3.2Å; M342-S345 PolarHBondContact O-N 2.85Å; M342-L346 WeakPolarHBondContact O-CG 3.28Å; M342-L346 PolarHBondContact O-N 3.25Å |
| 343 | L | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.8 | -72.2 | 177.1 | 0 | 0 | 0 | 111.5 | L222 L224 A242 L245 V247 L297 T339 S345 L346 L347 | L222-L343 HydrophobicContact CD2-CD2 3.82Å; L224-L343 HydrophobicContact CD2-CD1 4.35Å; A242-L343 HydrophobicContact CB-CD1 4.2Å; L245-L343 HydrophobicContact CD1-CB 3.47Å; L245-L343 VanDerWaalsContact CD1-CB 3.47Å; L245-L343 HydrophobicContact CD1-CD1 4.29Å; V247-L343 HydrophobicContact CG2-CD1 3.93Å; V247-L343 HydrophobicContact CG2-CD2 3.58Å; V247-L343 HydrophobicContact CG2-CG 4.35Å; L297-L343 HydrophobicContact CD2-CD2 3.79Å; L297-L343 HydrophobicContact CD2-CG 4.12Å; T339-L343 HydrophobicContact CG2-CD1 3.88Å; T339-L343 HydrophobicContact CG2-CG 4.19Å; T339-L343 WeakPolarHBondContact O-CB 3.24Å; T339-L343 VanDerWaalsContact O-CG 3.27Å; T339-L343 WeakPolarHBondContact O-CG 3.22Å; T339-L343 PolarHBondContact O-N 3.29Å; L343-S345 VanDerWaalsContact C-N 3.35Å; L343-S345 PolarHBondContact O-N 2.93Å; L343-L346 PolarHBondContact O-N 2.99Å; L343-L347 WeakPolarHBondContact O-CB 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.37Å; L343-L347 PolarHBondContact O-N 3.22Å |
| 344 | H | 94.1 | Very high | 85.7 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.9 | 178.9 | -94.8 | 0 | 0 | 0 | 111.7 | L245 G340 I341 M342 T348 | L245-H344 HydrophobicContact CD1-CB 4.38Å; L245-H344 HydrophobicContact CD2-CB 4.43Å; G340-H344 WeakPolarHBondContact O-CB 3.41Å; G340-H344 PolarHBondContact O-N 2.85Å; I341-H344 PolarHBondContact O-N 2.97Å; M342-H344 VanDerWaalsContact C-N 3.35Å; M342-H344 PolarHBondContact O-N 3.2Å; H344-T348 VanDerWaalsContact O-CB 3.22Å; H344-T348 WeakPolarHBondContact O-CB 3.45Å; H344-T348 PolarHBondContact O-N 3.28Å; H344-T348 PolarHBondContact O-OG1 3.26Å |
| 345 | S | 91.9 | Very high | 83.8 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | I341 M342 L343 K349 | I341-S345 WeakPolarHBondContact O-CB 3.2Å; I341-S345 PolarHBondContact O-N 2.65Å; M342-S345 PolarHBondContact O-N 2.85Å; L343-S345 VanDerWaalsContact C-N 3.35Å; L343-S345 PolarHBondContact O-N 2.93Å; S345-K349 WeakPolarHBondContact O-CG 3.47Å; S345-K349 PolarHBondContact O-N 3.49Å |
| 346 | L | 88.9 | Confident | 81.8 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -49.5 | -179.9 | -69.8 | 172.9 | 0 | 0 | 0 | 111.7 | L222 L297 L318 M342 L343 T348 K349 S350 | L222-L346 HydrophobicContact CD1-CD1 4.5Å; L297-L346 HydrophobicContact CB-CD1 4.31Å; L297-L346 HydrophobicContact CD1-CD1 4.29Å; L297-L346 HydrophobicContact CD2-CD1 4.21Å; L318-L346 HydrophobicContact CD1-CD1 4.38Å; L318-L346 HydrophobicContact CD1-CD2 4.23Å; M342-L346 WeakPolarHBondContact O-CG 3.28Å; M342-L346 PolarHBondContact O-N 3.25Å; L343-L346 PolarHBondContact O-N 2.99Å; L346-T348 PolarHBondContact O-N 3.16Å; L346-K349 PolarHBondContact O-N 2.88Å; L346-S350 PolarHBondContact O-N 3.32Å; L346-S350 VanDerWaalsContact O-N 3.16Å; L346-S350 PolarHBondContact O-OG 3.03Å |
| 347 | L | 85.3 | Confident | 79.7 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.2 | -31.4 | -174.8 | -70.7 | 164.7 | 0 | 0 | 0 | 112.9 | L222 L245 L343 R351 | L222-L347 HydrophobicContact CB-CD2 4.19Å; L222-L347 HydrophobicContact CD2-CD1 3.86Å; L222-L347 HydrophobicContact CD2-CD2 3.63Å; L222-L347 HydrophobicContact CD2-CG 3.58Å; L245-L347 HydrophobicContact CB-CD1 3.67Å; L245-L347 WeakPolarHBondContact O-CD1 3.42Å; L343-L347 WeakPolarHBondContact O-CB 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.37Å; L343-L347 PolarHBondContact O-N 3.22Å; L347-R351 VanDerWaalsContact O-CG 3.27Å; L347-R351 WeakPolarHBondContact O-CG 3.16Å; L347-R351 PolarHBondContact O-N 3.33Å; L347-R351 VanDerWaalsContact O-N 3.12Å |
| 348 | T | 83.2 | Confident | 77.6 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.2 | -58 | 0 | 0 | 0 | 0 | 111.4 | H344 L346 R351 C352 | H344-T348 VanDerWaalsContact O-CB 3.22Å; H344-T348 WeakPolarHBondContact O-CB 3.45Å; H344-T348 PolarHBondContact O-N 3.28Å; H344-T348 PolarHBondContact O-OG1 3.26Å; L346-T348 PolarHBondContact O-N 3.16Å; T348-R351 PolarHBondContact O-N 3.48Å; T348-C352 PolarHBondContact O-N 3.1Å; T348-C352 VanDerWaalsContact O-N 3.09Å |
| 349 | K | 74.3 | Confident | 75.4 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | 176.8 | -73.1 | 177.6 | -179.3 | -178.4 | 0 | 111.7 | S345 L346 R351 C352 L353 | S345-K349 WeakPolarHBondContact O-CG 3.47Å; S345-K349 PolarHBondContact O-N 3.49Å; L346-K349 PolarHBondContact O-N 2.88Å; K349-R351 VanDerWaalsContact C-N 3.32Å; K349-R351 PolarHBondContact O-N 2.75Å; K349-C352 PolarHBondContact O-N 3.3Å; K349-L353 WeakPolarHBondContact O-CG 3.38Å; K349-L353 PolarHBondContact O-N 3.21Å; K349-L353 VanDerWaalsContact O-N 3.07Å |
| 350 | S | 70.3 | Confident | 72.7 | Confident | 65 Ų | 65 | 86.5 Ų | 86.5 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 178.4 | -58 | 0 | 0 | 0 | 0 | 112.9 | L346 S354 | L346-S350 PolarHBondContact O-N 3.32Å; L346-S350 VanDerWaalsContact O-N 3.16Å; L346-S350 PolarHBondContact O-OG 3.03Å; S350-S354 PolarHBondContact O-N 3.32Å; S350-S354 VanDerWaalsContact O-N 3.13Å; S350-S354 PolarHBondContact O-OG 3.33Å |
| 351 | R | 68.4 | Low | 71.5 | Confident | 151 Ų | 151 | 90 Ų | 90 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.3 | -40.9 | 175.8 | -71.5 | 174.3 | -174 | -171.3 | 4.9 | 112.4 | L245 L347 T348 K349 L353 S354 Q355 | L245-R351 PolarHBondContact O-NH2 2.65Å; L347-R351 VanDerWaalsContact O-CG 3.27Å; L347-R351 WeakPolarHBondContact O-CG 3.16Å; L347-R351 PolarHBondContact O-N 3.33Å; L347-R351 VanDerWaalsContact O-N 3.12Å; T348-R351 PolarHBondContact O-N 3.48Å; K349-R351 VanDerWaalsContact C-N 3.32Å; K349-R351 PolarHBondContact O-N 2.75Å; R351-L353 VanDerWaalsContact C-N 3.35Å; R351-S354 PolarHBondContact O-N 3.31Å; R351-Q355 WeakPolarHBondContact O-CG 3.43Å; R351-Q355 PolarHBondContact O-N 3.12Å; R351-Q355 VanDerWaalsContact O-N 3.15Å |
| 352 | C | 60.1 | Low | 70.2 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.7 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | T348 K349 K356 | T348-C352 PolarHBondContact O-N 3.1Å; T348-C352 VanDerWaalsContact O-N 3.09Å; K349-C352 PolarHBondContact O-N 3.3Å; C352-K356 PolarHBondContact O-N 2.97Å |
| 353 | L | 59.2 | Low | 68.7 | Low | 80 Ų | 80 | 94 Ų | 94 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 176.8 | -70.6 | 164.3 | 0 | 0 | 0 | 112 | W16 K349 R351 Q355 K356 E357 | W16-L353 HydrophobicContact CH2-CD1 3.89Å; W16-L353 HydrophobicContact CZ3-CD1 3.96Å; K349-L353 WeakPolarHBondContact O-CG 3.38Å; K349-L353 PolarHBondContact O-N 3.21Å; K349-L353 VanDerWaalsContact O-N 3.07Å; R351-L353 VanDerWaalsContact C-N 3.35Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 3.19Å; L353-K356 PolarHBondContact O-N 2.98Å; L353-K356 VanDerWaalsContact O-N 3.11Å; L353-E357 PolarHBondContact O-N 2.95Å |
| 354 | S | 58.2 | Low | 67.2 | Low | 68 Ų | 68 | 99.5 Ų | 99.5 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -32 | 179 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | S350 R351 S358 | S350-S354 PolarHBondContact O-N 3.32Å; S350-S354 VanDerWaalsContact O-N 3.13Å; S350-S354 PolarHBondContact O-OG 3.33Å; R351-S354 PolarHBondContact O-N 3.31Å; S354-S358 PolarHBondContact O-N 3.25Å; S354-S358 PolarHBondContact O-OG 2.68Å |
| 355 | Q | 56 | Low | 65.5 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.5 | -22.6 | 175.7 | -74.8 | -176.1 | 0.9 | 0 | 0 | 113.9 | R351 L353 S358 R359 | R351-Q355 WeakPolarHBondContact O-CG 3.43Å; R351-Q355 PolarHBondContact O-N 3.12Å; R351-Q355 VanDerWaalsContact O-N 3.15Å; L353-Q355 VanDerWaalsContact C-N 3.28Å; L353-Q355 PolarHBondContact O-N 3.19Å; Q355-S358 WeakPolarHBondContact CA-OG 3.28Å; Q355-S358 PolarHBondContact O-OG 3.44Å; Q355-R359 WeakPolarHBondContact O-CG 3.31Å |
| 356 | K | 55.3 | Low | 63.8 | Low | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -81.2 | -40.5 | 174.4 | -76 | -176.8 | 178.2 | -176.5 | 0 | 112 | C352 L353 S358 R359 S360 | C352-K356 PolarHBondContact O-N 2.97Å; L353-K356 PolarHBondContact O-N 2.98Å; L353-K356 VanDerWaalsContact O-N 3.11Å; K356-S358 VanDerWaalsContact C-N 3.26Å; K356-S358 PolarHBondContact O-N 3.46Å; K356-R359 PolarHBondContact O-N 3.08Å; K356-S360 PolarHBondContact O-N 3.3Å; K356-S360 PolarHBondContact O-OG 3.43Å |
| 357 | E | 53 | Low | 62 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -22.4 | 177.1 | -75.7 | -176.8 | 146.7 | 0 | 0 | 113.3 | R18 L353 | R18-E357 IonicContact CZ-OE1 2.66Å; R18-E357 IonicContact NH1-OE1 3.04Å; R18-E357 IonicContact NH2-OE1 3.44Å; R18-E357 PolarHBondContact NH2-OE1 3.32Å; L353-E357 PolarHBondContact O-N 2.95Å |
| 358 | S | 52.8 | Low | 60.2 | Low | 90 Ų | 90 | 112.6 Ų | 112.6 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6.2 | 177.5 | 44.7 | 0 | 0 | 0 | 0 | 114.6 | S354 Q355 K356 | S354-S358 PolarHBondContact O-N 3.25Å; S354-S358 PolarHBondContact O-OG 2.68Å; Q355-S358 WeakPolarHBondContact CA-OG 3.28Å; Q355-S358 PolarHBondContact O-OG 3.44Å; K356-S358 VanDerWaalsContact C-N 3.26Å; K356-S358 PolarHBondContact O-N 3.46Å |
| 359 | R | 49.8 | Very low | 58.2 | Low | 213 Ų | 213 | 116.2 Ų | 116.2 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -109.2 | -0.1 | 177 | -71.7 | -178.9 | 177.5 | -174.2 | 0.5 | 113.2 | Q355 K356 | Q355-R359 WeakPolarHBondContact O-CG 3.31Å; K356-R359 PolarHBondContact O-N 3.08Å | ||
| 360 | S | 41.6 | Very low | 56.8 | Low | 156 Ų | 156 | 115.1 Ų | 115.1 | 100% | 1.091 | 60% | 0.601 | S | S | * | * | trans | -106.5 | 0 | 173.1 | -48.4 | 0 | 0 | 0 | 0 | 108.3 | K356 | K356-S360 PolarHBondContact O-N 3.3Å; K356-S360 PolarHBondContact O-OG 3.43Å |
Retrieved 360 of 360 residues in 120.3 ms
(Link to these results)