| 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 | 32 | Very low | 32.1 | Very low | 200 Ų | 200 | 157.8 Ų | 157.8 | 99% | 0.985 | 74% | 0.737 | S | S | * | * | 0 | -71.6 | 0 | -59.5 | -43.1 | -119.4 | 0 | 0 | 112.6 | R3 L4 | M1-R3 PolarHBondContact O-N 3.45Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.16Å | |||
| 2 | F | 28.7 | Very low | 32 | Very low | 140 Ų | 140 | 159.3 Ų | 159.3 | 61% | 0.614 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 18.7 | 178.9 | -105 | -89 | 0 | 0 | 0 | 116.9 | F30 | F2-F30 HydrophobicContact CE2-CE1 4.47Å; F2-F30 HydrophobicContact CZ-CD1 4.22Å; F2-F30 HydrophobicContact CZ-CD2 4.06Å; F2-F30 HydrophobicContact CZ-CE1 4.06Å; F2-F30 AromaticContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CG 4.22Å; F2-F30 AromaticContact CZ-CZ 3.9Å; F2-F30 HydrophobicContact CZ-CZ 3.9Å |
| 3 | R | 28.6 | Very low | 31.6 | Very low | 218 Ų | 218 | 154.8 Ų | 154.8 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 2.7 | 177 | -90 | -173.2 | 173.1 | 179.4 | -1.8 | 114.5 | M1 I7 | M1-R3 PolarHBondContact O-N 3.45Å; R3-I7 VanDerWaalsContact O-CD1 3.27Å; R3-I7 WeakPolarHBondContact O-CD1 3.47Å |
| 4 | L | 33.8 | Very low | 31.2 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 64% | 0.644 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -36 | 176.3 | -87.8 | 162.9 | 0 | 0 | 0 | 113.4 | M1 F6 I7 | M1-L4 PolarHBondContact O-N 3.43Å; M1-L4 VanDerWaalsContact O-N 3.16Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.32Å; L4-I7 PolarHBondContact O-N 3.11Å |
| 5 | V | 36.6 | Very low | 31 | Very low | 115 Ų | 115 | 162.5 Ų | 162.5 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -65.3 | -35.6 | 175 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | I7 Q8 | V5-I7 PolarHBondContact O-N 3.14Å; V5-Q8 PolarHBondContact O-N 3.16Å |
| 6 | F | 34 | Very low | 30.9 | Very low | 154 Ų | 154 | 158.5 Ų | 158.5 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -69.1 | -10.4 | 178.6 | -119.2 | -85.6 | 0 | 0 | 0 | 114.9 | L4 | L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.32Å |
| 7 | I | 35.1 | Very low | 30.7 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 57% | 0.569 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -92.9 | -23.5 | -179.6 | -68.5 | 177.8 | 0 | 0 | 0 | 111.4 | R3 L4 V5 | R3-I7 VanDerWaalsContact O-CD1 3.27Å; R3-I7 WeakPolarHBondContact O-CD1 3.47Å; L4-I7 PolarHBondContact O-N 3.11Å; V5-I7 PolarHBondContact O-N 3.14Å |
| 8 | Q | 31.6 | Very low | 30.6 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -90.7 | -13.4 | -175.2 | -145.6 | 152.5 | -8.1 | 0 | 0 | 113.8 | V5 | V5-Q8 PolarHBondContact O-N 3.16Å |
| 9 | C | 31.6 | Very low | 30.6 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -0.4 | 167.4 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 10 | Y | 30.2 | Very low | 30.5 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -95.6 | 10.3 | -173.9 | -154.9 | -97.9 | 0 | 0 | 0 | 113.9 | ||
| 11 | Y | 30.8 | Very low | 30.3 | Very low | 201 Ų | 201 | 152 Ų | 152 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -135.8 | 11.1 | -167.2 | -111.6 | -75.7 | 0 | 0 | 0 | 117.2 | ||
| 12 | L | 31.1 | Very low | 30.1 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -126.9 | 31.5 | 173.9 | -78.8 | 174 | 0 | 0 | 0 | 113.4 | ||||
| 13 | S | 26.7 | Very low | 30.1 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -105.5 | 56.9 | -178.8 | 64 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 14 | Q | 26.1 | Very low | 30 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -149.4 | 120.9 | 156.5 | -74.3 | -158.2 | 4.4 | 0 | 0 | 111 | ||||
| 15 | W | 28.9 | Very low | 29.8 | Very low | 249 Ų | 249 | 146.9 Ų | 146.9 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 168.6 | 102.9 | 134.1 | -103.2 | 76.5 | 0 | 0 | 0 | 109.8 | ||
| 16 | S | 29.2 | Very low | 29.2 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 39.6 | 99.8 | 155.5 | -168.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 17 | V | 27.6 | Very low | 28.9 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | 67.4 | 117.7 | 84.9 | 170.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 18 | S | 29 | Very low | 28.4 | Very low | 96 Ų | 96 | 150.5 Ų | 150.5 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | -152.6 | 151.3 | 50.1 | -47.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 19 | N | 28.9 | Very low | 28.3 | Very low | 158 Ų | 158 | 153 Ų | 153 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 45.5 | 130.3 | 146.4 | -55.2 | -7.9 | 0 | 0 | 0 | 121 | ||||
| 20 | S | 29.4 | Very low | 28 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -160.9 | 122.1 | -3 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 21 | I | 25.9 | Very low | 27.8 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | -135.1 | 126.2 | 172.5 | -63.8 | 175.2 | 0 | 0 | 0 | 108.9 | ||||
| 22 | S | 27.7 | Very low | 27.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -174.9 | 151.5 | 161.3 | -79.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 23 | S | 30.2 | Very low | 27.4 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | cis | -121.9 | 147.7 | 14.8 | -168.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 24 | L | 26.5 | Very low | 27.4 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | trans | -69.5 | 156.4 | 158 | -81.9 | 58.4 | 0 | 0 | 0 | 109.6 | ||||
| 25 | Y | 27.7 | Very low | 27.5 | Very low | 221 Ų | 221 | 142.3 Ų | 142.3 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | trans | -128.7 | 103.8 | 142.8 | -118.2 | -85.3 | 0 | 0 | 0 | 108.5 | ||||
| 26 | C | 24.6 | Very low | 27.4 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 56% | 0.561 | 75% | 0.753 | S | S | * | * | trans | -79.8 | 133.2 | 172.4 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 27 | Y | 27.6 | Very low | 27.6 | Very low | 216 Ų | 216 | 142 Ų | 142 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | -129.7 | 99.9 | 149.8 | -111.4 | -84.9 | 0 | 0 | 0 | 110.1 | ||||
| 28 | Y | 25.9 | Very low | 27.5 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | trans | -65.5 | 144.2 | 160.9 | -94.2 | -105.4 | 0 | 0 | 0 | 109.2 | F30 | Y28-F30 HydrophobicContact CD1-CD2 4.08Å; Y28-F30 HydrophobicContact CE1-CD2 4.16Å; Y28-F30 HydrophobicContact CE1-CE2 4.26Å | ||
| 29 | Y | 28.2 | Very low | 27.4 | Very low | 227 Ų | 227 | 150.1 Ų | 150.1 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | -153.5 | 162.1 | 120.7 | -116.9 | -79.6 | 0 | 0 | 0 | 110.8 | |||||
| 30 | F | 26 | Very low | 27.1 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 55% | 0.548 | 76% | 0.763 | S | S | . | * | trans | -137 | 155.1 | -160.5 | -128.4 | -79 | 0 | 0 | 0 | 111.9 | F2 Y28 | F2-F30 HydrophobicContact CE2-CE1 4.47Å; F2-F30 HydrophobicContact CZ-CD1 4.22Å; F2-F30 HydrophobicContact CZ-CD2 4.06Å; F2-F30 HydrophobicContact CZ-CE1 4.06Å; F2-F30 AromaticContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CE2 3.9Å; F2-F30 HydrophobicContact CZ-CG 4.22Å; F2-F30 AromaticContact CZ-CZ 3.9Å; F2-F30 HydrophobicContact CZ-CZ 3.9Å; Y28-F30 HydrophobicContact CD1-CD2 4.08Å; Y28-F30 HydrophobicContact CE1-CD2 4.16Å; Y28-F30 HydrophobicContact CE1-CE2 4.26Å | ||
| 31 | N | 26.4 | Very low | 27 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | trans | 82.8 | 120 | 156.5 | -70.8 | -46 | 0 | 0 | 0 | 122.2 | ||||
| 32 | C | 25.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | 64.3 | 110.1 | 122.1 | -60 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 33 | S | 26.7 | Very low | 26.8 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 54.9 | 127.6 | 105.3 | -51.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 34 | D | 27.2 | Very low | 26.5 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 63.7 | 83.4 | 140 | -52.3 | -26.6 | 0 | 0 | 0 | 120 | ||||
| 35 | C | 28.2 | Very low | 26.5 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 91% | 0.912 | 75% | 0.752 | S | S | * | * | trans | -162.2 | 160.1 | 132.5 | -102.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 36 | Y | 27.4 | Very low | 26.4 | Very low | 235 Ų | 235 | 151.4 Ų | 151.4 | 92% | 0.922 | 75% | 0.745 | S | S | * | * | trans | -79.1 | 159.9 | -173.7 | -105.2 | -120.8 | 0 | 0 | 0 | 114.2 | ||||
| 37 | P | 32.6 | Very low | 26.5 | Very low | 104 Ų | 104 | 152.8 Ų | 152.8 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | -96.7 | 162.7 | -166.2 | 38.2 | -36.7 | 0 | 0 | 0 | 114.7 | ||||
| 38 | Y | 25.9 | Very low | 26.5 | Very low | 228 Ų | 228 | 148 Ų | 148 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | trans | -165.7 | 157.2 | 145.3 | -113.9 | -72.5 | 0 | 0 | 0 | 113.3 | ||||
| 39 | L | 26.4 | Very low | 26.4 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | 79.7 | 146.6 | 163.2 | -74.6 | 161.7 | 0 | 0 | 0 | 120.2 | ||||
| 40 | I | 22.5 | Very low | 26.3 | Very low | 144 Ų | 144 | 145 Ų | 145 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -124.7 | 142.7 | -163.4 | -66.5 | 160.6 | 0 | 0 | 0 | 108.9 | ||||
| 41 | H | 26.9 | Very low | 26.3 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 173.5 | 125 | 141.7 | -93.1 | -56.3 | 0 | 0 | 0 | 108.2 | ||||
| 42 | S | 23.8 | Very low | 26.3 | Very low | 84 Ų | 84 | 149 Ų | 149 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | 88.8 | 153.9 | 69.9 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 43 | F | 25.8 | Very low | 26.2 | Very low | 188 Ų | 188 | 152.3 Ų | 152.3 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 72.7 | 112.2 | -163.5 | -56.4 | -78.4 | 0 | 0 | 0 | 113.5 | ||||
| 44 | E | 24.2 | Very low | 26.3 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | cis | 86.1 | 128.5 | 26.1 | -57.2 | -168.2 | 124 | 0 | 0 | 117.1 | ||||
| 45 | I | 25.8 | Very low | 26.2 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | 73.8 | 140.1 | 138.5 | -74.2 | 169.9 | 0 | 0 | 0 | 116 | ||||
| 46 | E | 26.2 | Very low | 26 | Very low | 156 Ų | 156 | 153 Ų | 153 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | cis | -161.2 | 174 | 16.1 | -141.4 | 162.9 | -157.3 | 0 | 0 | 114.8 | ||||
| 47 | T | 27.2 | Very low | 25.8 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | trans | 65.3 | 134.8 | 154 | 48.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 48 | V | 26.7 | Very low | 25.3 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | cis | 95.4 | 133.2 | 36.8 | 163.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 49 | Y | 25.4 | Very low | 25.2 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 75% | 0.745 | 74% | 0.743 | S | S | * | * | cis | -163.8 | 173.4 | 0.6 | -124.4 | -146.9 | 0 | 0 | 0 | 111.3 | ||||
| 50 | N | 25.4 | Very low | 25.2 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 64.2 | 154 | 155.7 | -64.9 | -15.3 | 0 | 0 | 0 | 119.7 | ||||
| 51 | L | 25.9 | Very low | 25.4 | Very low | 145 Ų | 145 | 144 Ų | 144 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -123.8 | 138.6 | -6.9 | -79.5 | 95.7 | 0 | 0 | 0 | 107.9 | ||||
| 52 | Q | 25.3 | Very low | 25.5 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | 70.6 | 101.8 | 67.6 | -167.2 | 179 | 4.9 | 0 | 0 | 115.2 | |||||
| 53 | L | 25.8 | Very low | 25.6 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | trans | -146.2 | 141.3 | 160.2 | -154.5 | 146.6 | 0 | 0 | 0 | 108.9 | ||||
| 54 | S | 27.3 | Very low | 25.5 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | -98.1 | 122.6 | -157.4 | 52.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 55 | I | 24.8 | Very low | 25.6 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | 39.8 | 114.9 | 124.6 | -54.8 | 172.5 | 0 | 0 | 0 | 117.4 | I57 | I55-I57 HydrophobicContact CG2-CD1 4.29Å; I55-I57 HydrophobicContact CG2-CG1 3.45Å; I55-I57 VanDerWaalsContact CG2-CG1 3.45Å | |||
| 56 | N | 23.8 | Very low | 25.5 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | -115.1 | 139.6 | 134.8 | -105.3 | -30.2 | 0 | 0 | 0 | 107.5 | ||||
| 57 | I | 23.5 | Very low | 25.4 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 68% | 0.677 | 76% | 0.756 | S | S | * | * | trans | -91.6 | 112.9 | -166.6 | -57 | 174.5 | 0 | 0 | 0 | 111.1 | I55 | I55-I57 HydrophobicContact CG2-CD1 4.29Å; I55-I57 HydrophobicContact CG2-CG1 3.45Å; I55-I57 VanDerWaalsContact CG2-CG1 3.45Å | ||
| 58 | F | 23.8 | Very low | 25.2 | Very low | 155 Ų | 155 | 154 Ų | 154 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -123.4 | 133.4 | 149 | -107.4 | -89.4 | 0 | 0 | 0 | 108.3 | S60 | F58-S60 PolarHBondContact O-N 2.89Å; F58-S60 VanDerWaalsContact O-N 3.14Å | ||
| 59 | H | 23.7 | Very low | 25 | Very low | 146 Ų | 146 | 154.9 Ų | 154.9 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | trans | -93.3 | 72.6 | -158 | -147.9 | -68.2 | 0 | 0 | 0 | 112.7 | Q61 | H59-Q61 PolarHBondContact CE1-OE1 3.46Š| ||
| 60 | S | 26.2 | Very low | 25.1 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -94.2 | 119.7 | 164.3 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | F58 | F58-S60 PolarHBondContact O-N 2.89Å; F58-S60 VanDerWaalsContact O-N 3.14Å | ||
| 61 | Q | 26.5 | Very low | 25 | Very low | 145 Ų | 145 | 158.6 Ų | 158.6 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -145.7 | 139.2 | 173.5 | -73.9 | -175.5 | -15.6 | 0 | 0 | 108.6 | H59 | H59-Q61 PolarHBondContact CE1-OE1 3.46Š| ||
| 62 | N | 27.7 | Very low | 25 | Very low | 151 Ų | 151 | 163 Ų | 163 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | cis | -150.6 | 149.2 | -13.5 | -120.6 | -8.4 | 0 | 0 | 0 | 109 | ||||
| 63 | D | 26.3 | Very low | 25 | Very low | 132 Ų | 132 | 161 Ų | 161 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -109.8 | 148.8 | -175.9 | -146.2 | -2.4 | 0 | 0 | 0 | 110.3 | ||||
| 64 | Y | 24.9 | Very low | 25.1 | Very low | 189 Ų | 189 | 161.3 Ų | 161.3 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 42.5 | 127.8 | 174.1 | -67.8 | -90.6 | 0 | 0 | 0 | 120.6 | ||||
| 65 | Y | 24.5 | Very low | 24.9 | Very low | 210 Ų | 210 | 161.9 Ų | 161.9 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | 164.6 | 129.9 | 111.1 | -98.9 | -76.7 | 0 | 0 | 0 | 110.6 | |||||
| 66 | Y | 25.7 | Very low | 25 | Very low | 230 Ų | 230 | 162.5 Ų | 162.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | -171.9 | 138.7 | 118.4 | -112.8 | -76.6 | 0 | 0 | 0 | 111.1 | |||||
| 67 | Y | 23 | Very low | 25.1 | Very low | 208 Ų | 208 | 163.4 Ų | 163.4 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -102.2 | 162.6 | 176.7 | -128.9 | -93.4 | 0 | 0 | 0 | 110.4 | ||||
| 68 | C | 22.7 | Very low | 25.3 | Very low | 94 Ų | 94 | 169 Ų | 169 | 64% | 0.635 | 78% | 0.783 | S | S | * | * | trans | 61.3 | 105.5 | 167.6 | -67.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 69 | N | 23.4 | Very low | 25.5 | Very low | 134 Ų | 134 | 169.8 Ų | 169.8 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | 168.2 | 130.6 | 92.1 | -85.8 | -55.4 | 0 | 0 | 0 | 112 | |||||
| 70 | Y | 26.4 | Very low | 25.7 | Very low | 222 Ų | 222 | 170.3 Ų | 170.3 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | -176.1 | 143.9 | 100.7 | -113.2 | -80.7 | 0 | 0 | 0 | 113.9 | |||||
| 71 | F | 23.5 | Very low | 25.7 | Very low | 176 Ų | 176 | 173.5 Ų | 173.5 | 77% | 0.772 | 80% | 0.798 | S | S | * | * | trans | -78.5 | 137.7 | 175.4 | -98.3 | -112.5 | 0 | 0 | 0 | 113.3 | I73 | F71-I73 HydrophobicContact CD1-CD1 3.98Å; F71-I73 HydrophobicContact CD1-CG1 4.09Å | ||
| 72 | R | 26.5 | Very low | 25.7 | Very low | 239 Ų | 239 | 171.6 Ų | 171.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -170.1 | 107.2 | 142.2 | -108.1 | 166.4 | 177.3 | 164.7 | -0.4 | 107.9 | ||||
| 73 | I | 24.8 | Very low | 25.8 | Very low | 134 Ų | 134 | 171.9 Ų | 171.9 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | 49 | 85.3 | 65.7 | -47.2 | 179.4 | 0 | 0 | 0 | 111.9 | F71 | F71-I73 HydrophobicContact CD1-CD1 3.98Å; F71-I73 HydrophobicContact CD1-CG1 4.09Å | |||
| 74 | E | 27 | Very low | 25.8 | Very low | 179 Ų | 179 | 170.5 Ų | 170.5 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | -149.1 | 96.5 | 127.7 | -138.4 | 174.1 | -129.6 | 0 | 0 | 113.2 | |||||
| 75 | S | 24.8 | Very low | 26 | Very low | 110 Ų | 110 | 167.4 Ų | 167.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -146.9 | 152.8 | 157 | -88.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 76 | V | 25.6 | Very low | 26.2 | Very low | 146 Ų | 146 | 166 Ų | 166 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 65.9 | 68.7 | -169.2 | -163.2 | 0 | 0 | 0 | 0 | 114 | ||
| 77 | K | 27.3 | Very low | 26.4 | Very low | 191 Ų | 191 | 159.5 Ų | 159.5 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -147.6 | 40.6 | 152.4 | -127.9 | 170.3 | -171.6 | 176.9 | 0 | 116.5 | Q79 | K77-Q79 PolarHBondContact O-N 3.38Š| ||
| 78 | R | 26.6 | Very low | 26.5 | Very low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 76% | 0.763 | S | S | * | * | trans | -94.2 | 69.5 | 160.7 | -78.8 | -165.7 | 179.4 | -161.6 | -0 | 111.7 | ||||
| 79 | Q | 27.9 | Very low | 26.9 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -162.3 | 147.6 | 159.4 | -114.1 | 167.3 | 12.1 | 0 | 0 | 110.9 | K77 | K77-Q79 PolarHBondContact O-N 3.38Š| ||
| 80 | L | 27.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 64.3 | 78.3 | 165.7 | -62.9 | 164.7 | 0 | 0 | 0 | 117.7 | ||||
| 81 | H | 27 | Very low | 26.8 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | 25.6 | 143.8 | 119.5 | -84.1 | -98.4 | 0 | 0 | 0 | 121.8 | |||||
| 82 | S | 27.1 | Very low | 26.9 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 62.1 | 118.9 | 154.3 | 64.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 83 | I | 29 | Very low | 26.9 | Very low | 158 Ų | 158 | 149 Ų | 149 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | -161.1 | 140 | 67.8 | -82.3 | 155.8 | 0 | 0 | 0 | 108.9 | |||||
| 84 | P | 26.9 | Very low | 26.8 | Very low | 102 Ų | 102 | 151.5 Ų | 151.5 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | trans | -97.5 | 149.6 | 178.2 | 36 | -32.6 | 0 | 0 | 0 | 113.6 | ||||
| 85 | N | 28.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | 166.3 | 149.3 | 124 | -96.6 | -76.9 | 0 | 0 | 0 | 114.1 | |||||
| 86 | K | 28.4 | Very low | 26.9 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | 41.7 | 127 | 140.2 | -61.5 | 165.2 | -175.8 | 174.8 | 0 | 118.2 | ||||
| 87 | S | 30.1 | Very low | 26.8 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | cis | 173.8 | 174.8 | 36.4 | 39.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 88 | N | 26.5 | Very low | 26.8 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 42% | 0.422 | 75% | 0.751 | S | S | . | * | trans | -31.5 | 140.2 | 168.7 | -66.1 | -2.2 | 0 | 0 | 0 | 115.8 | K237 | N88-K237 PolarHBondContact ND2-NZ 3.03Å; N88-K237 VanDerWaalsContact ND2-NZ 3.11Å; N88-K237 VanDerWaalsContact OD1-CD 3.28Å; N88-K237 WeakPolarHBondContact OD1-CD 3.34Å; N88-K237 WeakPolarHBondContact OD1-CE 3.21Å; N88-K237 PolarHBondContact OD1-NZ 2.94Å; N88-K237 VanDerWaalsContact OD1-NZ 3.16Å | ||
| 89 | N | 29.5 | Very low | 26.8 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | -159 | 155.4 | 94.6 | -93 | -16.8 | 0 | 0 | 0 | 112.2 | |||||
| 90 | S | 25.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -71.4 | 135.2 | -179.8 | 44.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 91 | W | 24.5 | Very low | 26.7 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -125.5 | 119.8 | 162.2 | -82.2 | 78.9 | 0 | 0 | 0 | 108.9 | F93 | W91-F93 HydrophobicContact CE3-CD2 4.46Å; W91-F93 AromaticContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CZ3-CE2 4.41Å | ||
| 92 | N | 24.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -102.2 | 109.4 | -177.3 | -175.8 | -2.5 | 0 | 0 | 0 | 108.2 | ||||
| 93 | F | 26.9 | Very low | 26.6 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | -110.4 | 68.1 | -175.8 | -104.4 | -78.8 | 0 | 0 | 0 | 112.6 | W91 N95 | W91-F93 HydrophobicContact CE3-CD2 4.46Å; W91-F93 AromaticContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CE3-CE2 3.83Å; W91-F93 HydrophobicContact CZ3-CE2 4.41Å; F93-N95 PolarHBondContact O-N 2.91Å | ||
| 94 | K | 23 | Very low | 26.5 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 81% | 0.809 | 73% | 0.73 | S | S | * | * | trans | -73.7 | 104.3 | 137.5 | -80.6 | -172 | 175.9 | -176.1 | 0 | 107.2 | ||||
| 95 | N | 26 | Very low | 26.4 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | 162.2 | 109 | 149 | -86.2 | -16.4 | 0 | 0 | 0 | 110.5 | F93 | F93-N95 PolarHBondContact O-N 2.91Š| ||
| 96 | L | 26.8 | Very low | 26.3 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -158.8 | 91.9 | 147.7 | -116.6 | 162.9 | 0 | 0 | 0 | 108.9 | Y98 | L96-Y98 HydrophobicContact CD2-CD2 4.16Å; L96-Y98 HydrophobicContact CD2-CE2 4.37Å | ||
| 97 | T | 23.9 | Very low | 26.3 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | -120 | 111.2 | -176.3 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 98 | Y | 27.2 | Very low | 26.2 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | -141.6 | 111.7 | 166.6 | -77.8 | -85.5 | 0 | 0 | 0 | 106.6 | L96 | L96-Y98 HydrophobicContact CD2-CD2 4.16Å; L96-Y98 HydrophobicContact CD2-CE2 4.37Å | ||
| 99 | R | 25.4 | Very low | 26.2 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | 71.9 | 105.5 | 75.7 | -74.1 | -173.8 | 168.6 | -169.5 | -3.4 | 112 | |||||
| 100 | F | 24.6 | Very low | 26.1 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | 74.4 | 150.7 | 80.4 | -91.7 | -85.6 | 0 | 0 | 0 | 111.8 | |||||
| 101 | P | 30.2 | Very low | 26 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | cis | -140.2 | 179.4 | 11 | 43.7 | -25.6 | 0 | 0 | 0 | 117.9 | ||||
| 102 | E | 24.8 | Very low | 26.1 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 51 | 151.9 | 141.3 | -69.8 | 145.1 | -148.2 | 0 | 0 | 121.1 | ||||
| 103 | V | 27 | Very low | 26.1 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | -160.5 | 140.5 | 56.1 | 159.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 104 | L | 26.3 | Very low | 26.1 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 17.2 | 144.1 | 146.7 | -47.2 | 172.8 | 0 | 0 | 0 | 119.7 | ||||
| 105 | N | 25.3 | Very low | 26.2 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | cis | -172.7 | -166.8 | 3.5 | -113.8 | 8.5 | 0 | 0 | 0 | 107.8 | ||||
| 106 | F | 27 | Very low | 26.2 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 82% | 0.82 | 73% | 0.725 | S | S | * | * | cis | -161.3 | 141.8 | 5.5 | -126.1 | -41 | 0 | 0 | 0 | 110.1 | ||||
| 107 | G | 27.2 | Very low | 26 | Very low | 63 Ų | 63 | 145.4 Ų | 145.4 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | trans | 71.4 | 143.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 108 | N | 27.7 | Very low | 26.2 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | cis | -151.3 | 129 | -0.6 | -89.2 | -24.7 | 0 | 0 | 0 | 112.3 | ||||
| 109 | I | 26.6 | Very low | 26 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | 52 | 129.7 | 123.7 | -56.5 | 165.1 | 0 | 0 | 0 | 118.1 | I111 | I109-I111 HydrophobicContact CG2-CD1 4.48Š| |||
| 110 | N | 27.2 | Very low | 26 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | cis | -123 | 144.3 | 15.9 | -70.4 | -80.4 | 0 | 0 | 0 | 110.5 | ||||
| 111 | I | 24.6 | Very low | 26 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | cis | 75 | 95.4 | 47.6 | -54 | 169 | 0 | 0 | 0 | 114.5 | I109 I113 | I109-I111 HydrophobicContact CG2-CD1 4.48Å; I111-I113 HydrophobicContact CG2-CD1 3.89Å | ||
| 112 | K | 26.2 | Very low | 25.8 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | 177.7 | 148.2 | 123.9 | -96.9 | 177.2 | -179.3 | -178.7 | 0 | 111.2 | |||||
| 113 | I | 25.2 | Very low | 26 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 64% | 0.641 | 72% | 0.724 | S | S | * | * | cis | -176.3 | 141.7 | -39.8 | -114 | 166.3 | 0 | 0 | 0 | 108.4 | I111 | I111-I113 HydrophobicContact CG2-CD1 3.89Š| ||
| 114 | I | 26 | Very low | 25.9 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | 66 | 144.7 | 161.5 | -78.1 | 169.4 | 0 | 0 | 0 | 118 | ||||
| 115 | D | 25.3 | Very low | 26 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | cis | -172.9 | 166.2 | -27.7 | -136.3 | -14.2 | 0 | 0 | 0 | 112.2 | ||||
| 116 | Q | 26 | Very low | 25.9 | Very low | 146 Ų | 146 | 138 Ų | 138 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | 58.3 | 122.3 | 151.6 | -64.7 | 163 | 53.2 | 0 | 0 | 121 | ||||
| 117 | F | 23 | Very low | 25.8 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | 67.3 | 156.9 | 79 | -76.1 | -62.3 | 0 | 0 | 0 | 116.4 | |||||
| 118 | P | 27.4 | Very low | 25.6 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | cis | -141.5 | 163.3 | -29.8 | 39.2 | -20.5 | 0 | 0 | 0 | 117.7 | ||||
| 119 | F | 23 | Very low | 25.6 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 82% | 0.816 | 69% | 0.69 | S | S | * | * | trans | 42.2 | 141 | 145.2 | -82 | -88 | 0 | 0 | 0 | 127.5 | ||||
| 120 | N | 24.8 | Very low | 25.5 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | trans | 94.3 | 107 | 136.6 | -90.3 | -8.3 | 0 | 0 | 0 | 125.3 | ||||
| 121 | N | 25.1 | Very low | 25.4 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | 41.8 | 119.7 | 127.2 | -57.4 | -0.6 | 0 | 0 | 0 | 123.4 | |||||
| 122 | N | 25.6 | Very low | 25.5 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | 176.3 | 177.2 | 103.4 | -96.3 | -34.9 | 0 | 0 | 0 | 114.3 | |||||
| 123 | I | 28.8 | Very low | 25.6 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | 93.2 | 83.4 | 163.2 | -46 | -179.2 | 0 | 0 | 0 | 117.9 | ||||
| 124 | N | 26.5 | Very low | 25.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | 49.3 | 138.4 | 122.3 | -60 | 7.1 | 0 | 0 | 0 | 124.4 | |||||
| 125 | N | 27.2 | Very low | 25.6 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | 88.8 | 115.3 | 145.1 | -70.4 | 5.3 | 0 | 0 | 0 | 121.3 | ||||
| 126 | T | 23.8 | Very low | 25.6 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 59% | 0.589 | 70% | 0.696 | S | S | * | * | trans | 54.7 | 93.1 | 141.8 | 55.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 127 | V | 24.3 | Very low | 25.5 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 58% | 0.582 | 69% | 0.694 | S | S | * | * | trans | -167.7 | 119.8 | 148.4 | 122.6 | 0 | 0 | 0 | 0 | 110.2 | Y129 S286 | V127-Y129 HydrophobicContact CB-CD2 4.25Å; V127-Y129 HydrophobicContact CG1-CD2 3.86Å; V127-Y129 HydrophobicContact CG1-CG 4.44Å; V127-Y129 HydrophobicContact CG2-CD2 3.67Å; V127-Y129 HydrophobicContact CG2-CE2 3.86Å; V127-S286 PolarHBondContact N-OG 3.2Å; V127-S286 WeakPolarHBondContact O-CB 3.25Å | ||
| 128 | K | 23.3 | Very low | 25.6 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 45% | 0.452 | 69% | 0.687 | S | S | . | * | trans | -93.9 | 98.1 | 155 | -107.8 | -172.6 | -91.5 | 163.7 | 0 | 106.1 | T284 S285 | K128-T284 VanDerWaalsContact CB-CB 3.45Å; K128-T284 HydrophobicContact CB-CG2 3.81Å; K128-T284 HydrophobicContact CD-CG2 4.27Å; K128-T284 PolarHBondContact N-O 2.96Å; K128-T284 WeakPolarHBondContact O-CB 2.9Å; K128-S285 VanDerWaalsContact CE-N 3.3Å; K128-S285 WeakPolarHBondContact CE-O 3.42Å | ||
| 129 | Y | 27.4 | Very low | 25.6 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | trans | -127.2 | 125.1 | 158.5 | -77.7 | -109.6 | 0 | 0 | 0 | 104.5 | V127 | V127-Y129 HydrophobicContact CB-CD2 4.25Å; V127-Y129 HydrophobicContact CG1-CD2 3.86Å; V127-Y129 HydrophobicContact CG1-CG 4.44Å; V127-Y129 HydrophobicContact CG2-CD2 3.67Å; V127-Y129 HydrophobicContact CG2-CE2 3.86Å | ||
| 130 | S | 25.6 | Very low | 25.8 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 57% | 0.566 | 68% | 0.68 | S | S | * | * | cis | 65.1 | 109.3 | 48.9 | 88 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 131 | N | 24.8 | Very low | 26 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | trans | 52 | 69.7 | 164.2 | -62.8 | -12 | 0 | 0 | 0 | 118.1 | ||||
| 132 | I | 25.5 | Very low | 26 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | -139 | 127.1 | 154 | -49.2 | 176.7 | 0 | 0 | 0 | 107 | ||||
| 133 | S | 28.3 | Very low | 26.2 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | cis | -105.3 | 146.5 | -9.2 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 134 | F | 25.3 | Very low | 26 | Very low | 169 Ų | 169 | 123 Ų | 123 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | cis | 73.9 | 98.3 | 9.2 | -146.1 | -91.8 | 0 | 0 | 0 | 116.8 | ||||
| 135 | V | 26.3 | Very low | 26 | Very low | 94 Ų | 94 | 124 Ų | 124 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | trans | 58 | 56.5 | 153.9 | -165.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 136 | A | 25.1 | Very low | 25.9 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -150.6 | 113.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 106 | ||
| 137 | Q | 24.9 | Very low | 26 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | S | Bend | cis | -120.3 | 94.3 | 25.7 | -59.8 | 168.4 | -37.8 | 0 | 0 | 113.1 | Q140 | Q137-Q140 HydrophobicContact CB-CB 4.25Å; Q137-Q140 HydrophobicContact CG-CB 4.5Å |
| 138 | I | 24.9 | Very low | 26 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 70% | 0.697 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -92.1 | 131.3 | 138.7 | -63.3 | 179 | 0 | 0 | 0 | 104.2 | ||
| 139 | I | 26.6 | Very low | 26.1 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 68% | 0.677 | 69% | 0.687 | S | S | * | * | trans | 74.8 | 37 | -165.2 | -34.4 | -173.9 | 0 | 0 | 0 | 115.1 | H141 | I139-H141 HydrophobicContact CB-CB 4.39Å; I139-H141 HydrophobicContact CG2-CB 3.79Å | ||
| 140 | Q | 28.5 | Very low | 25.9 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | -109.1 | 66.7 | 111.3 | -87 | -165.8 | -27.3 | 0 | 0 | 105.5 | Q137 | Q137-Q140 HydrophobicContact CB-CB 4.25Å; Q137-Q140 HydrophobicContact CG-CB 4.5Å | |||
| 141 | H | 27.2 | Very low | 25.9 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 56% | 0.56 | 70% | 0.698 | S | S | * | * | 40.6 | 95.6 | 78.5 | -122 | -112.4 | 0 | 0 | 0 | 113 | I139 | I139-H141 HydrophobicContact CB-CB 4.39Å; I139-H141 HydrophobicContact CG2-CB 3.79Å | |||
| 142 | N | 27 | Very low | 25.8 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 39.9 | 109.9 | 130.1 | -60.3 | -45.8 | 0 | 0 | 0 | 116.5 | ||
| 143 | T | 27.8 | Very low | 25.7 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | trans | 77.7 | 109.7 | -175.5 | 81.6 | 0 | 0 | 0 | 0 | 111.3 | K145 | T143-K145 HydrophobicContact CG2-CB 3.98Å; T143-K145 HydrophobicContact CG2-CD 3.52Å; T143-K145 HydrophobicContact CG2-CG 3.79Å | ||
| 144 | T | 25.6 | Very low | 25.6 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | cis | -73.8 | 140 | 22.2 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 145 | K | 26.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | cis | 47.4 | 133.2 | -5.6 | -61.8 | -162.6 | -162.1 | 171.4 | 0 | 119.1 | T143 | T143-K145 HydrophobicContact CG2-CB 3.98Å; T143-K145 HydrophobicContact CG2-CD 3.52Å; T143-K145 HydrophobicContact CG2-CG 3.79Å | ||
| 146 | L | 25.7 | Very low | 25.4 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | trans | 44 | 84.5 | 143.2 | -60.8 | 165.7 | 0 | 0 | 0 | 116 | T148 | L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 WeakPolarHBondContact O-CG2 3.28Å | ||
| 147 | F | 24.4 | Very low | 25.3 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | -84.3 | 90.3 | 120.4 | -99.3 | -99.7 | 0 | 0 | 0 | 105.2 | |||||
| 148 | T | 25.8 | Very low | 25.3 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 48% | 0.479 | 69% | 0.685 | S | S | . | * | 66.9 | 106.7 | 83.6 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | L146 | L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 WeakPolarHBondContact O-CG2 3.28Å | |||
| 149 | N | 24.5 | Very low | 25.2 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 68% | 0.679 | S | S | * | * | 53.6 | 75.2 | 75.5 | -69.4 | 0.7 | 0 | 0 | 0 | 112.6 | |||||
| 150 | N | 24.1 | Very low | 25 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | -143.1 | 136.1 | 147.8 | -87.2 | -30.5 | 0 | 0 | 0 | 105.6 | ||||
| 151 | Q | 24 | Very low | 24.9 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -165.8 | 117.3 | -13.8 | -139.6 | 175.6 | -8.3 | 0 | 0 | 104.4 | ||
| 152 | L | 24 | Very low | 24.8 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | 164.8 | 123.2 | 100.2 | -85.4 | 158.7 | 0 | 0 | 0 | 104.4 | |||||
| 153 | H | 23.3 | Very low | 24.8 | Very low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | 90.1 | 145.2 | 76.6 | -173.1 | 69.9 | 0 | 0 | 0 | 112.5 | |||||
| 154 | L | 26 | Very low | 24.7 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | 71.6 | 128.9 | -165.2 | -61.1 | 142.3 | 0 | 0 | 0 | 115.3 | ||||
| 155 | E | 22.1 | Very low | 24.8 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | cis | 166 | 161 | -29.6 | -106.5 | 179.7 | 168 | 0 | 0 | 106.4 | ||||
| 156 | H | 24.9 | Very low | 24.8 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 65% | 0.648 | 69% | 0.692 | S | S | * | * | trans | 67.2 | 123.6 | 154.4 | -86.5 | -127.2 | 0 | 0 | 0 | 120.5 | ||||
| 157 | Q | 23.3 | Very low | 24.8 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | trans | 69.7 | 135.7 | 138.9 | -62.7 | 170.9 | -68 | 0 | 0 | 117.9 | ||||
| 158 | M | 24 | Very low | 24.7 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | cis | -142.5 | 150.2 | -8.2 | -98.3 | 153.2 | 74.8 | 0 | 0 | 106 | ||||
| 159 | A | 23.6 | Very low | 24.7 | Very low | 69 Ų | 69 | 128 Ų | 128 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | 60 | 136 | 63.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 160 | E | 23.5 | Very low | 24.7 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | trans | 57.9 | 158.6 | -176.7 | -68.7 | 87.5 | -112.8 | 0 | 0 | 114 | ||||
| 161 | E | 25.6 | Very low | 24.7 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | cis | -167.5 | 166.5 | -7.3 | -106 | 163.7 | -174.6 | 0 | 0 | 103.7 | ||||
| 162 | S | 26 | Very low | 24.6 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | cis | -164.7 | 157.7 | -9.8 | 53.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 163 | V | 26.2 | Very low | 24.8 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | 51.5 | 115.1 | 57.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 164 | D | 26 | Very low | 24.8 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | cis | -159.5 | -171.9 | 34.3 | -131.1 | -25.2 | 0 | 0 | 0 | 107.8 | ||||
| 165 | S | 26.5 | Very low | 24.7 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | cis | -149.7 | 170.4 | -6.4 | 46.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 166 | G | 26.7 | Very low | 24.8 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | 70 | 140.2 | 52.3 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 167 | I | 25.6 | Very low | 24.9 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | cis | -158.6 | 127.5 | 28.7 | -93.1 | 150.3 | 0 | 0 | 0 | 106.1 | ||||
| 168 | S | 24 | Very low | 25 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | 68 | 124.8 | 77.6 | -52.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 169 | S | 25.4 | Very low | 25.1 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | 177.1 | 107.3 | 142.9 | 27.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 170 | E | 23.4 | Very low | 25.2 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | 76.8 | 126.4 | 70 | -72.8 | -174.6 | 159.9 | 0 | 0 | 114.6 | |||||
| 171 | L | 23.8 | Very low | 25.4 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | -175.6 | 135.6 | 108.3 | -92.7 | 162 | 0 | 0 | 0 | 112.2 | |||||
| 172 | Y | 23.2 | Very low | 25.5 | Very low | 209 Ų | 209 | 129.1 Ų | 129.1 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | trans | -97.1 | 169.6 | 175.6 | -98.2 | -84 | 0 | 0 | 0 | 110.3 | T174 | Y172-T174 HydrophobicContact CD1-CG2 4.22Š| ||
| 173 | P | 27.2 | Very low | 25.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | -136.8 | 170 | 60.1 | 23 | 3.7 | 0 | 0 | 0 | 114 | |||||
| 174 | T | 23.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | 63.8 | 146.1 | 48.6 | 80.7 | 0 | 0 | 0 | 0 | 114.3 | Y172 | Y172-T174 HydrophobicContact CD1-CG2 4.22Š| ||
| 175 | K | 24.7 | Very low | 25.8 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | cis | -167 | 156 | 16.9 | -151.3 | -175.4 | -176.8 | -173.7 | 0 | 111.9 | ||||
| 176 | S | 24.8 | Very low | 25.9 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 46.3 | 175.5 | 145.8 | 52.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 177 | D | 25 | Very low | 25.9 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | cis | -171.2 | 154.2 | -48.8 | -92.9 | -57.5 | 0 | 0 | 0 | 108.7 | ||||
| 178 | Q | 26.3 | Very low | 25.8 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | 174.3 | 148.6 | 164 | -104.2 | 175 | 37.9 | 0 | 0 | 111.2 | ||||
| 179 | T | 26.2 | Very low | 26 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | cis | -160.5 | 171.8 | -22.1 | 5.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 180 | S | 24.8 | Very low | 26.2 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -106.1 | 164.2 | -171.7 | 54.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 181 | S | 29.1 | Very low | 26.3 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 163.5 | 159.5 | 158.6 | 39.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 182 | N | 27.9 | Very low | 26.6 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | -163.2 | 171.8 | -23.9 | -86.6 | -21.8 | 0 | 0 | 0 | 105.5 | ||||
| 183 | L | 29.1 | Very low | 26.9 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -122.4 | 177 | 8.2 | -85 | 90.4 | 0 | 0 | 0 | 109.2 | ||||
| 184 | N | 24.7 | Very low | 26.9 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | 59.8 | 132 | 52.6 | -51 | -29.8 | 0 | 0 | 0 | 114.4 | |||||
| 185 | I | 30 | Very low | 27.1 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | -165.7 | 141.6 | 68.5 | -98.3 | 175.8 | 0 | 0 | 0 | 112.6 | |||||
| 186 | E | 28 | Very low | 27.4 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | trans | 58.2 | 158.2 | 153.4 | -71.6 | -173.7 | 131.5 | 0 | 0 | 122.3 | ||||
| 187 | L | 26.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 61% | 0.613 | 76% | 0.758 | S | S | * | * | cis | -153.6 | 124 | -8.8 | -107.4 | 159.3 | 0 | 0 | 0 | 105.3 | ||||
| 188 | Q | 24.5 | Very low | 27.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | 55.4 | 106.7 | 73.2 | -140.9 | -165.5 | 62.1 | 0 | 0 | 116.9 | |||||
| 189 | K | 28.3 | Very low | 27.4 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 149.4 | 117.3 | 135.8 | -83.3 | 161.8 | -175.3 | 171.6 | 0 | 114 | ||||
| 190 | L | 29.3 | Very low | 27.4 | Very low | 177 Ų | 177 | 141 Ų | 141 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | 177.1 | 101.5 | 129.9 | -99.6 | 166.4 | 0 | 0 | 0 | 110.1 | |||||
| 191 | E | 25.8 | Very low | 27.4 | Very low | 201 Ų | 201 | 142 Ų | 142 | 94% | 0.939 | 74% | 0.741 | S | S | * | * | trans | -90.1 | 156.4 | 167.2 | -61.5 | 174.1 | 104.2 | 0 | 0 | 110.1 | ||||
| 192 | G | 28.7 | Very low | 27.1 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | -174.1 | 81.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 193 | N | 29.5 | Very low | 26.9 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 43.5 | 113.4 | 161.6 | -70.2 | -37.6 | 0 | 0 | 0 | 119 | ||||
| 194 | K | 28.4 | Very low | 26.9 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | 71.5 | 151.7 | 69.5 | -71.2 | -177.1 | -171.6 | 169.8 | 0 | 114.6 | |||||
| 195 | N | 28.2 | Very low | 26.9 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | 82.2 | 140.5 | 165.5 | -58.2 | -25.2 | 0 | 0 | 0 | 115.6 | ||||
| 196 | I | 29.2 | Very low | 26.6 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | cis | -153.8 | 143.7 | -1.6 | -127.1 | 165.5 | 0 | 0 | 0 | 112.6 | ||||
| 197 | R | 27.6 | Very low | 26.4 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | 51.5 | 124.4 | 157.3 | -64.7 | 161.3 | -169.2 | 146.7 | 2.5 | 118.5 | ||||
| 198 | N | 24.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | 76.7 | 148.7 | 53.9 | -66.5 | -2.4 | 0 | 0 | 0 | 114.3 | |||||
| 199 | L | 25.2 | Very low | 26.2 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 76.8 | 149.2 | 168.6 | -59.4 | 149.3 | 0 | 0 | 0 | 114.7 | L201 | L199-L201 HydrophobicContact CD2-CD1 4.21Š| ||
| 200 | A | 26.1 | Very low | 26.1 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | cis | -142.4 | 136.7 | -1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 201 | L | 24.9 | Very low | 25.8 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | 68 | 108 | 98.9 | -56.1 | 177.7 | 0 | 0 | 0 | 113.7 | L199 | L199-L201 HydrophobicContact CD2-CD1 4.21Š| |||
| 202 | L | 22.4 | Very low | 25.8 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | 65.6 | 114.9 | 97.4 | -64.1 | -177.5 | 0 | 0 | 0 | 111.7 | |||||
| 203 | Q | 24.4 | Very low | 25.5 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | 123.9 | -179.6 | 75.7 | -107.6 | -176.6 | -10.9 | 0 | 0 | 108.6 | |||||
| 204 | P | 27.6 | Very low | 25.3 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | -133.3 | -148.3 | -26.8 | 32.1 | -9.2 | 0 | 0 | 0 | 110.4 | ||||
| 205 | V | 24.8 | Very low | 25.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | trans | 64 | 106.9 | 142 | 157.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 206 | D | 23.3 | Very low | 25.1 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | 82.6 | 133.2 | 65.8 | -72.1 | -46.5 | 0 | 0 | 0 | 114.5 | |||||
| 207 | N | 24.1 | Very low | 24.9 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 68.8 | 159.7 | 158.8 | -60.9 | -46.1 | 0 | 0 | 0 | 120 | ||||
| 208 | F | 25 | Very low | 24.7 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | 63.5 | 121.6 | 177.3 | -57.5 | -84.2 | 0 | 0 | 0 | 115.1 | ||||
| 209 | I | 22.6 | Very low | 24.8 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | 70.6 | 127.5 | 54.8 | -59.9 | 169.4 | 0 | 0 | 0 | 111.8 | |||||
| 210 | H | 25.7 | Very low | 24.9 | Very low | 178 Ų | 178 | 137.1 Ų | 137.1 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 73.2 | 117.8 | 174.1 | -79.1 | -61.6 | 0 | 0 | 0 | 119.6 | ||||
| 211 | N | 23.1 | Very low | 24.7 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -36.7 | 144.5 | 139.9 | -95.4 | -17.4 | 0 | 0 | 0 | 111.6 | ||||
| 212 | P | 27.2 | Very low | 24.8 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | -147.9 | -178.4 | 79.8 | 40.5 | -23 | 0 | 0 | 0 | 116.6 | |||||
| 213 | C | 22.6 | Very low | 25.1 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 70% | 0.696 | 73% | 0.729 | S | S | * | * | trans | -81.7 | -178 | -178.8 | -49.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 214 | H | 25.2 | Very low | 25.3 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | 93.9 | 118.4 | 148.9 | -76.5 | -64.8 | 0 | 0 | 0 | 121.8 | ||||
| 215 | N | 24.6 | Very low | 25.4 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 59% | 0.588 | 73% | 0.731 | S | S | * | * | 99.1 | 146.1 | 119 | -79.2 | 7.3 | 0 | 0 | 0 | 122.9 | |||||
| 216 | H | 27.6 | Very low | 25.5 | Very low | 165 Ų | 165 | 138 Ų | 138 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 72.4 | 148 | 152.7 | -61 | -30.4 | 0 | 0 | 0 | 117.9 | ||||
| 217 | S | 25 | Very low | 25.7 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | cis | -171.7 | 136 | -13 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 218 | Y | 23.3 | Very low | 25.8 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | 57.9 | 160.1 | 134.3 | -88.5 | -94.4 | 0 | 0 | 0 | 125.2 | ||||
| 219 | T | 27.2 | Very low | 25.9 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | 66.5 | 152 | 157.9 | 54.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 220 | E | 25.7 | Very low | 26 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | cis | -161.5 | 134.7 | -22.5 | -110 | -179.1 | 141.4 | 0 | 0 | 107.9 | ||||
| 221 | C | 22.7 | Very low | 26 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 69% | 0.689 | 74% | 0.736 | S | S | * | * | 77.1 | 150.1 | 95.1 | -159.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 222 | T | 27.2 | Very low | 26.1 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | trans | 79.2 | 149.8 | 172.5 | 77.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 223 | K | 28.4 | Very low | 25.9 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | cis | -161.8 | 163.7 | 2.9 | -125.2 | 159.4 | -160.3 | 161.9 | 0 | 113.7 | ||||
| 224 | T | 29.7 | Very low | 26.1 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | trans | 64.4 | 121.3 | 149.6 | 47.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 225 | N | 28 | Very low | 26 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | 73.3 | 143.7 | 124.9 | -62.5 | 1.9 | 0 | 0 | 0 | 120.9 | |||||
| 226 | S | 28.5 | Very low | 26.1 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -169.2 | 167.6 | -5.3 | 43.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 227 | H | 27.5 | Very low | 26 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | trans | 85.7 | 107.1 | 161.9 | -77.4 | -80 | 0 | 0 | 0 | 121.2 | ||||
| 228 | V | 25.9 | Very low | 26.1 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | 59.4 | 129.5 | 134.9 | -175.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 229 | G | 26 | Very low | 26.4 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | cis | 137.2 | 154.2 | 15 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 230 | F | 24.7 | Very low | 26.3 | Very low | 185 Ų | 185 | 142 Ų | 142 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | cis | -160.6 | 143.8 | 15.3 | -144.9 | -120.9 | 0 | 0 | 0 | 107.8 | ||||
| 231 | L | 26.8 | Very low | 26.4 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 57.1 | 117.1 | 169.4 | -51.7 | 174 | 0 | 0 | 0 | 116.9 | ||||
| 232 | Q | 24.2 | Very low | 26.6 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | cis | 72.1 | 123.9 | 29.3 | -155.4 | 174 | 5.7 | 0 | 0 | 115.6 | ||||
| 233 | N | 24 | Very low | 26.6 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 6.5 | 129.3 | 167.7 | -59.8 | -5.6 | 0 | 0 | 0 | 120 | ||||
| 234 | E | 25.4 | Very low | 26.3 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -159.7 | 169.1 | 131 | -94.1 | -113.4 | 80.6 | 0 | 0 | 110.9 | ||||
| 235 | F | 24.9 | Very low | 26.2 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | 66.1 | 83.8 | 166.4 | -57.7 | -59.2 | 0 | 0 | 0 | 121.6 | ||||
| 236 | Y | 24.7 | Very low | 26 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | -39.5 | 151.8 | 125.3 | -94.7 | -103.4 | 0 | 0 | 0 | 113.2 | |||||
| 237 | K | 26 | Very low | 25.8 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 46% | 0.457 | 77% | 0.767 | S | S | . | * | trans | 82.7 | 107.9 | 173.3 | -55.9 | 152 | 145.1 | 166.6 | 0 | 116.9 | N88 | N88-K237 PolarHBondContact ND2-NZ 3.03Å; N88-K237 VanDerWaalsContact ND2-NZ 3.11Å; N88-K237 VanDerWaalsContact OD1-CD 3.28Å; N88-K237 WeakPolarHBondContact OD1-CD 3.34Å; N88-K237 WeakPolarHBondContact OD1-CE 3.21Å; N88-K237 PolarHBondContact OD1-NZ 2.94Å; N88-K237 VanDerWaalsContact OD1-NZ 3.16Å | ||
| 238 | N | 27.3 | Very low | 25.7 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | -175.6 | 126.8 | 95.6 | -93.4 | -39.3 | 0 | 0 | 0 | 110.9 | |||||
| 239 | P | 29.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 74% | 0.74 | 73% | 0.734 | S | S | * | * | trans | -87.7 | 114.6 | 164.6 | 32.4 | -28 | 0 | 0 | 0 | 110.1 | ||||
| 240 | N | 25.2 | Very low | 25.9 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | 168.7 | 170.1 | 156.7 | -91 | -29.1 | 0 | 0 | 0 | 110.5 | ||||
| 241 | L | 27.8 | Very low | 25.9 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | trans | 79.8 | 71.7 | 169 | -62 | 158.8 | 0 | 0 | 0 | 117.1 | ||||
| 242 | D | 27.1 | Very low | 25.9 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | -20.9 | 137.6 | 131.9 | 173.5 | 23 | 0 | 0 | 0 | 115 | D244 | D242-D244 PolarHBondContact OD1-N 3.47Š| ||
| 243 | Y | 26.9 | Very low | 25.9 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | trans | -155.2 | 56 | 175.8 | -122.4 | -75.8 | 0 | 0 | 0 | 114.4 | R245 | Y243-R245 HydrophobicContact CD1-CB 4.08Å; Y243-R245 HydrophobicContact CE1-CB 4.29Å; Y243-R245 PolarHBondContact O-N 3.14Å | ||
| 244 | D | 22.1 | Very low | 26 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | trans | -70.1 | 53.2 | 171.1 | -163.2 | 12.9 | 0 | 0 | 0 | 112.8 | D242 | D242-D244 PolarHBondContact OD1-N 3.47Š| ||
| 245 | R | 27.3 | Very low | 25.9 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 78% | 0.777 | 72% | 0.719 | S | S | * | * | trans | -160.3 | 48.7 | -160.2 | -138.7 | 176 | -162.8 | -178 | 6.1 | 117.6 | Y243 | Y243-R245 HydrophobicContact CD1-CB 4.08Å; Y243-R245 HydrophobicContact CE1-CB 4.29Å; Y243-R245 PolarHBondContact O-N 3.14Å | ||
| 246 | F | 24.2 | Very low | 26 | Very low | 189 Ų | 189 | 147 Ų | 147 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -138.4 | 97.2 | 162.8 | -135.9 | -83.3 | 0 | 0 | 0 | 114.3 | ||||
| 247 | L | 25.3 | Very low | 26.1 | Very low | 157 Ų | 157 | 143 Ų | 143 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | trans | -82.1 | 152.2 | -178.1 | -61.2 | 155.7 | 0 | 0 | 0 | 111.6 | ||||
| 248 | H | 25.2 | Very low | 26.1 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 39% | 0.389 | 74% | 0.738 | S | S | . | * | trans | -126 | 174.6 | -163.1 | 31.7 | 93.7 | 0 | 0 | 0 | 114.2 | L303 N304 C305 A306 | H248-L303 PolarHBondContact ND1-O 3.32Å; H248-N304 WeakPolarHBondContact ND1-CA 3.34Å; H248-N304 PolarHBondContact ND1-N 3.49Å; H248-C305 VanDerWaalsContact C-N 3.26Å; H248-C305 CarbonylContact O-C 3.55Å; H248-C305 VanDerWaalsContact O-CA 3.25Å; H248-C305 WeakPolarHBondContact O-CA 3.35Å; H248-C305 WeakPolarHBondContact O-CB 3.38Å; H248-C305 PolarHBondContact O-N 3.5Å; H248-A306 PolarHBondContact O-N 2.87Å | ||
| 249 | S | 26.6 | Very low | 26.4 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 52% | 0.517 | 73% | 0.731 | S | S | . | * | trans | -150.9 | 123.5 | -157.2 | -62.4 | 0 | 0 | 0 | 0 | 118.1 | N304 | S249-N304 VanDerWaalsContact C-CB 3.49Å; S249-N304 PolarHBondContact N-OD1 3.42Å; S249-N304 PolarHBondContact O-ND2 3.13Å; S249-N304 PolarHBondContact O-OD1 2.9Å | ||
| 250 | A | 28.7 | Very low | 26.3 | Very low | 60 Ų | 60 | 146.6 Ų | 146.6 | 50% | 0.496 | 74% | 0.736 | S | S | . | * | trans | 77.3 | 147.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | N304 C305 | A250-N304 WeakPolarHBondContact O-CB 2.92Å; A250-N304 VanDerWaalsContact O-CG 3.3Å; A250-N304 PolarHBondContact O-ND2 2.83Å; A250-C305 PolarHBondContact N-O 3.5Å | ||
| 251 | D | 25.8 | Very low | 26.6 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | -147 | 157.6 | -174.7 | 170.2 | 36.9 | 0 | 0 | 0 | 109.1 | ||||
| 252 | Q | 26.4 | Very low | 26.8 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | 161.1 | 138.4 | 149.2 | -94.1 | 170 | 32.2 | 0 | 0 | 117.5 | ||||
| 253 | S | 24.2 | Very low | 27 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | trans | 67.6 | 133.4 | 143.4 | 74.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 254 | Y | 25.6 | Very low | 27.4 | Very low | 214 Ų | 214 | 137.7 Ų | 137.7 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | cis | -157.8 | 171.3 | 49.9 | -109.8 | -86.2 | 0 | 0 | 0 | 112.7 | ||||
| 255 | T | 22.8 | Very low | 28 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | -135.6 | 146.7 | -174.2 | 50.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 256 | F | 26.8 | Very low | 28.4 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 90% | 0.904 | 67% | 0.674 | S | S | * | * | trans | -161.1 | 162.6 | 163.3 | -106 | -82.4 | 0 | 0 | 0 | 111.4 | ||||
| 257 | N | 27.5 | Very low | 28.7 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 66% | 0.663 | 66% | 0.661 | S | S | * | * | -158.9 | 151.9 | -77.5 | -129.8 | -27.4 | 0 | 0 | 0 | 110.7 | |||||
| 258 | N | 26.9 | Very low | 29.1 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | trans | 69.1 | 158.3 | 163.5 | -81.8 | -34.6 | 0 | 0 | 0 | 121.5 | ||||
| 259 | P | 33 | Very low | 29.4 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 69% | 0.688 | 66% | 0.662 | S | S | * | * | trans | -137.4 | -149.1 | -151 | 42.4 | -20.4 | 0 | 0 | 0 | 113.9 | ||||
| 260 | K | 27.8 | Very low | 29.7 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | 98.4 | 87.6 | 174 | -57.4 | 172.4 | -178.5 | 175.5 | 0 | 115.8 | ||||
| 261 | L | 31.4 | Very low | 29.7 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 68% | 0.676 | S | S | * | * | trans | -155.1 | 151.8 | 142.5 | -108.9 | 158.9 | 0 | 0 | 0 | 109.6 | K263 | L261-K263 PolarHBondContact O-N 3.12Š| ||
| 262 | N | 32.3 | Very low | 29.8 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 54% | 0.54 | 68% | 0.683 | S | S | . | * | trans | -89.5 | 110.3 | -148.3 | -130 | -26.2 | 0 | 0 | 0 | 113.8 | K264 | N262-K264 PolarHBondContact O-N 3.14Š| ||
| 263 | K | 30.7 | Very low | 30 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 46% | 0.457 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | 11.7 | 179.4 | -90.4 | -179.2 | 167 | -174.9 | 0 | 115.8 | L261 Q1478 V1479 | L261-K263 PolarHBondContact O-N 3.12Å; K263-Q1478 PolarHBondContact NZ-O 2.91Å; K263-V1479 HydrophobicContact CD-CG1 4.32Å; K263-V1479 HydrophobicContact CD-CG2 4.08Å |
| 264 | K | 34.5 | Very low | 30 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 30% | 0.3 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.6 | -31 | -170 | -50.1 | -172.7 | 179.7 | -164.2 | 0 | 113.4 | N262 L536 E537 | N262-K264 PolarHBondContact O-N 3.14Å; K264-L536 HydrophobicContact CB-CB 4.44Å; K264-L536 HydrophobicContact CB-CD1 4.33Å; K264-L536 HydrophobicContact CD-CB 3.85Å; K264-L536 HydrophobicContact CD-CD1 3.5Å; K264-L536 VanDerWaalsContact CD-CD1 3.5Å; K264-L536 HydrophobicContact CD-CG 4.19Å; K264-L536 HydrophobicContact CG-CB 4.38Å; K264-L536 HydrophobicContact CG-CD1 3.64Å; K264-E537 IonicContact NZ-OE1 3.66Å; K264-E537 PolarHBondContact NZ-OE1 3.07Å; K264-E537 IonicContact NZ-OE2 3.75Å; K264-E537 PolarHBondContact NZ-OE2 2.95Å |
| 265 | Q | 34.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -21.8 | 178.1 | -72 | 175.4 | -21.8 | 0 | 0 | 113.5 | S268 | Q265-S268 PolarHBondContact O-OG 3.05Å; Q265-S268 VanDerWaalsContact O-OG 3.13Å |
| 266 | I | 35.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 56% | 0.559 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -72.7 | -38.7 | 173.1 | -60.8 | 174.8 | 0 | 0 | 0 | 110.1 | S268 K269 F270 | I266-S268 PolarHBondContact O-N 3.47Å; I266-K269 PolarHBondContact O-N 3.17Å; I266-F270 HydrophobicContact CG2-CD2 4.46Å |
| 267 | L | 32 | Very low | 30.2 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 56% | 0.555 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.3 | -9 | 179.6 | -117.1 | 74.5 | 0 | 0 | 0 | 114.9 | ||
| 268 | S | 32.3 | Very low | 30.1 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -102.1 | -16.3 | 177.9 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | Q265 I266 | Q265-S268 PolarHBondContact O-OG 3.05Å; Q265-S268 VanDerWaalsContact O-OG 3.13Å; I266-S268 PolarHBondContact O-N 3.47Å |
| 269 | K | 33.2 | Very low | 30 | Very low | 180 Ų | 180 | 133.4 Ų | 133.4 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -91.3 | -26.4 | 173.5 | -78.2 | -169 | 172.1 | -174.8 | 0 | 114.2 | I266 K271 | I266-K269 PolarHBondContact O-N 3.17Å; K269-K271 PolarHBondContact O-N 3.2Å; K269-K271 VanDerWaalsContact O-N 3.15Å |
| 270 | F | 31 | Very low | 29.6 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -77.6 | 10.1 | -177.4 | -105.2 | -78.7 | 0 | 0 | 0 | 116 | I266 | I266-F270 HydrophobicContact CG2-CD2 4.46Š|
| 271 | K | 29.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 50% | 0.496 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -120.6 | 29.7 | -167.7 | -134.6 | 174.2 | -174.7 | -75 | 0 | 115.9 | K269 S532 K533 | K269-K271 PolarHBondContact O-N 3.2Å; K269-K271 VanDerWaalsContact O-N 3.15Å; K271-S532 VanDerWaalsContact CE-O 3.32Å; K271-S532 WeakPolarHBondContact CE-O 3.3Å; K271-S532 PolarHBondContact NZ-O 3.13Å; K271-K533 HydrophobicContact CD-CB 4.18Å; K271-K533 WeakPolarHBondContact CD-O 3.39Å |
| 272 | K | 29.1 | Very low | 29.2 | Very low | 204 Ų | 204 | 129.5 Ų | 129.5 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -148.5 | 26.6 | -179.6 | -121.7 | -179.4 | -176.8 | -174.3 | 0 | 115.7 | ||
| 273 | I | 29.1 | Very low | 28.9 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | -126.4 | 132.8 | 176.1 | -60.7 | -179.2 | 0 | 0 | 0 | 109.6 | ||||
| 274 | N | 24.6 | Very low | 28.7 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | -90.4 | 109.2 | 173.3 | -82 | -16.1 | 0 | 0 | 0 | 110.4 | ||||
| 275 | T | 28.3 | Very low | 28.5 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | trans | -158 | 128.2 | 163.4 | 41.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 276 | S | 24.3 | Very low | 28.4 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | cis | 58.9 | 112 | 23.8 | 87 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 277 | S | 26 | Very low | 27.9 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | trans | 88.1 | 136.6 | -162.5 | -160.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 278 | F | 25.5 | Very low | 27.7 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 59.3 | 115.7 | -161.5 | -54.3 | -87.8 | 0 | 0 | 0 | 113.3 | ||
| 279 | D | 24.9 | Very low | 27.6 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -101.9 | 118.8 | 1.7 | -68.9 | -51.3 | 0 | 0 | 0 | 112.7 | ||
| 280 | S | 25.4 | Very low | 27.2 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | trans | -149.8 | 63 | 169.5 | 62.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 281 | A | 25.3 | Very low | 27 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -148.9 | 40.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 282 | F | 25.3 | Very low | 26.8 | Very low | 220 Ų | 220 | 128.8 Ų | 128.8 | 97% | 0.965 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -142.4 | 108.5 | 146.2 | -121.8 | -74.4 | 0 | 0 | 0 | 111 | ||
| 283 | E | 26.1 | Very low | 26.7 | Very low | 157 Ų | 157 | 124 Ų | 124 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | trans | -96.6 | 166.2 | -158.4 | -87.5 | -178.4 | 142.7 | 0 | 0 | 115.2 | S285 | E283-S285 PolarHBondContact O-N 3.16Å; E283-S285 VanDerWaalsContact O-N 3.12Å | ||
| 284 | T | 27 | Very low | 26.7 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 45% | 0.454 | 70% | 0.697 | S | S | . | * | trans | -21.2 | 93.1 | 152.7 | 39.2 | 0 | 0 | 0 | 0 | 119.2 | K128 | K128-T284 VanDerWaalsContact CB-CB 3.45Å; K128-T284 HydrophobicContact CB-CG2 3.81Å; K128-T284 HydrophobicContact CD-CG2 4.27Å; K128-T284 PolarHBondContact N-O 2.96Å; K128-T284 WeakPolarHBondContact O-CB 2.9Å | ||
| 285 | S | 29.9 | Very low | 26.8 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 46% | 0.462 | 69% | 0.689 | S | S | . | * | trans | -158.7 | 166.9 | 132.3 | 41.8 | 0 | 0 | 0 | 0 | 110.8 | K128 E283 | K128-S285 VanDerWaalsContact CE-N 3.3Å; K128-S285 WeakPolarHBondContact CE-O 3.42Å; E283-S285 PolarHBondContact O-N 3.16Å; E283-S285 VanDerWaalsContact O-N 3.12Å | ||
| 286 | S | 31.9 | Very low | 26.7 | Very low | 39 Ų | 39 | 122.4 Ų | 122.4 | 27% | 0.273 | 70% | 0.695 | S | S | . | * | cis | -179.6 | 147.4 | -49 | 47.9 | 0 | 0 | 0 | 0 | 105 | V127 S288 | V127-S286 PolarHBondContact N-OG 3.2Å; V127-S286 WeakPolarHBondContact O-CB 3.25Å; S286-S288 PolarHBondContact O-N 3.36Å | ||
| 287 | E | 25.5 | Very low | 26.9 | Very low | 206 Ų | 206 | 123.1 Ų | 123.1 | 96% | 0.963 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -58.4 | 104.6 | -172.7 | -70.9 | 178.9 | 110.8 | 0 | 0 | 113 | ||
| 288 | S | 28.2 | Very low | 26.9 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 51% | 0.51 | 70% | 0.704 | S | S | . | * | trans | -165.1 | 139.2 | 173.4 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | S286 | S286-S288 PolarHBondContact O-N 3.36Š| ||
| 289 | T | 28.9 | Very low | 26.9 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | trans | 51.8 | 111.6 | 156.6 | 44 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 290 | L | 26.6 | Very low | 26.9 | Very low | 164 Ų | 164 | 121.1 Ų | 121.1 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | -60.1 | 169.6 | 150.1 | -69.3 | 161.1 | 0 | 0 | 0 | 112.4 | ||||
| 291 | S | 25.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | 78.1 | 135.8 | 173.6 | 76.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 292 | L | 25.1 | Very low | 26.8 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 66.2 | 87.9 | -159.2 | -54.5 | 169.6 | 0 | 0 | 0 | 112.2 | ||
| 293 | V | 28 | Very low | 26.8 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | cis | -125.8 | 103.6 | 37.5 | 176 | 0 | 0 | 0 | 0 | 112.4 | N295 L296 | V293-N295 HydrophobicContact CG1-CB 4.19Å; V293-N295 PolarHBondContact O-N 2.94Å; V293-L296 HydrophobicContact CG1-CB 4.03Å; V293-L296 HydrophobicContact CG1-CD1 4.31Å; V293-L296 HydrophobicContact CG1-CG 3.99Å | ||
| 294 | S | 27.6 | Very low | 26.8 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -85.3 | 15.1 | 163.4 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 295 | N | 27.1 | Very low | 26.6 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -123 | 16.5 | -171.4 | -76.5 | -19.3 | 0 | 0 | 0 | 114.5 | V293 | V293-N295 HydrophobicContact CG1-CB 4.19Å; V293-N295 PolarHBondContact O-N 2.94Å |
| 296 | L | 26.3 | Very low | 26.3 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -116.9 | 4.9 | 163.9 | -76.8 | 175.1 | 0 | 0 | 0 | 113.1 | V293 G298 | V293-L296 HydrophobicContact CG1-CB 4.03Å; V293-L296 HydrophobicContact CG1-CD1 4.31Å; V293-L296 HydrophobicContact CG1-CG 3.99Å; L296-G298 PolarHBondContact O-N 3.28Å |
| 297 | S | 27.8 | Very low | 26 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 116.1 | 143.4 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | ||
| 298 | G | 26 | Very low | 25.9 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.5 | -1.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 119 | L296 | L296-G298 PolarHBondContact O-N 3.28Š|
| 299 | S | 26.2 | Very low | 25.7 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -155.1 | 84.2 | 172.8 | -78.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 300 | Y | 24.5 | Very low | 25.4 | Very low | 213 Ų | 213 | 127.5 Ų | 127.5 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | S | Bend | -139.8 | 79 | 80.6 | -108.2 | -97 | 0 | 0 | 0 | 112.1 | L303 | Y300-L303 HydrophobicContact CD1-CD1 4.35Å; Y300-L303 HydrophobicContact CE1-CD1 3.78Å | |
| 301 | Q | 24 | Very low | 25.3 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -136.6 | 67.9 | 168.2 | -129.9 | -170.4 | 15 | 0 | 0 | 111.4 | ||||
| 302 | K | 24.7 | Very low | 25.1 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | -172.4 | 64.3 | 160 | -106.2 | 159 | -173.9 | 175.7 | 0 | 111.2 | ||||
| 303 | L | 25.1 | Very low | 25 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 56% | 0.555 | 69% | 0.694 | S | S | * | * | trans | -144.2 | 148.1 | 164.3 | -76.1 | -174.8 | 0 | 0 | 0 | 110.3 | H248 Y300 | H248-L303 PolarHBondContact ND1-O 3.32Å; Y300-L303 HydrophobicContact CD1-CD1 4.35Å; Y300-L303 HydrophobicContact CE1-CD1 3.78Å | ||
| 304 | N | 25.9 | Very low | 24.8 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 33% | 0.326 | 70% | 0.697 | S | S | . | * | -159.3 | 155 | -70.4 | -97 | -14.3 | 0 | 0 | 0 | 110.2 | H248 S249 A250 | H248-N304 WeakPolarHBondContact ND1-CA 3.34Å; H248-N304 PolarHBondContact ND1-N 3.49Å; S249-N304 VanDerWaalsContact C-CB 3.49Å; S249-N304 PolarHBondContact N-OD1 3.42Å; S249-N304 PolarHBondContact O-ND2 3.13Å; S249-N304 PolarHBondContact O-OD1 2.9Å; A250-N304 WeakPolarHBondContact O-CB 2.92Å; A250-N304 VanDerWaalsContact O-CG 3.3Å; A250-N304 PolarHBondContact O-ND2 2.83Å | |||
| 305 | C | 22.9 | Very low | 24.7 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 49% | 0.493 | 70% | 0.701 | S | S | . | * | trans | -126.9 | -110.3 | 176.2 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | H248 A250 | H248-C305 VanDerWaalsContact C-N 3.26Å; H248-C305 CarbonylContact O-C 3.55Å; H248-C305 VanDerWaalsContact O-CA 3.25Å; H248-C305 WeakPolarHBondContact O-CA 3.35Å; H248-C305 WeakPolarHBondContact O-CB 3.38Å; H248-C305 PolarHBondContact O-N 3.5Å; A250-C305 PolarHBondContact N-O 3.5Å | ||
| 306 | A | 24 | Very low | 24.5 | Very low | 53 Ų | 53 | 131.2 Ų | 131.2 | 44% | 0.438 | 70% | 0.701 | S | S | . | * | trans | 49.7 | 89 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H248 | H248-A306 PolarHBondContact O-N 2.87Š| ||
| 307 | I | 25.7 | Very low | 24.5 | Very low | 162 Ų | 162 | 131 Ų | 131 | 83% | 0.831 | 70% | 0.701 | S | S | * | * | -158.3 | 114.1 | 103.3 | -91.3 | 148.2 | 0 | 0 | 0 | 106.1 | |||||
| 308 | Q | 23.5 | Very low | 24.4 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | 60.4 | 121.5 | 97.7 | -82.2 | -80.4 | -12 | 0 | 0 | 114.4 | |||||
| 309 | P | 24.4 | Very low | 24.3 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 71% | 0.706 | S | S | * | * | trans | -84.8 | 143.5 | 174.7 | 34.4 | -33.6 | 0 | 0 | 0 | 112.1 | ||||
| 310 | K | 21.8 | Very low | 24.2 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | 174.3 | 168.9 | 148.6 | -96.8 | 149.2 | -170.5 | 172.6 | 0 | 111.2 | ||||
| 311 | Y | 24.5 | Very low | 24.3 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | 64.2 | 95.4 | 177.1 | -52.2 | -72.2 | 0 | 0 | 0 | 113.1 | ||||
| 312 | S | 21.9 | Very low | 24.3 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | cis | 66.7 | 129.7 | 32.9 | -161.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 313 | S | 22.9 | Very low | 24.4 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | 72.8 | 145.5 | 172.3 | 76.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 314 | N | 23.7 | Very low | 24.4 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | trans | 73.2 | 132.8 | 159.3 | -53.3 | -29 | 0 | 0 | 0 | 118.4 | ||||
| 315 | F | 25.2 | Very low | 24.4 | Very low | 167 Ų | 167 | 139 Ų | 139 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | cis | -129.9 | 143.1 | -10.6 | -93.5 | 173.1 | 0 | 0 | 0 | 107.5 | ||||
| 316 | N | 23.5 | Very low | 24.5 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | 53 | 132 | 81.5 | -81.3 | -20.7 | 0 | 0 | 0 | 115.1 | |||||
| 317 | N | 25.7 | Very low | 24.6 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 72 | 128.6 | -171.9 | -44.7 | -33.7 | 0 | 0 | 0 | 113.1 | ||||
| 318 | F | 26.2 | Very low | 24.6 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | cis | -121.4 | 103 | 13.7 | -123.5 | -89.6 | 0 | 0 | 0 | 112.6 | ||||
| 319 | N | 24.3 | Very low | 24.6 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -85.7 | 159.1 | 149.1 | -130 | -46.6 | 0 | 0 | 0 | 107.2 | ||||
| 320 | K | 24.6 | Very low | 24.7 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | trans | 64.2 | 92.4 | 173 | -66.5 | 172.5 | 164.1 | -177.8 | 0 | 117.7 | I322 | K320-I322 HydrophobicContact CB-CD1 3.81Å; K320-I322 HydrophobicContact CB-CG1 3.77Å; K320-I322 HydrophobicContact CD-CD1 4.04Å; K320-I322 HydrophobicContact CD-CG1 4.43Å; K320-I322 HydrophobicContact CG-CD1 3.99Å; K320-I322 HydrophobicContact CG-CG1 3.87Å | ||
| 321 | F | 25.9 | Very low | 25 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | -113.7 | 119 | 92.3 | -97.2 | -97.2 | 0 | 0 | 0 | 105.2 | |||||
| 322 | I | 24.9 | Very low | 25.3 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 55% | 0.554 | 73% | 0.732 | S | S | * | * | 52.1 | 108.6 | 56.3 | -50.1 | 174.3 | 0 | 0 | 0 | 109.1 | K320 | K320-I322 HydrophobicContact CB-CD1 3.81Å; K320-I322 HydrophobicContact CB-CG1 3.77Å; K320-I322 HydrophobicContact CD-CD1 4.04Å; K320-I322 HydrophobicContact CD-CG1 4.43Å; K320-I322 HydrophobicContact CG-CD1 3.99Å; K320-I322 HydrophobicContact CG-CG1 3.87Å | |||
| 323 | G | 25.7 | Very low | 25.9 | Very low | 60 Ų | 60 | 141.8 Ų | 141.8 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | cis | 121.5 | 173.2 | 16.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 324 | Q | 26 | Very low | 26.3 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | 72.1 | 122.3 | -164.6 | -45.4 | -178.6 | 18.6 | 0 | 0 | 110.4 | ||||
| 325 | K | 24.7 | Very low | 26.6 | Very low | 184 Ų | 184 | 147 Ų | 147 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | 73.4 | 134.9 | 55.7 | -75.1 | -169.9 | 172.9 | -177.5 | 0 | 113.2 | |||||
| 326 | N | 25.7 | Very low | 26.7 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 72.4 | 149.7 | 165 | -57.7 | -33.4 | 0 | 0 | 0 | 116.1 | ||||
| 327 | K | 26.1 | Very low | 26.8 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | cis | -171.5 | 143.5 | -27.7 | -115.4 | 177.6 | -174 | -175.9 | 0 | 106.5 | ||||
| 328 | N | 24.6 | Very low | 26.8 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | 61.7 | 140.3 | 155 | -57.5 | 10.7 | 0 | 0 | 0 | 118.9 | ||||
| 329 | M | 24.7 | Very low | 26.7 | Very low | 167 Ų | 167 | 143 Ų | 143 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | trans | 68.5 | 144.8 | 151.5 | -63 | 164.6 | 73.8 | 0 | 0 | 116.8 | ||||
| 330 | T | 27.1 | Very low | 26.7 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | cis | -155.7 | 154.7 | -6.6 | 6.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 331 | E | 27.5 | Very low | 26.6 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 47.5 | 114.4 | 142.4 | -67.7 | 151.4 | -168.4 | 0 | 0 | 121.4 | ||||
| 332 | D | 31.5 | Very low | 26.5 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | 46.2 | 168.4 | 108.9 | -100.3 | -12.1 | 0 | 0 | 0 | 122.2 | |||||
| 333 | P | 33 | Very low | 26.5 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | cis | -131.6 | 165.7 | -29.4 | 34.6 | -19 | 0 | 0 | 0 | 113.3 | ||||
| 334 | N | 30.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | 161.8 | 97.4 | 125.7 | -86.2 | -55.2 | 0 | 0 | 0 | 115.3 | |||||
| 335 | K | 30.1 | Very low | 26.5 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | 13.8 | 127.7 | 137.9 | -59.3 | 166.4 | -178.1 | 169.9 | 0 | 118.9 | ||||
| 336 | S | 27.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | 178.6 | 144.2 | 101.3 | 45.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 337 | I | 26.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 78.1 | 99.3 | 152.2 | -64.9 | 156.9 | 0 | 0 | 0 | 120.2 | ||||
| 338 | I | 25.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 142 Ų | 142 | 70% | 0.703 | 73% | 0.732 | S | S | * | * | trans | 64 | 95.3 | 133.7 | -54.2 | 178.7 | 0 | 0 | 0 | 119.6 | ||||
| 339 | Q | 23.9 | Very low | 26.8 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | 42.2 | 146.1 | 108.3 | -60.2 | -177.4 | -95.1 | 0 | 0 | 120.9 | |||||
| 340 | D | 25 | Very low | 26.7 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -164.4 | 149 | -10.2 | -92.8 | -23.6 | 0 | 0 | 0 | 106.2 | ||||
| 341 | F | 22.5 | Very low | 26.5 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 74% | 0.737 | 74% | 0.736 | S | S | * | * | cis | 80 | 125 | 13.8 | -63.3 | -90.6 | 0 | 0 | 0 | 117.5 | ||||
| 342 | Y | 24.4 | Very low | 26.4 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | cis | -165.4 | -164.7 | -17.2 | -141.4 | -128.7 | 0 | 0 | 0 | 109.6 | ||||
| 343 | T | 24.1 | Very low | 26 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | -33 | 153.4 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 344 | C | 23.8 | Very low | 25.7 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -40.3 | 144.4 | 161 | -171.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 345 | D | 29 | Very low | 25.3 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | -164.3 | 177.7 | 117.3 | -149.9 | -9.1 | 0 | 0 | 0 | 112.7 | |||||
| 346 | K | 28.8 | Very low | 25 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -117.4 | 153.3 | 179.3 | -60.3 | 168.9 | -178.1 | 167.2 | 0 | 111.5 | ||||
| 347 | Q | 26.5 | Very low | 24.9 | Very low | 166 Ų | 166 | 152 Ų | 152 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | 164.8 | 124.9 | 109.8 | -88.1 | -161.9 | 27.5 | 0 | 0 | 115.9 | |||||
| 348 | T | 26 | Very low | 24.9 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | trans | 65.7 | 138.7 | 135.6 | 67.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 349 | N | 25.5 | Very low | 25 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | 70.2 | 145.6 | 142.3 | -64.9 | -26.6 | 0 | 0 | 0 | 119.1 | ||||
| 350 | R | 22.3 | Very low | 25.4 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | cis | -161.3 | 162.1 | -6.2 | -114.8 | 172 | -168.1 | 179 | 0.6 | 111.1 | ||||
| 351 | Y | 21.7 | Very low | 25.7 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | 8.8 | 123.5 | 162.6 | -60 | -77.7 | 0 | 0 | 0 | 121.5 | ||||
| 352 | N | 25.9 | Very low | 25.7 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | -167.8 | 127.5 | 107.9 | -87.9 | -22.7 | 0 | 0 | 0 | 107.4 | |||||
| 353 | M | 23.7 | Very low | 25.8 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | 54.1 | 86.7 | 60.2 | -69.6 | -62.2 | -167 | 0 | 0 | 113.6 | |||||
| 354 | N | 25.9 | Very low | 25.7 | Very low | 166 Ų | 166 | 149.6 Ų | 149.6 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | -165.6 | 151 | 124.5 | -97.7 | -23.4 | 0 | 0 | 0 | 112.9 | |||||
| 355 | E | 23 | Very low | 25.6 | Very low | 200 Ų | 200 | 153 Ų | 153 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -74 | 154.9 | 178.1 | -49.8 | 169.6 | 136 | 0 | 0 | 111.4 | ||||
| 356 | G | 24 | Very low | 25.8 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -159.4 | 19.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 357 | K | 25.5 | Very low | 25.8 | Very low | 189 Ų | 189 | 149 Ų | 149 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 49.6 | 115.4 | 156.5 | -63.9 | 174.6 | 179.7 | 171.6 | 0 | 120.4 | ||||
| 358 | T | 25.4 | Very low | 25.7 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 64 | 137.4 | 132.9 | 64.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 359 | L | 28.9 | Very low | 25.5 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | cis | -142.5 | 115.5 | 49.5 | -89.3 | 161.1 | 0 | 0 | 0 | 115.1 | ||||
| 360 | N | 31 | Very low | 25.5 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -50 | 166.4 | 139 | -136.9 | 5.6 | 0 | 0 | 0 | 109.8 | ||||
| 361 | P | 32.3 | Very low | 25.7 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | cis | -151.2 | -162.3 | 41.1 | 44.9 | -20.9 | 0 | 0 | 0 | 114 | ||||
| 362 | R | 22.5 | Very low | 25.9 | Very low | 197 Ų | 197 | 145 Ų | 145 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | cis | -157.9 | 148.2 | 8 | -148.2 | 156.1 | -178.2 | 137.3 | 0.2 | 112 | H364 | R362-H364 PolarHBondContact NE-CD2 2.87Å; R362-H364 PolarHBondContact NE-NE2 3.5Å; R362-H364 VanDerWaalsContact NE-NE2 3.18Å | ||
| 363 | V | 25.5 | Very low | 25.9 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | -83.7 | 131.5 | 157.4 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 364 | H | 22.6 | Very low | 26 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 63% | 0.625 | 77% | 0.77 | S | S | * | * | trans | -157.7 | 114.4 | 154.2 | -88.6 | -71 | 0 | 0 | 0 | 113.5 | R362 | R362-H364 PolarHBondContact NE-CD2 2.87Å; R362-H364 PolarHBondContact NE-NE2 3.5Å; R362-H364 VanDerWaalsContact NE-NE2 3.18Å | ||
| 365 | F | 21.4 | Very low | 26.1 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | 48.5 | 142.4 | 135.7 | -71.6 | -95.1 | 0 | 0 | 0 | 125 | ||||
| 366 | V | 32.8 | Very low | 26.2 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -68.5 | 147.7 | 166.2 | 169.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 367 | P | 28.5 | Very low | 26.4 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | -150.7 | 159.2 | 64.6 | 41.6 | -20.6 | 0 | 0 | 0 | 121.2 | |||||
| 368 | E | 24.7 | Very low | 26.6 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 29.3 | 158.9 | 131.5 | -131.1 | 163.3 | -141.8 | 0 | 0 | 125.3 | ||||
| 369 | E | 22.3 | Very low | 26.9 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | trans | 67.1 | 99.7 | 164.2 | -60.5 | -147.4 | 132.5 | 0 | 0 | 121.9 | ||||
| 370 | G | 25.3 | Very low | 26.7 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 93 | 162.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 371 | V | 26.2 | Very low | 27 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | cis | -158.1 | 141.7 | -11.4 | 107.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 372 | N | 25.9 | Very low | 26.8 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 63.9 | 156.2 | 167.8 | -66.2 | -13.3 | 0 | 0 | 0 | 117.9 | ||||
| 373 | T | 27 | Very low | 27.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | cis | -148.6 | 145.3 | 10.7 | -22.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 374 | S | 26.3 | Very low | 27.2 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 58.6 | 139.3 | 147.1 | 59.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 375 | N | 26.3 | Very low | 27.4 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | cis | -162.6 | 156.8 | 0.7 | -116.8 | -6.8 | 0 | 0 | 0 | 113.8 | ||||
| 376 | L | 26.5 | Very low | 27.5 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | 81.1 | 150.3 | 157.3 | -65.9 | 162.1 | 0 | 0 | 0 | 118.6 | ||||
| 377 | P | 27.8 | Very low | 27.1 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -130.9 | 177.4 | -130.6 | 42.7 | -27.8 | 0 | 0 | 0 | 117 | ||||
| 378 | G | 30.1 | Very low | 27.1 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -82.8 | -147 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 379 | P | 31 | Very low | 27.2 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | cis | -146.8 | 171.3 | 34 | 43 | -23.5 | 0 | 0 | 0 | 119 | ||||
| 380 | S | 25.3 | Very low | 27.4 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 55.6 | 138.2 | 141.2 | 63 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 381 | R | 35.8 | Very low | 27.5 | Very low | 218 Ų | 218 | 136 Ų | 136 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | -114.9 | 158.1 | 172.6 | 176.9 | -165.1 | -170.3 | -168.9 | 7.3 | 109.3 | ||||
| 382 | P | 29.2 | Very low | 27.6 | Very low | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | -117.5 | 162.5 | 156.6 | 37.2 | -28.4 | 0 | 0 | 0 | 113.6 | ||||
| 383 | T | 29.5 | Very low | 27.8 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | -147.8 | 140.9 | 178.9 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 384 | S | 26.8 | Very low | 27.9 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -160.5 | 139.5 | 163.7 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 385 | E | 26.4 | Very low | 28 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -76 | 171 | 162.7 | -60.3 | 162.7 | 112.2 | 0 | 0 | 110.2 | ||||
| 386 | Y | 23.9 | Very low | 28.4 | Very low | 230 Ų | 230 | 137.5 Ų | 137.5 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | -169.4 | 173.3 | 127.6 | -101.2 | -59.6 | 0 | 0 | 0 | 112.7 | |||||
| 387 | T | 24.7 | Very low | 28.5 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -83.9 | 161.4 | -165.7 | 44.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 388 | L | 27.3 | Very low | 28.4 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -46.7 | 139.3 | 170.9 | -74.3 | 158.7 | 0 | 0 | 0 | 114.8 | ||||
| 389 | D | 27.1 | Very low | 28.3 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -121.6 | 164.5 | 156.6 | 62.7 | -12.9 | 0 | 0 | 0 | 111.4 | ||||
| 390 | S | 26.9 | Very low | 28 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -106.6 | 25.5 | -145.4 | 53.9 | 0 | 0 | 0 | 0 | 116.8 | ||
| 391 | T | 28.5 | Very low | 28 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -134.4 | -18.3 | -170.2 | 50.9 | 0 | 0 | 0 | 0 | 117.3 | ||
| 392 | G | 28 | Very low | 27.5 | Very low | 63 Ų | 63 | 145.8 Ų | 145.8 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | trans | 52.8 | 87.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 393 | N | 30.3 | Very low | 27.4 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -160.9 | 168 | 151.7 | -112.5 | -41.5 | 0 | 0 | 0 | 112.7 | ||||
| 394 | I | 28.4 | Very low | 27.1 | Very low | 169 Ų | 169 | 150.7 Ų | 150.7 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -128 | 133.6 | -162.5 | -60.8 | 169.7 | 0 | 0 | 0 | 113.4 | ||||
| 395 | S | 28.3 | Very low | 27 | Very low | 96 Ų | 96 | 153.4 Ų | 153.4 | 67% | 0.671 | 82% | 0.817 | S | S | * | * | trans | -151.8 | 157.4 | 145.8 | 81.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 396 | D | 35.5 | Very low | 26.9 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | cis | -134.6 | 166.9 | 13.5 | -91.5 | -70.2 | 0 | 0 | 0 | 113.3 | ||||
| 397 | Q | 26.9 | Very low | 26.9 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -93.8 | 177.2 | -178.3 | -66.3 | 179.8 | -28.5 | 0 | 0 | 113.6 | ||||
| 398 | N | 27.3 | Very low | 26.9 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | trans | 77.5 | 55 | 160.3 | -54.4 | -40 | 0 | 0 | 0 | 118.8 | ||||
| 399 | K | 27.8 | Very low | 26.7 | Very low | 211 Ų | 211 | 147 Ų | 147 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -145.8 | 22.1 | 157.9 | -127 | 170.3 | -171.3 | 174 | 0 | 117.4 | ||||
| 400 | M | 24.9 | Very low | 26.5 | Very low | 161 Ų | 161 | 151.1 Ų | 151.1 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -118.6 | 89.6 | 177.8 | -78.9 | 176.9 | 58.5 | 0 | 0 | 112.6 | L404 | M400-L404 HydrophobicContact CE-CD1 3.8Š| ||
| 401 | L | 24.6 | Very low | 26.3 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -144.3 | 73.2 | 169.8 | -101.7 | 176.1 | 0 | 0 | 0 | 111.7 | ||||
| 402 | S | 25.5 | Very low | 26 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -175.1 | 149.8 | 152.4 | 29.3 | 0 | 0 | 0 | 0 | 111.5 | L404 | S402-L404 PolarHBondContact O-N 2.99Š|
| 403 | H | 26.6 | Very low | 25.8 | Very low | 197 Ų | 197 | 157.9 Ų | 157.9 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | 62.7 | 20.3 | 170.2 | -67.2 | -71.7 | 0 | 0 | 0 | 120.6 | L405 | H403-L405 PolarHBondContact O-N 3.2Å; H403-L405 VanDerWaalsContact O-N 3.14Å | ||
| 404 | L | 24 | Very low | 25.7 | Very low | 140 Ų | 140 | 154.5 Ų | 154.5 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -80.7 | 78.4 | 163.6 | -85.5 | 172.3 | 0 | 0 | 0 | 112.6 | M400 S402 | M400-L404 HydrophobicContact CE-CD1 3.8Å; S402-L404 PolarHBondContact O-N 2.99Å | ||
| 405 | L | 24.3 | Very low | 25.5 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -148.5 | 76.5 | 169.3 | -78.2 | -177.2 | 0 | 0 | 0 | 113.3 | H403 | H403-L405 PolarHBondContact O-N 3.2Å; H403-L405 VanDerWaalsContact O-N 3.14Å | ||
| 406 | S | 24.4 | Very low | 25.2 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 178.4 | 138.4 | 147.2 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 407 | S | 24.2 | Very low | 24.6 | Very low | 106 Ų | 106 | 158.5 Ų | 158.5 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 74.4 | 144.3 | 163.3 | -52.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 408 | R | 24.8 | Very low | 24.5 | Very low | 225 Ų | 225 | 158.8 Ų | 158.8 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | 77.4 | 99.6 | 161.8 | -65.9 | -179.7 | 177.1 | 169.1 | -0.7 | 121.4 | ||||
| 409 | D | 22.4 | Very low | 24.3 | Very low | 134 Ų | 134 | 155 Ų | 155 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | 56 | 131.9 | 102 | -51.9 | -37.3 | 0 | 0 | 0 | 124.1 | |||||
| 410 | Y | 23.6 | Very low | 24.1 | Very low | 223 Ų | 223 | 147.9 Ų | 147.9 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | 86.1 | 139 | 139.6 | -82 | -53.5 | 0 | 0 | 0 | 125.2 | ||||
| 411 | V | 21.7 | Very low | 24 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 81.7 | 99.4 | 150.2 | 174.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 412 | Y | 22.7 | Very low | 24 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | 49.8 | 156.5 | 117.9 | -127.9 | -141.9 | 0 | 0 | 0 | 125.2 | |||||
| 413 | M | 22.6 | Very low | 24 | Very low | 147 Ų | 147 | 140 Ų | 140 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 83.3 | 166.9 | 163.9 | -71.3 | -72 | 171.7 | 0 | 0 | 117.5 | ||||
| 414 | P | 30.2 | Very low | 24 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | -139.1 | 168.3 | -91.2 | 38.9 | -18.4 | 0 | 0 | 0 | 116.8 | |||||
| 415 | T | 23.2 | Very low | 24.1 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 92% | 0.92 | 74% | 0.739 | S | S | * | * | trans | -164.8 | 169.9 | 153.6 | -1.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 416 | N | 22.3 | Very low | 24.3 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | -114.6 | 153.4 | -177 | -100.4 | -64.9 | 0 | 0 | 0 | 112.5 | ||||
| 417 | R | 22.7 | Very low | 24.3 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 45.7 | 114.8 | 151.5 | -64.7 | 179.4 | 177.2 | 172.6 | 0.2 | 119.8 | ||||
| 418 | I | 23.8 | Very low | 24.3 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | -123.1 | 153.9 | 124.3 | -62.4 | -177.5 | 0 | 0 | 0 | 107.3 | |||||
| 419 | A | 24.6 | Very low | 24.3 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | trans | -147.3 | -175.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 420 | T | 23.2 | Very low | 24.4 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 37% | 0.374 | 74% | 0.741 | S | S | . | * | trans | 80.5 | 153.4 | 170 | 76 | 0 | 0 | 0 | 0 | 115.7 | T878 P879 | T420-T878 WeakPolarHBondContact OG1-CB 3.35Å; T420-T878 VanDerWaalsContact OG1-CG2 3.23Å; T420-T878 WeakPolarHBondContact OG1-CG2 3.27Å; T420-P879 WeakPolarHBondContact CB-O 3.33Å; T420-P879 VanDerWaalsContact CG2-C 3.45Å; T420-P879 WeakPolarHBondContact CG2-O 3.24Å | ||
| 421 | A | 23.6 | Very low | 24.5 | Very low | 67 Ų | 67 | 129 Ų | 129 | 55% | 0.554 | 73% | 0.731 | S | S | * | * | cis | -98.5 | 175.9 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 422 | G | 24.2 | Very low | 24.5 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | 109.4 | 116.4 | 20.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 423 | T | 25.5 | Very low | 24.5 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | -153.4 | 146 | 69.9 | 39.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 424 | S | 26.4 | Very low | 24.5 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | cis | 99.9 | 111.9 | 30.7 | 79.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 425 | N | 26.3 | Very low | 24.1 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | trans | -177 | 100.1 | 149.2 | -91 | -24.2 | 0 | 0 | 0 | 107.3 | ||||
| 426 | I | 27.3 | Very low | 24.1 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | cis | 85 | 104.4 | 35.4 | -53.7 | 172.9 | 0 | 0 | 0 | 114.3 | ||||
| 427 | R | 25.4 | Very low | 24.1 | Very low | 250 Ų | 250 | 128.4 Ų | 128.4 | 94% | 0.943 | 71% | 0.708 | S | S | * | * | trans | 173.1 | 143.4 | 134.7 | -94.8 | 167.4 | -168.5 | -145.9 | 3.3 | 109.4 | ||||
| 428 | G | 23.9 | Very low | 24.1 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | cis | 163.6 | 134.6 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 429 | G | 24.5 | Very low | 24 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | trans | 81.2 | 164.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 430 | Q | 25.9 | Very low | 23.9 | Very low | 179 Ų | 179 | 129 Ų | 129 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | cis | -161.8 | 162.7 | -8.3 | -107.7 | 178.3 | 4.8 | 0 | 0 | 105.5 | ||||
| 431 | L | 24 | Very low | 24.2 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | cis | -166.8 | 167.3 | 24.8 | -125.1 | 161.5 | 0 | 0 | 0 | 108.5 | ||||
| 432 | L | 23.3 | Very low | 24.2 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | 63.4 | 153 | 162.7 | -58.1 | 164.7 | 0 | 0 | 0 | 118.7 | ||||
| 433 | S | 22.9 | Very low | 24.1 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 52% | 0.517 | 73% | 0.726 | S | S | . | * | 170.4 | 156.4 | -50.3 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 434 | N | 22.6 | Very low | 24.1 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | 71.6 | 143.5 | 162.3 | -55.4 | -21.7 | 0 | 0 | 0 | 116.7 | ||||
| 435 | W | 21 | Very low | 24 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | cis | -139.7 | 138.1 | -10 | -111.3 | 29 | 0 | 0 | 0 | 106.1 | ||||
| 436 | Q | 22.1 | Very low | 24 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 57% | 0.57 | 73% | 0.729 | S | S | * | * | 88.5 | 110.5 | 68.8 | -166.6 | 172.7 | -8.9 | 0 | 0 | 114.5 | |||||
| 437 | H | 23.6 | Very low | 23.9 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | trans | 62.8 | 128.1 | 151.1 | -76.7 | -19.1 | 0 | 0 | 0 | 124.1 | ||||
| 438 | Q | 22.4 | Very low | 23.9 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | 73.5 | 143.2 | 123.9 | -71.7 | -177.3 | -16.2 | 0 | 0 | 123.1 | |||||
| 439 | Q | 22.7 | Very low | 23.9 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | 67.9 | 122 | 145.3 | -60.5 | -101.9 | 29.5 | 0 | 0 | 120.4 | ||||
| 440 | Q | 21.8 | Very low | 24 | Very low | 170 Ų | 170 | 147.3 Ų | 147.3 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | 73.1 | 169.4 | 138.4 | -74.8 | -166.3 | 45 | 0 | 0 | 118.3 | ||||
| 441 | P | 30.2 | Very low | 24.1 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | -109 | -177.3 | -143.3 | 42.3 | -39.1 | 0 | 0 | 0 | 115.9 | ||||
| 442 | N | 22.2 | Very low | 24.3 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 104.8 | 129.9 | 155.5 | -77.5 | -51.5 | 0 | 0 | 0 | 119.6 | ||||
| 443 | R | 23.5 | Very low | 24.9 | Very low | 200 Ų | 200 | 144.5 Ų | 144.5 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | 77.5 | 114.2 | 137.8 | -75.9 | 177.7 | 176.8 | -163.8 | 0.7 | 122 | ||||
| 444 | Q | 24 | Very low | 24.9 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | 91.5 | 146.3 | 122.3 | -72.4 | 173.2 | -59 | 0 | 0 | 120.4 | |||||
| 445 | Q | 25.3 | Very low | 25.1 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | 63.4 | 102.1 | 167.3 | -68.7 | 159.3 | -12.4 | 0 | 0 | 115.1 | ||||
| 446 | A | 25.4 | Very low | 25.3 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | cis | 93.5 | 155.5 | 33.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 447 | N | 25.4 | Very low | 25.5 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | 76.7 | 146.2 | 173.3 | -61.9 | -5.5 | 0 | 0 | 0 | 116.6 | ||||
| 448 | L | 24.6 | Very low | 25.7 | Very low | 138 Ų | 138 | 145 Ų | 145 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | cis | -157.6 | 132.8 | -9.7 | -106.9 | 162.9 | 0 | 0 | 0 | 110.4 | ||||
| 449 | Y | 24.8 | Very low | 26 | Very low | 199 Ų | 199 | 143.2 Ų | 143.2 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | 29.8 | 134.7 | 145.5 | -77 | -107.7 | 0 | 0 | 0 | 125.4 | ||||
| 450 | D | 27.5 | Very low | 26.1 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | 30.2 | 140.2 | 129.4 | -54.7 | -12.3 | 0 | 0 | 0 | 124.1 | |||||
| 451 | A | 27.4 | Very low | 26.3 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -157.1 | 157 | 147.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 452 | H | 28.2 | Very low | 26.1 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -74.7 | 179.7 | 174 | -112.8 | -106.5 | 0 | 0 | 0 | 113 | ||||
| 453 | P | 34.5 | Very low | 26.3 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | -135.5 | 115.2 | 127.9 | 35.4 | -24.3 | 0 | 0 | 0 | 114.7 | |||||
| 454 | E | 24.2 | Very low | 26.4 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -125.3 | 156.1 | 132.3 | -76.8 | -160.2 | 144.9 | 0 | 0 | 108 | ||||
| 455 | S | 26.8 | Very low | 26.5 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | trans | 81.7 | 131.8 | 170.3 | 83.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 456 | L | 24.9 | Very low | 26.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 67.9 | 97.1 | 139.3 | -63.4 | 167.9 | 0 | 0 | 0 | 123.4 | ||||
| 457 | I | 26.7 | Very low | 26.5 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | 30 | 117.1 | 111.7 | -49.4 | 170.9 | 0 | 0 | 0 | 118 | |||||
| 458 | H | 27.8 | Very low | 26.5 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | 166 | 136.6 | 102.5 | -148.3 | -7.1 | 0 | 0 | 0 | 114 | |||||
| 459 | N | 28.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 144 Ų | 144 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | 66.9 | 166.2 | 159.7 | -61.7 | -37.6 | 0 | 0 | 0 | 119.9 | ||||
| 460 | L | 25.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | -177.7 | 147.2 | -61.7 | -109.7 | 171.6 | 0 | 0 | 0 | 110 | |||||
| 461 | N | 25 | Very low | 26.6 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | 74 | 156.6 | 158.4 | -65.2 | -28.5 | 0 | 0 | 0 | 121.5 | ||||
| 462 | Q | 26 | Very low | 26.6 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 78.9 | 123.6 | 170 | -53 | -143.3 | 77.9 | 0 | 0 | 115.5 | ||||
| 463 | L | 26.5 | Very low | 26.4 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | cis | -142.8 | 161.3 | 2.7 | -98.2 | 142.5 | 0 | 0 | 0 | 112.9 | ||||
| 464 | T | 25 | Very low | 25.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | trans | -46.3 | 162.1 | 161.8 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 465 | D | 26.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | -170.9 | 157.4 | 60.7 | -136.3 | -13.4 | 0 | 0 | 0 | 116.5 | |||||
| 466 | N | 26.8 | Very low | 25.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | 47.6 | 150.9 | 153 | -69.5 | -49.7 | 0 | 0 | 0 | 122.7 | ||||
| 467 | R | 23.9 | Very low | 25.8 | Very low | 216 Ų | 216 | 140 Ų | 140 | 82% | 0.815 | 72% | 0.716 | S | S | * | * | cis | 177.1 | 141 | -33.1 | -123.5 | -172.8 | 178.5 | 179.7 | -0.7 | 107.7 | ||||
| 468 | S | 24.5 | Very low | 25.8 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | 67.3 | 165.9 | 154.7 | 91.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 469 | R | 23.5 | Very low | 25.8 | Very low | 216 Ų | 216 | 138.4 Ų | 138.4 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | cis | -164.8 | 161 | -20 | -121.9 | 178.7 | -176.6 | 169.9 | -0.5 | 109.6 | ||||
| 470 | N | 24.1 | Very low | 25.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | 66.4 | 136.7 | 153.7 | -58.1 | -1.3 | 0 | 0 | 0 | 120 | ||||
| 471 | A | 31.1 | Very low | 25.7 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | trans | -76.6 | 164.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 472 | P | 29.2 | Very low | 25.8 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 71% | 0.705 | S | S | * | * | -149.3 | 148.7 | 125 | 38.1 | -23.1 | 0 | 0 | 0 | 116 | |||||
| 473 | Y | 23 | Very low | 25.7 | Very low | 222 Ų | 222 | 135.2 Ų | 135.2 | 87% | 0.871 | 70% | 0.704 | S | S | * | * | trans | 54.1 | 157.6 | 133.4 | -74.8 | -117.4 | 0 | 0 | 0 | 121.1 | ||||
| 474 | S | 22.6 | Very low | 25.6 | Very low | 77 Ų | 77 | 136 Ų | 136 | 54% | 0.538 | 70% | 0.704 | S | S | . | * | cis | 178.5 | 179.8 | -22.4 | 61.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 475 | L | 23 | Very low | 25.6 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | trans | 69.1 | 112.8 | 149.6 | -73.6 | 170.1 | 0 | 0 | 0 | 117.9 | ||||
| 476 | Q | 25.3 | Very low | 25.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | 90.8 | 156.8 | 96.8 | -112.8 | -175.7 | 21.4 | 0 | 0 | 111.8 | |||||
| 477 | Q | 27 | Very low | 25.4 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | cis | -159.2 | 147.2 | 23.7 | -162.1 | 172.8 | 93.1 | 0 | 0 | 113.2 | ||||
| 478 | Q | 26.1 | Very low | 25.6 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | trans | 62.9 | 157.7 | 160 | -77.6 | 158.5 | 25.5 | 0 | 0 | 118.6 | ||||
| 479 | Q | 27.6 | Very low | 25.8 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 61% | 0.612 | 70% | 0.7 | S | S | * | * | cis | -142.6 | 133.6 | -2.1 | -130.8 | 130.6 | 17.7 | 0 | 0 | 108.3 | ||||
| 480 | Q | 27.1 | Very low | 26 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 67% | 0.673 | 70% | 0.696 | S | S | * | * | 56.5 | 143.2 | 104.7 | -61.8 | 180 | -11.8 | 0 | 0 | 116.6 | |||||
| 481 | Q | 25.9 | Very low | 26.1 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | cis | -158.2 | 130.2 | -10.6 | -110.9 | 161.2 | -1 | 0 | 0 | 105.8 | ||||
| 482 | A | 25.8 | Very low | 26 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | 72.3 | 147.6 | 85.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 483 | S | 24 | Very low | 25.8 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | 65.6 | 148.2 | 164.1 | 58.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 484 | Q | 25.3 | Very low | 26.2 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | cis | -166.8 | 158.9 | -6.8 | -119.4 | 174.6 | 38.3 | 0 | 0 | 109.4 | ||||
| 485 | N | 24.1 | Very low | 26.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | trans | 66.2 | 166.7 | 150.4 | -66.8 | -26.3 | 0 | 0 | 0 | 116.5 | ||||
| 486 | R | 24.5 | Very low | 27.1 | Very low | 202 Ų | 202 | 125.3 Ų | 125.3 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | cis | -155.5 | 135.2 | 0.8 | -132.1 | 159.4 | -158.3 | -174 | 4.1 | 111.5 | ||||
| 487 | T | 25.5 | Very low | 27.3 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | trans | 53.5 | 143.5 | 134.6 | 56.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 488 | H | 28.4 | Very low | 27.6 | Very low | 182 Ų | 182 | 126.3 Ų | 126.3 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | 67 | 147 | 155 | -55.7 | -54 | 0 | 0 | 0 | 118.2 | ||||
| 489 | G | 27.7 | Very low | 27.7 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | cis | 173.7 | 165.6 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 490 | D | 28.3 | Very low | 27.8 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 66.8 | 153.2 | 154.5 | -57.3 | -43.6 | 0 | 0 | 0 | 119.9 | ||||
| 491 | Q | 27.4 | Very low | 27.9 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 65% | 0.654 | 70% | 0.697 | S | S | * | * | cis | -167.1 | 162.3 | -15.6 | -113.5 | 169.6 | 48 | 0 | 0 | 111.7 | ||||
| 492 | I | 27.3 | Very low | 28.1 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | trans | 67.5 | 146.3 | 145.3 | -69.6 | 168.8 | 0 | 0 | 0 | 119.3 | ||||
| 493 | C | 26.9 | Very low | 28.1 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | cis | -161.7 | 179.4 | -23.8 | -104 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 494 | D | 29.5 | Very low | 28.3 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 49% | 0.487 | 69% | 0.686 | S | S | . | * | trans | -101.6 | -156.7 | -170 | -118.2 | 6.5 | 0 | 0 | 0 | 113.4 | R807 T808 | D494-R807 VanDerWaalsContact CG-NH1 3.35Å; D494-R807 VanDerWaalsContact OD1-CD 3.27Å; D494-R807 WeakPolarHBondContact OD1-CD 3.48Å; D494-R807 IonicContact OD1-CZ 3.17Å; D494-R807 IonicContact OD1-NE 3.81Å; D494-R807 IonicContact OD1-NH1 3.33Å; D494-R807 PolarHBondContact OD1-NH1 3.49Å; D494-R807 IonicContact OD2-NH1 3.64Å; D494-T808 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 495 | P | 36 | Very low | 28.3 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 66% | 0.662 | 68% | 0.684 | S | S | * | * | cis | -144.9 | -178.8 | -45.1 | 41.2 | -23.8 | 0 | 0 | 0 | 117.4 | T808 | P495-T808 HydrophobicContact CB-CG2 3.73Š| ||
| 496 | G | 29.5 | Very low | 28.3 | Very low | 59 Ų | 59 | 129.8 Ų | 129.8 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | trans | 99.8 | 169.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | T808 | G496-T808 PolarHBondContact N-OG1 3.09Š| ||
| 497 | K | 30.3 | Very low | 28.3 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | cis | -171.8 | -177.2 | -14 | -144.9 | 175.1 | -176.2 | 177.3 | 0 | 112.5 | ||||
| 498 | V | 31.7 | Very low | 28.3 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | 82.3 | 118.8 | 168.2 | -167 | 0 | 0 | 0 | 0 | 116 | ||||
| 499 | S | 28.4 | Very low | 28.2 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | 84.2 | 145.8 | 50.8 | -150.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 500 | N | 30.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | cis | -125.6 | -177.8 | 23.1 | -72.3 | -15.6 | 0 | 0 | 0 | 112.6 | ||||
| 501 | Q | 28.1 | Very low | 28 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | cis | 80 | 149.7 | 21.7 | -81.9 | -152.5 | 62.7 | 0 | 0 | 117.7 | ||||
| 502 | P | 30.9 | Very low | 27.9 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | cis | -153.8 | -163.7 | -23.2 | 43.9 | -22.8 | 0 | 0 | 0 | 118 | ||||
| 503 | Q | 26 | Very low | 28 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | 75.4 | 156.1 | 147.3 | -76.1 | 165.9 | 17.6 | 0 | 0 | 120.4 | ||||
| 504 | Q | 27.1 | Very low | 27.9 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 66% | 0.659 | 72% | 0.72 | S | S | * | * | cis | -161.6 | 142.9 | -0 | -132.9 | 155.9 | 25.2 | 0 | 0 | 115.4 | ||||
| 505 | T | 25.7 | Very low | 27.7 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | trans | 55.5 | 166.4 | 147.9 | 48 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 506 | R | 25.1 | Very low | 27.5 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | cis | -148.6 | 129.9 | -8.7 | -120.8 | 155.2 | -172.9 | -173.7 | 2.7 | 106.3 | ||||
| 507 | L | 22.8 | Very low | 27.6 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | 38.3 | 109.9 | 98 | -66.6 | 167.1 | 0 | 0 | 0 | 115.9 | |||||
| 508 | Q | 27 | Very low | 27.6 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | -173.7 | 133.4 | 118.2 | -102.5 | 170.8 | -6.3 | 0 | 0 | 114.5 | |||||
| 509 | N | 26.8 | Very low | 27.7 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | 57.9 | 110.2 | 143.2 | -58.1 | 4.3 | 0 | 0 | 0 | 122.9 | ||||
| 510 | Q | 23.5 | Very low | 28.2 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -33.8 | 163 | 137.6 | -87.9 | -177.2 | 20.1 | 0 | 0 | 115.6 | ||||
| 511 | P | 27.7 | Very low | 28.4 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | cis | -147.6 | 165.3 | 45.8 | 42.3 | -22.4 | 0 | 0 | 0 | 120.9 | ||||
| 512 | N | 25 | Very low | 28.9 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | trans | 16.9 | 118.6 | 146.6 | -58.3 | -18.7 | 0 | 0 | 0 | 120 | ||||
| 513 | Q | 28.6 | Very low | 29.3 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 94% | 0.944 | 71% | 0.708 | S | S | * | * | -124.6 | 123.1 | 122.1 | -75.9 | -166.8 | -20.4 | 0 | 0 | 109.5 | |||||
| 514 | Q | 24.9 | Very low | 29.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -89.4 | 176.1 | 169.9 | -68 | 175.3 | -25.8 | 0 | 0 | 109.7 | ||||
| 515 | Q | 26.2 | Very low | 30.3 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | trans | 79.8 | 142 | 178.3 | -50.1 | -177.5 | -5.2 | 0 | 0 | 114.9 | ||||
| 516 | T | 31.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 60 | 129.7 | -156 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 517 | N | 32.4 | Very low | 31.2 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 40% | 0.401 | 68% | 0.684 | S | S | . | * | S | Bend | cis | -137.5 | 49.1 | 9.3 | -113.9 | -21.7 | 0 | 0 | 0 | 114 | Q519 Q520 | N517-Q519 PolarHBondContact O-N 2.95Å; N517-Q519 VanDerWaalsContact O-N 3.09Å; N517-Q520 HydrophobicContact CB-CB 4.22Å; N517-Q520 HydrophobicContact CB-CG 4.06Å; N517-Q520 PolarHBondContact ND2-NE2 3.46Å; N517-Q520 PolarHBondContact ND2-OE1 3.08Å; N517-Q520 VanDerWaalsContact ND2-OE1 3.15Å; N517-Q520 PolarHBondContact O-N 2.97Å |
| 518 | Y | 28.9 | Very low | 31.7 | Very low | 203 Ų | 203 | 128.7 Ų | 128.7 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -58.9 | -16.3 | 165.1 | -118.5 | -86 | 0 | 0 | 0 | 113 | ||
| 519 | Q | 35.2 | Very low | 31.9 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 73% | 0.729 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.5 | -23.7 | 168.2 | -76.6 | -175.8 | -20.2 | 0 | 0 | 114.2 | N517 S523 | N517-Q519 PolarHBondContact O-N 2.95Å; N517-Q519 VanDerWaalsContact O-N 3.09Å; Q519-S523 WeakPolarHBondContact O-CB 3.4Å; Q519-S523 PolarHBondContact O-N 2.91Å; Q519-S523 PolarHBondContact O-OG 2.71Å |
| 520 | Q | 38 | Very low | 32 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 59% | 0.589 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.2 | -33.4 | -179.6 | -79.8 | -175.9 | -28 | 0 | 0 | 113.4 | N517 S523 A524 | N517-Q520 HydrophobicContact CB-CB 4.22Å; N517-Q520 HydrophobicContact CB-CG 4.06Å; N517-Q520 PolarHBondContact ND2-NE2 3.46Å; N517-Q520 PolarHBondContact ND2-OE1 3.08Å; N517-Q520 VanDerWaalsContact ND2-OE1 3.15Å; N517-Q520 PolarHBondContact O-N 2.97Å; Q520-S523 WeakPolarHBondContact CA-OG 3.45Å; Q520-S523 PolarHBondContact O-OG 3.39Å; Q520-A524 PolarHBondContact O-N 2.84Å |
| 521 | L | 35.1 | Very low | 32.3 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 64% | 0.644 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.9 | -33.1 | 175.7 | -135.1 | 159.2 | 0 | 0 | 0 | 111.6 | L525 | L521-L525 HydrophobicContact CD2-CD1 4.14Å; L521-L525 PolarHBondContact O-N 2.96Å |
| 522 | I | 39.8 | Very low | 32.4 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -73.6 | -36.2 | 174.4 | -68 | 176.3 | 0 | 0 | 0 | 111.9 | L525 L526 | I522-L525 PolarHBondContact O-N 3.11Å; I522-L526 HydrophobicContact CG2-CD1 3.87Å; I522-L526 PolarHBondContact O-N 3.29Å |
| 523 | S | 38.8 | Very low | 32.6 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 46% | 0.462 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -71.6 | -29.1 | 174.5 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | Q519 Q520 L525 A527 | Q519-S523 WeakPolarHBondContact O-CB 3.4Å; Q519-S523 PolarHBondContact O-N 2.91Å; Q519-S523 PolarHBondContact O-OG 2.71Å; Q520-S523 WeakPolarHBondContact CA-OG 3.45Å; Q520-S523 PolarHBondContact O-OG 3.39Å; S523-L525 VanDerWaalsContact C-N 3.29Å; S523-L525 PolarHBondContact O-N 3.48Å; S523-A527 WeakPolarHBondContact O-CB 3.48Å; S523-A527 PolarHBondContact O-N 3.44Å |
| 524 | A | 36.9 | Very low | 32.9 | Very low | 67 Ų | 67 | 114.8 Ų | 114.8 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.3 | -31.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q520 | Q520-A524 PolarHBondContact O-N 2.84Å |
| 525 | L | 35.9 | Very low | 33.1 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -91.1 | -26.1 | -180 | -78.8 | 162.9 | 0 | 0 | 0 | 114.1 | L521 I522 S523 | L521-L525 HydrophobicContact CD2-CD1 4.14Å; L521-L525 PolarHBondContact O-N 2.96Å; I522-L525 PolarHBondContact O-N 3.11Å; S523-L525 VanDerWaalsContact C-N 3.29Å; S523-L525 PolarHBondContact O-N 3.48Å |
| 526 | L | 35.7 | Very low | 33.2 | Very low | 99 Ų | 99 | 106.2 Ų | 106.2 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.4 | -31.1 | 168.4 | -96.2 | 76.5 | 0 | 0 | 0 | 112.9 | I522 A528 A529 S530 | I522-L526 HydrophobicContact CG2-CD1 3.87Å; I522-L526 PolarHBondContact O-N 3.29Å; L526-A528 PolarHBondContact O-N 2.95Å; L526-A528 VanDerWaalsContact O-N 3.13Å; L526-A529 PolarHBondContact O-N 2.95Å; L526-S530 PolarHBondContact O-N 3.3Å; L526-S530 VanDerWaalsContact O-N 3.17Å; L526-S530 PolarHBondContact O-OG 2.96Å |
| 527 | A | 34.8 | Very low | 33.1 | Very low | 77 Ų | 77 | 106 Ų | 106 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -23.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S523 | S523-A527 WeakPolarHBondContact O-CB 3.48Å; S523-A527 PolarHBondContact O-N 3.44Å |
| 528 | A | 34.2 | Very low | 32.8 | Very low | 96 Ų | 96 | 107.3 Ų | 107.3 | 79% | 0.793 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -7.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L526 | L526-A528 PolarHBondContact O-N 2.95Å; L526-A528 VanDerWaalsContact O-N 3.13Å |
| 529 | A | 30.4 | Very low | 32.8 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.8 | -7.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L526 | L526-A529 PolarHBondContact O-N 2.95Š|
| 530 | S | 28.7 | Very low | 32.3 | Very low | 87 Ų | 87 | 103.5 Ų | 103.5 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | trans | -142.8 | 56.7 | -174.6 | 71.3 | 0 | 0 | 0 | 0 | 115.5 | L526 | L526-S530 PolarHBondContact O-N 3.3Å; L526-S530 VanDerWaalsContact O-N 3.17Å; L526-S530 PolarHBondContact O-OG 2.96Å | ||
| 531 | A | 30.4 | Very low | 31.7 | Very low | 89 Ų | 89 | 102.3 Ų | 102.3 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | trans | -128.4 | 51.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 532 | S | 29.9 | Very low | 31.4 | Very low | 93 Ų | 93 | 104.5 Ų | 104.5 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | trans | -123.2 | 99.5 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | K271 | K271-S532 VanDerWaalsContact CE-O 3.32Å; K271-S532 WeakPolarHBondContact CE-O 3.3Å; K271-S532 PolarHBondContact NZ-O 3.13Å | ||
| 533 | K | 29.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 105.5 Ų | 105.5 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | trans | 59.6 | 102.8 | 171.9 | -57.6 | 176.1 | 179.2 | 175.1 | 0 | 117.4 | K271 | K271-K533 HydrophobicContact CD-CB 4.18Å; K271-K533 WeakPolarHBondContact CD-O 3.39Å | ||
| 534 | S | 33.4 | Very low | 30 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | -150.6 | 154.4 | 123 | 75.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 535 | R | 29.4 | Very low | 29.5 | Very low | 99 Ų | 99 | 109.9 Ų | 109.9 | 37% | 0.374 | 66% | 0.659 | S | S | . | * | trans | -157.6 | 139.9 | -152.7 | -168.8 | -144.3 | 154.3 | -169.2 | -5.4 | 111.8 | M1480 L1481 P1482 | R535-M1480 PolarHBondContact NH1-O 3.41Å; R535-L1481 PolarHBondContact NH1-O 3.02Å; R535-L1481 VanDerWaalsContact NH1-O 3.1Å; R535-L1481 PolarHBondContact NH2-O 3.11Å; R535-P1482 HydrophobicContact CG-CG 4.13Å; R535-P1482 VanDerWaalsContact CZ-N 3.3Å; R535-P1482 VanDerWaalsContact NE-CD 3.34Å | ||
| 536 | L | 28.4 | Very low | 29.1 | Very low | 65 Ų | 65 | 112 Ų | 112 | 34% | 0.34 | 67% | 0.67 | S | S | . | * | trans | 123.2 | 133.8 | 146.8 | -71.9 | 164.5 | 0 | 0 | 0 | 119.9 | K264 | K264-L536 HydrophobicContact CB-CB 4.44Å; K264-L536 HydrophobicContact CB-CD1 4.33Å; K264-L536 HydrophobicContact CD-CB 3.85Å; K264-L536 HydrophobicContact CD-CD1 3.5Å; K264-L536 VanDerWaalsContact CD-CD1 3.5Å; K264-L536 HydrophobicContact CD-CG 4.19Å; K264-L536 HydrophobicContact CG-CB 4.38Å; K264-L536 HydrophobicContact CG-CD1 3.64Å | ||
| 537 | E | 28.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 57% | 0.57 | 68% | 0.68 | S | S | * | * | trans | 43 | 117.9 | 144.3 | -70.6 | 157.2 | -130 | 0 | 0 | 119.2 | K264 | K264-E537 IonicContact NZ-OE1 3.66Å; K264-E537 PolarHBondContact NZ-OE1 3.07Å; K264-E537 IonicContact NZ-OE2 3.75Å; K264-E537 PolarHBondContact NZ-OE2 2.95Å | ||
| 538 | S | 27.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | cis | 84.8 | 120.7 | 42.7 | 80.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 539 | Q | 27.5 | Very low | 28.4 | Very low | 184 Ų | 184 | 117.7 Ų | 117.7 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | trans | -157.4 | 129.9 | 139.1 | -115.7 | 172.8 | 20.1 | 0 | 0 | 112 | ||||
| 540 | S | 24.4 | Very low | 28.3 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | trans | 23.5 | 152.7 | 144.5 | 54.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 541 | S | 26.5 | Very low | 28.4 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | 74.7 | 148.2 | 153.8 | 77.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 542 | H | 27.8 | Very low | 28.3 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | cis | -156 | -177.7 | -21.9 | -112.9 | -48 | 0 | 0 | 0 | 108.6 | ||||
| 543 | T | 26 | Very low | 28.4 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | trans | 17.1 | 131.1 | 150.8 | 56.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 544 | S | 25 | Very low | 28.4 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | cis | 152.1 | 174.5 | 15.8 | 50.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 545 | N | 25.3 | Very low | 28 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | 76.9 | 132.3 | 148.6 | -66.5 | -9.6 | 0 | 0 | 0 | 121.4 | ||||
| 546 | L | 28.5 | Very low | 28.1 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | 79.5 | 93 | 145 | -64.9 | 163.8 | 0 | 0 | 0 | 121.1 | ||||
| 547 | S | 25.6 | Very low | 28 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -53.5 | -176.2 | 132 | -24 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 548 | P | 34.6 | Very low | 28 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | cis | -147.8 | -162.2 | 21.6 | 35 | -8.3 | 0 | 0 | 0 | 116.9 | ||||
| 549 | M | 28.7 | Very low | 27.9 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | trans | 77.3 | 143.4 | 161.1 | -57.5 | 171.4 | 75.3 | 0 | 0 | 117.9 | ||||
| 550 | G | 29.1 | Very low | 27.8 | Very low | 60 Ų | 60 | 134.6 Ų | 134.6 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | cis | 176.3 | 175.3 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 551 | V | 30.7 | Very low | 27.8 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 143 | 161.5 | -52 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 552 | D | 28.2 | Very low | 27.8 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | -162.2 | 168.6 | -26.9 | -119 | -45.1 | 0 | 0 | 0 | 113 | ||||
| 553 | A | 31 | Very low | 27.6 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 62.4 | 152 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 554 | A | 29.9 | Very low | 27.6 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | cis | -168.2 | 157.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 555 | W | 26.1 | Very low | 27.5 | Very low | 189 Ų | 189 | 145 Ų | 145 | 72% | 0.716 | 78% | 0.784 | S | S | * | * | cis | -149.9 | -83.2 | -14.9 | 173 | -113.5 | 0 | 0 | 0 | 110.9 | Q557 | W555-Q557 VanDerWaalsContact CH2-NE2 3.26Å; W555-Q557 WeakPolarHBondContact O-CG 3.36Å; W555-Q557 PolarHBondContact O-N 2.9Å | ||
| 556 | N | 29.9 | Very low | 27.6 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -46.9 | 114.5 | -171.9 | -65.7 | -39.5 | 0 | 0 | 0 | 113.2 | ||||
| 557 | Q | 27.6 | Very low | 27.5 | Very low | 109 Ų | 109 | 144 Ų | 144 | 51% | 0.509 | 77% | 0.769 | S | S | . | * | cis | 70.6 | 138.5 | 37.3 | -49.2 | -173.1 | 21 | 0 | 0 | 113.4 | W555 | W555-Q557 VanDerWaalsContact CH2-NE2 3.26Å; W555-Q557 WeakPolarHBondContact O-CG 3.36Å; W555-Q557 PolarHBondContact O-N 2.9Å | ||
| 558 | Q | 27.4 | Very low | 27.7 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | cis | -96.7 | 146.8 | 10.1 | -66.6 | 170.9 | -28.9 | 0 | 0 | 113.6 | ||||
| 559 | K | 25.7 | Very low | 27.7 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | trans | -114.7 | 158.5 | -172.4 | -74.8 | -177 | 175.7 | 176.4 | 0 | 113.3 | ||||
| 560 | F | 25.5 | Very low | 27.9 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -57.4 | 164.4 | 155.7 | -99.7 | -107.9 | 0 | 0 | 0 | 112.1 | ||
| 561 | N | 24.5 | Very low | 28.1 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 67.2 | 84.6 | 164.4 | -57.5 | -9.1 | 0 | 0 | 0 | 116.8 | ||||
| 562 | T | 26.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | -98.3 | 137.7 | 135.1 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 563 | S | 23.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -68.5 | 133.9 | 173.4 | 53 | 0 | 0 | 0 | 0 | 111 | ||||
| 564 | N | 25.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | trans | -164.5 | 94 | 143.7 | -100.4 | -30.3 | 0 | 0 | 0 | 112.9 | W566 | N564-W566 PolarHBondContact O-N 3.35Š| ||
| 565 | R | 23.6 | Very low | 29.9 | Very low | 242 Ų | 242 | 133.9 Ų | 133.9 | 91% | 0.913 | 67% | 0.673 | S | S | * | * | trans | 41 | 58.7 | 131.5 | -157.3 | -169.7 | -152.3 | 178.9 | 8.3 | 116.9 | S567 | R565-S567 PolarHBondContact O-N 3.33Š| ||
| 566 | W | 27.7 | Very low | 31 | Very low | 219 Ų | 219 | 127.5 Ų | 127.5 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | trans | -65.1 | 117.2 | 165 | -68.8 | -3.7 | 0 | 0 | 0 | 109.1 | N564 | N564-W566 PolarHBondContact O-N 3.35Š| ||
| 567 | S | 25.9 | Very low | 31.9 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 47% | 0.469 | 65% | 0.649 | S | S | . | * | trans | -76.2 | 157.1 | 176 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | R565 S569 E570 | R565-S567 PolarHBondContact O-N 3.33Å; S567-S569 PolarHBondContact O-N 2.87Å; S567-S569 PolarHBondContact OG-OG 3.45Å; S567-E570 PolarHBondContact O-N 3.38Å | ||
| 568 | D | 29.7 | Very low | 32.9 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -55.2 | -16.4 | -177.5 | -54.7 | -74.1 | 0 | 0 | 0 | 114.2 | A572 | D568-A572 WeakPolarHBondContact O-CB 3.3Å; D568-A572 PolarHBondContact O-N 3.25Å; D568-A572 VanDerWaalsContact O-N 3.17Å |
| 569 | S | 34.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.2 | -35.9 | 172.4 | 54 | 0 | 0 | 0 | 0 | 115.4 | S567 S573 | S567-S569 PolarHBondContact O-N 2.87Å; S567-S569 PolarHBondContact OG-OG 3.45Å; S569-S573 PolarHBondContact O-N 3.35Å; S569-S573 VanDerWaalsContact O-N 3.08Å |
| 570 | E | 32.9 | Very low | 35.9 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 46% | 0.458 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -85.2 | -27.9 | -177.1 | -70.4 | -167.5 | 114.2 | 0 | 0 | 112.9 | S567 A572 S573 N574 | S567-E570 PolarHBondContact O-N 3.38Å; E570-A572 VanDerWaalsContact C-N 3.33Å; E570-S573 PolarHBondContact O-OG 2.87Å; E570-N574 PolarHBondContact O-N 2.89Å; E570-N574 PolarHBondContact O-ND2 3.46Å; E570-N574 VanDerWaalsContact O-ND2 3.14Å |
| 571 | L | 34.7 | Very low | 37.4 | Very low | 120 Ų | 120 | 118 Ų | 118 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 168 | -138.8 | 77 | 0 | 0 | 0 | 110.5 | N575 | L571-N575 WeakPolarHBondContact O-CB 3.46Å; L571-N575 VanDerWaalsContact O-CG 3.29Å; L571-N575 PolarHBondContact O-N 3.38Å; L571-N575 VanDerWaalsContact O-N 3.08Å; L571-N575 PolarHBondContact O-ND2 3Å; L571-N575 VanDerWaalsContact O-ND2 3.14Å |
| 572 | A | 37.2 | Very low | 39 | Very low | 57 Ų | 57 | 117 Ų | 117 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.9 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D568 E570 A576 | D568-A572 WeakPolarHBondContact O-CB 3.3Å; D568-A572 PolarHBondContact O-N 3.25Å; D568-A572 VanDerWaalsContact O-N 3.17Å; E570-A572 VanDerWaalsContact C-N 3.33Å; A572-A576 VanDerWaalsContact O-CB 3.27Å; A572-A576 WeakPolarHBondContact O-CB 3.47Å; A572-A576 PolarHBondContact O-N 3.24Å |
| 573 | S | 38 | Very low | 41 | Very low | 50 Ų | 50 | 113.5 Ų | 113.5 | 35% | 0.35 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.7 | -30.2 | -176.9 | 74.4 | 0 | 0 | 0 | 0 | 113.8 | S569 E570 K577 | S569-S573 PolarHBondContact O-N 3.35Å; S569-S573 VanDerWaalsContact O-N 3.08Å; E570-S573 PolarHBondContact O-OG 2.87Å; S573-K577 WeakPolarHBondContact O-CG 3.32Å; S573-K577 PolarHBondContact O-N 2.9Å |
| 574 | N | 38.7 | Very low | 43.2 | Very low | 88 Ų | 88 | 113.5 Ų | 113.5 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -79 | -43.1 | 174.2 | -68.8 | -40.1 | 0 | 0 | 0 | 111.8 | E570 A576 K577 D578 | E570-N574 PolarHBondContact O-N 2.89Å; E570-N574 PolarHBondContact O-ND2 3.46Å; E570-N574 VanDerWaalsContact O-ND2 3.14Å; N574-A576 VanDerWaalsContact C-N 3.25Å; N574-A576 PolarHBondContact O-N 2.86Å; N574-K577 PolarHBondContact O-N 2.99Å; N574-K577 VanDerWaalsContact O-N 3.1Å; N574-D578 PolarHBondContact O-N 3.13Å |
| 575 | N | 43.2 | Very low | 45.2 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58 | -38 | 170.9 | -76.2 | -30.7 | 0 | 0 | 0 | 112 | L571 K577 D578 I579 | L571-N575 WeakPolarHBondContact O-CB 3.46Å; L571-N575 VanDerWaalsContact O-CG 3.29Å; L571-N575 PolarHBondContact O-N 3.38Å; L571-N575 VanDerWaalsContact O-N 3.08Å; L571-N575 PolarHBondContact O-ND2 3Å; L571-N575 VanDerWaalsContact O-ND2 3.14Å; N575-K577 VanDerWaalsContact C-N 3.35Å; N575-K577 PolarHBondContact O-N 2.9Å; N575-D578 PolarHBondContact O-N 3.08Å; N575-I579 WeakPolarHBondContact O-CB 3.26Å; N575-I579 WeakPolarHBondContact O-CD1 3.45Å; N575-I579 WeakPolarHBondContact O-CG1 3.21Å; N575-I579 PolarHBondContact O-N 2.73Å |
| 576 | A | 48.4 | Very low | 47.4 | Very low | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A572 N574 Q580 | A572-A576 VanDerWaalsContact O-CB 3.27Å; A572-A576 WeakPolarHBondContact O-CB 3.47Å; A572-A576 PolarHBondContact O-N 3.24Å; N574-A576 VanDerWaalsContact C-N 3.25Å; N574-A576 PolarHBondContact O-N 2.86Å; A576-Q580 WeakPolarHBondContact O-CB 3.36Å; A576-Q580 PolarHBondContact O-N 2.86Å |
| 577 | K | 49.1 | Very low | 49.6 | Very low | 124 Ų | 124 | 96.6 Ų | 96.6 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 176.5 | -72.1 | 168.8 | -174.9 | 168 | 0 | 112.1 | S573 N574 N575 Q580 Y581 | S573-K577 WeakPolarHBondContact O-CG 3.32Å; S573-K577 PolarHBondContact O-N 2.9Å; N574-K577 PolarHBondContact O-N 2.99Å; N574-K577 VanDerWaalsContact O-N 3.1Å; N575-K577 VanDerWaalsContact C-N 3.35Å; N575-K577 PolarHBondContact O-N 2.9Å; K577-Q580 PolarHBondContact O-N 3.45Å; K577-Y581 PolarHBondContact O-N 3.45Å |
| 578 | D | 48.5 | Very low | 51.8 | Low | 107 Ų | 107 | 99.7 Ų | 99.7 | 57% | 0.572 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 176.4 | -77.9 | -17.7 | 0 | 0 | 0 | 111.8 | N574 N575 Y581 Q582 | N574-D578 PolarHBondContact O-N 3.13Å; N575-D578 PolarHBondContact O-N 3.08Å; D578-Y581 PolarHBondContact O-N 2.92Å; D578-Q582 WeakPolarHBondContact O-CG 3.26Å; D578-Q582 PolarHBondContact O-N 3.1Å |
| 579 | I | 56.3 | Low | 53.8 | Low | 102 Ų | 102 | 97.2 Ų | 97.2 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 172 | -70.3 | 165.5 | 0 | 0 | 0 | 110.6 | N575 Y581 Q582 V583 | N575-I579 WeakPolarHBondContact O-CB 3.26Å; N575-I579 WeakPolarHBondContact O-CD1 3.45Å; N575-I579 WeakPolarHBondContact O-CG1 3.21Å; N575-I579 PolarHBondContact O-N 2.73Å; I579-Y581 VanDerWaalsContact C-N 3.34Å; I579-Y581 PolarHBondContact O-N 2.65Å; I579-Q582 PolarHBondContact O-N 3.18Å; I579-V583 HydrophobicContact CG2-CG2 4.42Å; I579-V583 WeakPolarHBondContact O-CG2 3.29Å; I579-V583 PolarHBondContact O-N 3.05Å |
| 580 | Q | 60.8 | Low | 55.6 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -41.5 | 177.6 | -168.6 | 172.6 | 10.3 | 0 | 0 | 111.6 | A576 K577 V583 Q584 | A576-Q580 WeakPolarHBondContact O-CB 3.36Å; A576-Q580 PolarHBondContact O-N 2.86Å; K577-Q580 PolarHBondContact O-N 3.45Å; Q580-V583 PolarHBondContact O-N 3.03Å; Q580-Q584 WeakPolarHBondContact O-CB 3.44Å; Q580-Q584 PolarHBondContact O-N 3.22Å |
| 581 | Y | 56.2 | Low | 57.6 | Low | 168 Ų | 168 | 102 Ų | 102 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 174.4 | -123.2 | -86.5 | 0 | 0 | 0 | 112.4 | K577 D578 I579 Q584 A585 | K577-Y581 PolarHBondContact O-N 3.45Å; D578-Y581 PolarHBondContact O-N 2.92Å; I579-Y581 VanDerWaalsContact C-N 3.34Å; I579-Y581 PolarHBondContact O-N 2.65Å; Y581-Q584 PolarHBondContact O-N 3.16Å; Y581-A585 WeakPolarHBondContact O-CB 3.37Å; Y581-A585 PolarHBondContact O-N 3.21Å |
| 582 | Q | 59 | Low | 59.6 | Low | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -40.9 | 175.3 | -76.5 | -171.7 | 4.1 | 0 | 0 | 112.6 | D578 I579 Q586 | D578-Q582 WeakPolarHBondContact O-CG 3.26Å; D578-Q582 PolarHBondContact O-N 3.1Å; I579-Q582 PolarHBondContact O-N 3.18Å; Q582-Q586 WeakPolarHBondContact O-CB 3.47Å; Q582-Q586 WeakPolarHBondContact O-CG 3.35Å; Q582-Q586 PolarHBondContact O-N 2.78Å |
| 583 | V | 67.4 | Low | 61.5 | Low | 71 Ų | 71 | 104.9 Ų | 104.9 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | I579 Q580 Q586 Q587 | I579-V583 HydrophobicContact CG2-CG2 4.42Å; I579-V583 WeakPolarHBondContact O-CG2 3.29Å; I579-V583 PolarHBondContact O-N 3.05Å; Q580-V583 PolarHBondContact O-N 3.03Å; V583-Q586 PolarHBondContact O-N 3.09Å; V583-Q587 WeakPolarHBondContact O-CG 3.14Å; V583-Q587 PolarHBondContact O-N 3.42Å |
| 584 | Q | 69.8 | Low | 63.3 | Low | 109 Ų | 109 | 109 Ų | 109 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 179.8 | -158.4 | 167.1 | 21.7 | 0 | 0 | 111.9 | Q580 Y581 Q587 Q588 | Q580-Q584 WeakPolarHBondContact O-CB 3.44Å; Q580-Q584 PolarHBondContact O-N 3.22Å; Y581-Q584 PolarHBondContact O-N 3.16Å; Q584-Q587 PolarHBondContact O-N 3.29Å; Q584-Q588 PolarHBondContact O-N 3.45Å |
| 585 | A | 68.4 | Low | 65 | Low | 40 Ų | 40 | 111.3 Ų | 111.3 | 33% | 0.331 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y581 Q587 Q588 I589 | Y581-A585 WeakPolarHBondContact O-CB 3.37Å; Y581-A585 PolarHBondContact O-N 3.21Å; A585-Q587 VanDerWaalsContact C-N 3.29Å; A585-Q587 PolarHBondContact O-N 3.41Å; A585-Q588 PolarHBondContact O-N 3.24Å; A585-I589 WeakPolarHBondContact O-CG1 3.5Å; A585-I589 PolarHBondContact O-N 3.45Å |
| 586 | Q | 70.3 | Confident | 66.5 | Low | 99 Ų | 99 | 113.1 Ų | 113.1 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 174.2 | -81 | -163.3 | 2.8 | 0 | 0 | 113.4 | Q582 V583 R590 | Q582-Q586 WeakPolarHBondContact O-CB 3.47Å; Q582-Q586 WeakPolarHBondContact O-CG 3.35Å; Q582-Q586 PolarHBondContact O-N 2.78Å; V583-Q586 PolarHBondContact O-N 3.09Å; Q586-R590 WeakPolarHBondContact O-CB 3.49Å; Q586-R590 PolarHBondContact O-N 3.04Å; Q586-R590 VanDerWaalsContact O-N 3.08Å |
| 587 | Q | 73.1 | Confident | 67.5 | Low | 109 Ų | 109 | 113.3 Ų | 113.3 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 173.8 | -78.1 | 179.1 | -29.9 | 0 | 0 | 111.4 | V583 Q584 A585 R590 Q591 | V583-Q587 WeakPolarHBondContact O-CG 3.14Å; V583-Q587 PolarHBondContact O-N 3.42Å; Q584-Q587 PolarHBondContact O-N 3.29Å; A585-Q587 VanDerWaalsContact C-N 3.29Å; A585-Q587 PolarHBondContact O-N 3.41Å; Q587-R590 PolarHBondContact O-N 2.86Å; Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 3.43Å |
| 588 | Q | 72.3 | Confident | 68.7 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 62% | 0.621 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 175 | -74.1 | -175.9 | -28.3 | 0 | 0 | 112.2 | Q584 A585 R590 Q591 Q592 | Q584-Q588 PolarHBondContact O-N 3.45Å; A585-Q588 PolarHBondContact O-N 3.24Å; Q588-R590 VanDerWaalsContact C-N 3.33Å; Q588-R590 PolarHBondContact O-N 3.1Å; Q588-Q591 PolarHBondContact O-N 2.73Å; Q588-Q592 WeakPolarHBondContact O-CB 3.41Å; Q588-Q592 PolarHBondContact O-N 3.02Å |
| 589 | I | 71.6 | Confident | 69.7 | Low | 90 Ų | 90 | 109.8 Ų | 109.8 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 176.3 | -67.8 | 166.4 | 0 | 0 | 0 | 110.9 | A585 Q592 Q593 | A585-I589 WeakPolarHBondContact O-CG1 3.5Å; A585-I589 PolarHBondContact O-N 3.45Å; I589-Q592 PolarHBondContact O-N 3.31Å; I589-Q593 HydrophobicContact CG2-CG 4.46Å; I589-Q593 WeakPolarHBondContact O-CB 3.45Å; I589-Q593 WeakPolarHBondContact O-CG 3.39Å; I589-Q593 PolarHBondContact O-N 3.48Å |
| 590 | R | 71.1 | Confident | 70.3 | Confident | 148 Ų | 148 | 107.8 Ų | 107.8 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 175.4 | -90.8 | -175.4 | -89.2 | -176 | -12.4 | 112.7 | Q586 Q587 Q588 Q592 Q593 Q594 | Q586-R590 WeakPolarHBondContact O-CB 3.49Å; Q586-R590 PolarHBondContact O-N 3.04Å; Q586-R590 VanDerWaalsContact O-N 3.08Å; Q587-R590 PolarHBondContact O-N 2.86Å; Q588-R590 VanDerWaalsContact C-N 3.33Å; Q588-R590 PolarHBondContact O-N 3.1Å; R590-Q592 VanDerWaalsContact C-N 3.34Å; R590-Q592 PolarHBondContact O-N 3.04Å; R590-Q593 PolarHBondContact O-N 2.95Å; R590-Q594 VanDerWaalsContact O-CB 3.25Å; R590-Q594 WeakPolarHBondContact O-CB 3.13Å; R590-Q594 PolarHBondContact O-N 3Å |
| 591 | Q | 74.8 | Confident | 70.7 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 58% | 0.575 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 176.2 | -74.9 | -179.8 | -10.7 | 0 | 0 | 111.9 | Q587 Q588 Q594 Q595 | Q587-Q591 WeakPolarHBondContact O-CG 3.43Å; Q587-Q591 PolarHBondContact O-N 3.43Å; Q588-Q591 PolarHBondContact O-N 2.73Å; Q591-Q594 PolarHBondContact O-N 3.28Å; Q591-Q595 WeakPolarHBondContact O-CG 3.38Å; Q591-Q595 PolarHBondContact O-N 3.39Å |
| 592 | Q | 76.6 | Confident | 71.5 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 178.9 | -164.5 | 173.5 | 40.2 | 0 | 0 | 112.2 | Q588 I589 R590 Q594 Q595 Q596 | Q588-Q592 WeakPolarHBondContact O-CB 3.41Å; Q588-Q592 PolarHBondContact O-N 3.02Å; I589-Q592 PolarHBondContact O-N 3.31Å; R590-Q592 VanDerWaalsContact C-N 3.34Å; R590-Q592 PolarHBondContact O-N 3.04Å; Q592-Q594 VanDerWaalsContact C-N 3.34Å; Q592-Q595 PolarHBondContact O-N 3.32Å; Q592-Q596 WeakPolarHBondContact O-CG 3.47Å; Q592-Q596 PolarHBondContact O-N 2.88Å |
| 593 | Q | 77.5 | Confident | 71.9 | Confident | 118 Ų | 118 | 96.2 Ų | 96.2 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 172.3 | -75.3 | 177.9 | -16.5 | 0 | 0 | 112.1 | I589 R590 Q596 A597 | I589-Q593 HydrophobicContact CG2-CG 4.46Å; I589-Q593 WeakPolarHBondContact O-CB 3.45Å; I589-Q593 WeakPolarHBondContact O-CG 3.39Å; I589-Q593 PolarHBondContact O-N 3.48Å; R590-Q593 PolarHBondContact O-N 2.95Å; Q593-Q596 PolarHBondContact O-N 2.76Å; Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.46Å |
| 594 | Q | 76.3 | Confident | 71.9 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 179.4 | -163.5 | 165.9 | 11.1 | 0 | 0 | 111.4 | R590 Q591 Q592 A597 T598 | R590-Q594 VanDerWaalsContact O-CB 3.25Å; R590-Q594 WeakPolarHBondContact O-CB 3.13Å; R590-Q594 PolarHBondContact O-N 3Å; Q591-Q594 PolarHBondContact O-N 3.28Å; Q592-Q594 VanDerWaalsContact C-N 3.34Å; Q594-A597 PolarHBondContact O-N 2.96Å; Q594-T598 PolarHBondContact O-N 3.17Å; Q594-T598 PolarHBondContact O-OG1 3.37Å; Q594-T598 VanDerWaalsContact O-OG1 3.04Å |
| 595 | Q | 73.7 | Confident | 71.9 | Confident | 138 Ų | 138 | 93.2 Ų | 93.2 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 170.9 | -74 | 174.9 | -6.8 | 0 | 0 | 112.4 | Q591 Q592 T598 A599 | Q591-Q595 WeakPolarHBondContact O-CG 3.38Å; Q591-Q595 PolarHBondContact O-N 3.39Å; Q592-Q595 PolarHBondContact O-N 3.32Å; Q595-T598 PolarHBondContact O-N 2.96Å; Q595-A599 WeakPolarHBondContact O-CB 3.47Å; Q595-A599 PolarHBondContact O-N 2.87Å |
| 596 | Q | 74.8 | Confident | 71.9 | Confident | 127 Ų | 127 | 94.3 Ų | 94.3 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 175.9 | -74.9 | 175.3 | -12.2 | 0 | 0 | 112.1 | Q592 Q593 A599 A600 | Q592-Q596 WeakPolarHBondContact O-CG 3.47Å; Q592-Q596 PolarHBondContact O-N 2.88Å; Q593-Q596 PolarHBondContact O-N 2.76Å; Q596-A599 PolarHBondContact O-N 2.74Å; Q596-A600 WeakPolarHBondContact O-CB 3.23Å; Q596-A600 PolarHBondContact O-N 3.26Å |
| 597 | A | 70.3 | Confident | 71.4 | Confident | 59 Ų | 59 | 92.2 Ų | 92.2 | 49% | 0.488 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q593 Q594 A600 A601 | Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.46Å; Q594-A597 PolarHBondContact O-N 2.96Å; A597-A600 PolarHBondContact O-N 3.26Å; A597-A601 WeakPolarHBondContact O-CB 3.48Å; A597-A601 PolarHBondContact O-N 2.89Å |
| 598 | T | 73.8 | Confident | 71 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 58% | 0.577 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 175 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | Q594 Q595 A601 A602 | Q594-T598 PolarHBondContact O-N 3.17Å; Q594-T598 PolarHBondContact O-OG1 3.37Å; Q594-T598 VanDerWaalsContact O-OG1 3.04Å; Q595-T598 PolarHBondContact O-N 2.96Å; T598-A601 PolarHBondContact O-N 3.4Å; T598-A602 WeakPolarHBondContact O-CB 3.28Å; T598-A602 PolarHBondContact O-N 3.24Å |
| 599 | A | 69.5 | Low | 70.5 | Confident | 63 Ų | 63 | 86.4 Ų | 86.4 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q595 Q596 A602 A603 | Q595-A599 WeakPolarHBondContact O-CB 3.47Å; Q595-A599 PolarHBondContact O-N 2.87Å; Q596-A599 PolarHBondContact O-N 2.74Å; A599-A602 PolarHBondContact O-N 3.3Å; A599-A603 WeakPolarHBondContact O-CB 3.14Å; A599-A603 PolarHBondContact O-N 2.89Å |
| 600 | A | 68.2 | Low | 70.1 | Confident | 59 Ų | 59 | 84.6 Ų | 84.6 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q596 A597 A603 A604 | Q596-A600 WeakPolarHBondContact O-CB 3.23Å; Q596-A600 PolarHBondContact O-N 3.26Å; A597-A600 PolarHBondContact O-N 3.26Å; A600-A603 PolarHBondContact O-N 3.34Å; A600-A604 WeakPolarHBondContact O-CB 3.41Å; A600-A604 PolarHBondContact O-N 3.17Å |
| 601 | A | 70.8 | Confident | 69.5 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 51% | 0.512 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A597 T598 A604 A605 | A597-A601 WeakPolarHBondContact O-CB 3.48Å; A597-A601 PolarHBondContact O-N 2.89Å; T598-A601 PolarHBondContact O-N 3.4Å; A601-A604 PolarHBondContact O-N 3.25Å; A601-A605 WeakPolarHBondContact O-CB 3.34Å; A601-A605 PolarHBondContact O-N 3.04Å |
| 602 | A | 71.2 | Confident | 68.5 | Low | 61 Ų | 61 | 79.7 Ų | 79.7 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T598 A599 A605 A606 | T598-A602 WeakPolarHBondContact O-CB 3.28Å; T598-A602 PolarHBondContact O-N 3.24Å; A599-A602 PolarHBondContact O-N 3.3Å; A602-A605 PolarHBondContact O-N 2.7Å; A602-A606 WeakPolarHBondContact O-CB 3.01Å; A602-A606 PolarHBondContact O-N 3.45Å |
| 603 | A | 68.8 | Low | 67.4 | Low | 62 Ų | 62 | 77.4 Ų | 77.4 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A599 A600 A606 A607 | A599-A603 WeakPolarHBondContact O-CB 3.14Å; A599-A603 PolarHBondContact O-N 2.89Å; A600-A603 PolarHBondContact O-N 3.34Å; A603-A606 PolarHBondContact O-N 3.1Å; A603-A607 WeakPolarHBondContact O-CB 3.29Å; A603-A607 PolarHBondContact O-N 3.42Å |
| 604 | A | 66.7 | Low | 65.8 | Low | 55 Ų | 55 | 78.3 Ų | 78.3 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A600 A601 A607 A608 | A600-A604 WeakPolarHBondContact O-CB 3.41Å; A600-A604 PolarHBondContact O-N 3.17Å; A601-A604 PolarHBondContact O-N 3.25Å; A604-A607 PolarHBondContact O-N 2.81Å; A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.37Å; A604-A608 PolarHBondContact O-N 2.64Å |
| 605 | A | 69.2 | Low | 64.2 | Low | 62 Ų | 62 | 79.3 Ų | 79.3 | 51% | 0.512 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A601 A602 A608 A609 | A601-A605 WeakPolarHBondContact O-CB 3.34Å; A601-A605 PolarHBondContact O-N 3.04Å; A602-A605 PolarHBondContact O-N 2.7Å; A605-A608 PolarHBondContact O-N 3.15Å; A605-A609 WeakPolarHBondContact O-CB 3.37Å; A605-A609 PolarHBondContact O-N 2.88Å |
| 606 | A | 68.4 | Low | 62.3 | Low | 63 Ų | 63 | 78 Ų | 78 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A602 A603 A609 A610 | A602-A606 WeakPolarHBondContact O-CB 3.01Å; A602-A606 PolarHBondContact O-N 3.45Å; A603-A606 PolarHBondContact O-N 3.1Å; A606-A609 PolarHBondContact O-N 2.96Å; A606-A610 WeakPolarHBondContact O-CB 3.41Å; A606-A610 PolarHBondContact O-N 3.25Å |
| 607 | A | 61.8 | Low | 60.3 | Low | 55 Ų | 55 | 77 Ų | 77 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A603 A604 A610 M611 | A603-A607 WeakPolarHBondContact O-CB 3.29Å; A603-A607 PolarHBondContact O-N 3.42Å; A604-A607 PolarHBondContact O-N 2.81Å; A607-A610 PolarHBondContact O-N 2.99Å; A607-M611 WeakPolarHBondContact O-CB 3.24Å; A607-M611 WeakPolarHBondContact O-CG 3.4Å; A607-M611 PolarHBondContact O-N 3.11Å |
| 608 | A | 63.2 | Low | 58.4 | Low | 59 Ų | 59 | 78 Ų | 78 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A604 A605 M611 A612 | A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.37Å; A604-A608 PolarHBondContact O-N 2.64Å; A605-A608 PolarHBondContact O-N 3.15Å; A608-M611 PolarHBondContact O-N 3.31Å; A608-A612 VanDerWaalsContact O-CB 3.32Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 2.81Å |
| 609 | A | 63.1 | Low | 56.3 | Low | 62 Ų | 62 | 83.7 Ų | 83.7 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A605 A606 A612 A613 | A605-A609 WeakPolarHBondContact O-CB 3.37Å; A605-A609 PolarHBondContact O-N 2.88Å; A606-A609 PolarHBondContact O-N 2.96Å; A609-A612 PolarHBondContact O-N 3.43Å; A609-A613 WeakPolarHBondContact O-CB 3.47Å; A609-A613 PolarHBondContact O-N 3.35Å |
| 610 | A | 62.1 | Low | 54.4 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A606 A607 A613 L614 | A606-A610 WeakPolarHBondContact O-CB 3.41Å; A606-A610 PolarHBondContact O-N 3.25Å; A607-A610 PolarHBondContact O-N 2.99Å; A610-A613 PolarHBondContact O-N 3.02Å; A610-L614 WeakPolarHBondContact O-CG 3.36Å; A610-L614 PolarHBondContact O-N 3.33Å |
| 611 | M | 59.1 | Low | 52.6 | Low | 122 Ų | 122 | 89.2 Ų | 89.2 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.9 | -37.6 | 175.6 | -69.1 | -123.5 | -76.9 | 0 | 0 | 112.2 | A607 A608 L614 Q615 | A607-M611 WeakPolarHBondContact O-CB 3.24Å; A607-M611 WeakPolarHBondContact O-CG 3.4Å; A607-M611 PolarHBondContact O-N 3.11Å; A608-M611 PolarHBondContact O-N 3.31Å; M611-L614 PolarHBondContact O-N 2.95Å; M611-Q615 WeakPolarHBondContact O-CB 3.44Å; M611-Q615 WeakPolarHBondContact O-CG 3.36Å; M611-Q615 PolarHBondContact O-N 3.32Å |
| 612 | A | 53.9 | Low | 50.7 | Low | 46 Ų | 46 | 91.9 Ų | 91.9 | 38% | 0.38 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63 | -43.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A608 A609 L614 Q615 C616 | A608-A612 VanDerWaalsContact O-CB 3.32Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 2.81Å; A609-A612 PolarHBondContact O-N 3.43Å; A612-L614 VanDerWaalsContact C-N 3.27Å; A612-L614 PolarHBondContact O-N 2.99Å; A612-Q615 PolarHBondContact O-N 2.84Å; A612-C616 WeakPolarHBondContact O-CB 3.21Å; A612-C616 PolarHBondContact O-N 3.16Å; A612-C616 PolarHBondContact O-SG 2.94Å |
| 613 | A | 52.2 | Low | 48.7 | Very low | 72 Ų | 72 | 95.2 Ų | 95.2 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.1 | -34 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A609 A610 | A609-A613 WeakPolarHBondContact O-CB 3.47Å; A609-A613 PolarHBondContact O-N 3.35Å; A610-A613 PolarHBondContact O-N 3.02Å |
| 614 | L | 44.3 | Very low | 46.8 | Very low | 137 Ų | 137 | 99.2 Ų | 99.2 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.8 | -34.2 | 174.3 | -72.3 | 166 | 0 | 0 | 0 | 113.1 | A610 M611 A612 | A610-L614 WeakPolarHBondContact O-CG 3.36Å; A610-L614 PolarHBondContact O-N 3.33Å; M611-L614 PolarHBondContact O-N 2.95Å; A612-L614 VanDerWaalsContact C-N 3.27Å; A612-L614 PolarHBondContact O-N 2.99Å |
| 615 | Q | 43.8 | Very low | 45 | Very low | 156 Ų | 156 | 101.5 Ų | 101.5 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.4 | -25.6 | 179.9 | -74.1 | -178.1 | -24.5 | 0 | 0 | 113.8 | M611 A612 S617 | M611-Q615 WeakPolarHBondContact O-CB 3.44Å; M611-Q615 WeakPolarHBondContact O-CG 3.36Å; M611-Q615 PolarHBondContact O-N 3.32Å; A612-Q615 PolarHBondContact O-N 2.84Å; Q615-S617 PolarHBondContact O-N 2.78Å |
| 616 | C | 33.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 106.5 Ų | 106.5 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -0.3 | 176.6 | -73 | 0 | 0 | 0 | 0 | 114.5 | A612 | A612-C616 WeakPolarHBondContact O-CB 3.21Å; A612-C616 PolarHBondContact O-N 3.16Å; A612-C616 PolarHBondContact O-SG 2.94Å |
| 617 | S | 32.9 | Very low | 41 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 9.5 | -174.3 | -166.9 | 0 | 0 | 0 | 0 | 115.2 | Q615 | Q615-S617 PolarHBondContact O-N 2.78Š|
| 618 | A | 30.4 | Very low | 39.2 | Very low | 80 Ų | 80 | 114.4 Ų | 114.4 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -149 | 67.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 619 | K | 28.2 | Very low | 37.4 | Very low | 214 Ų | 214 | 118.3 Ų | 118.3 | 93% | 0.93 | 69% | 0.692 | S | S | * | * | trans | -161.4 | 48.4 | 173.2 | -117.3 | 159.2 | -170.8 | 176.3 | 0 | 117.4 | ||||
| 620 | S | 29.9 | Very low | 35.6 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | trans | -169 | 152.4 | 164.1 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 621 | S | 31.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | cis | -145.4 | -177.6 | -5.8 | 51 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 622 | T | 30.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -99.2 | 169.8 | -169.3 | 48.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 623 | N | 28.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | 97.3 | 115.3 | 144.2 | -72.3 | -17.4 | 0 | 0 | 0 | 123.3 | ||||
| 624 | I | 28.9 | Very low | 30.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 75.5 | 139.4 | 130.2 | -57.2 | 166 | 0 | 0 | 0 | 117.6 | ||||
| 625 | P | 29.8 | Very low | 29.7 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -144.9 | 168.7 | -41.6 | 43.8 | -23.7 | 0 | 0 | 0 | 116.7 | ||||
| 626 | L | 25.9 | Very low | 28.9 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | trans | 37.8 | 119.2 | 140.7 | -72.3 | 171.5 | 0 | 0 | 0 | 124.8 | ||||
| 627 | N | 26.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | 105.2 | 151.4 | 119.7 | -160.9 | 27.1 | 0 | 0 | 0 | 121.3 | |||||
| 628 | M | 25.2 | Very low | 28.8 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | 72 | 147.4 | 170.7 | -66.9 | -170.2 | 178.1 | 0 | 0 | 119.2 | ||||
| 629 | Q | 25.2 | Very low | 28.9 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | cis | -170.7 | 153.9 | -35.1 | -141.5 | -178.3 | -10.7 | 0 | 0 | 109.6 | ||||
| 630 | R | 25 | Very low | 29 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | 67.8 | 156.8 | 162.9 | -62.3 | 174.9 | 170.6 | -177.5 | -2 | 116.8 | ||||
| 631 | Q | 25.4 | Very low | 29.1 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | cis | -155.2 | 155.9 | -21.9 | -115.8 | 164.4 | -45.3 | 0 | 0 | 110.3 | ||||
| 632 | V | 32.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -72.5 | 170.5 | 167.7 | -144.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 633 | P | 32.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | -163 | 163.8 | 91 | 43.3 | -23.4 | 0 | 0 | 0 | 120.5 | |||||
| 634 | F | 27.8 | Very low | 29.4 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 79% | 0.789 | 73% | 0.727 | S | S | * | * | trans | 64.6 | 152.8 | 140.3 | -66.3 | -27.2 | 0 | 0 | 0 | 121.4 | ||||
| 635 | L | 28.6 | Very low | 29.5 | Very low | 122 Ų | 122 | 134 Ų | 134 | 64% | 0.639 | 73% | 0.728 | S | S | * | * | cis | -156.5 | -169 | -5.4 | -110.4 | 163.4 | 0 | 0 | 0 | 107.1 | ||||
| 636 | F | 28.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.772 | 73% | 0.726 | S | S | * | * | cis | -155.4 | 126.9 | 15.4 | -147.2 | -62.6 | 0 | 0 | 0 | 113.9 | ||||
| 637 | G | 30.5 | Very low | 29.7 | Very low | 61 Ų | 61 | 137.5 Ų | 137.5 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | 81.1 | 156.4 | 151 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 638 | S | 32.8 | Very low | 29.9 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | cis | -170.6 | 157.3 | -5.3 | -92.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 639 | S | 33.3 | Very low | 30.6 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | cis | -169.8 | -177.2 | -17.1 | 59.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 640 | N | 29.7 | Very low | 30.8 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | cis | -158.1 | 164.9 | 7.5 | -165.4 | 5.2 | 0 | 0 | 0 | 109.6 | ||||
| 641 | S | 33.3 | Very low | 31.2 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | 64.9 | -179.1 | 168.9 | 93.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 642 | S | 33.4 | Very low | 31.5 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -166.8 | 168.3 | -21.1 | 36.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 643 | N | 33.6 | Very low | 31.3 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -165.8 | 150.8 | -28.5 | -95.6 | -9.3 | 0 | 0 | 0 | 107.6 | ||||
| 644 | M | 29.9 | Very low | 31.1 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | cis | -168.9 | 168.8 | -25.1 | -143.9 | -169 | -176 | 0 | 0 | 109.7 | ||||
| 645 | I | 30.2 | Very low | 31.3 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | 78.2 | 147 | 154.9 | -63.5 | 154.4 | 0 | 0 | 0 | 119.3 | ||||
| 646 | Q | 30 | Very low | 31.2 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 64% | 0.64 | 74% | 0.739 | S | S | * | * | -173.4 | 163 | -58.3 | -131.1 | -169.1 | 8.3 | 0 | 0 | 111.9 | |||||
| 647 | R | 28.9 | Very low | 31.3 | Very low | 206 Ų | 206 | 133.5 Ų | 133.5 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | trans | 74 | 151.4 | 155.5 | -68.1 | 163.7 | -160 | -157 | 4 | 118.8 | ||||
| 648 | N | 31.3 | Very low | 31.3 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | cis | -164.3 | 155.2 | -24.5 | -117.1 | 17.7 | 0 | 0 | 0 | 111.3 | ||||
| 649 | P | 39.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -123.3 | 169.8 | 173.9 | 41.8 | -31.6 | 0 | 0 | 0 | 115.4 | ||||
| 650 | A | 30.9 | Very low | 30.8 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -177.5 | 161.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 651 | Q | 32.7 | Very low | 30.8 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 77.8 | 144.7 | 158.7 | -55.9 | -156.8 | -0.6 | 0 | 0 | 119.3 | ||||
| 652 | L | 30.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 71% | 0.707 | 77% | 0.766 | S | S | * | * | cis | -156.5 | 176.7 | -2.8 | -118.2 | 173.3 | 0 | 0 | 0 | 113.9 | ||||
| 653 | R | 28.6 | Very low | 30 | Very low | 225 Ų | 225 | 141.5 Ų | 141.5 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | trans | -44.9 | 175.2 | 178.2 | -75 | 174.1 | -179.5 | -170.7 | -1.3 | 119.3 | ||||
| 654 | S | 30.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | 176.2 | -170.3 | -25.5 | 70.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 655 | S | 30.5 | Very low | 29.5 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | cis | -178 | 162.9 | -3.8 | 33.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 656 | Y | 28.1 | Very low | 29.1 | Very low | 223 Ų | 223 | 142.5 Ų | 142.5 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | 72.4 | 156.7 | 167.6 | -64.2 | -71 | 0 | 0 | 0 | 118.4 | ||||
| 657 | S | 29 | Very low | 28.9 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -150 | -174.5 | -4 | -150.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 658 | S | 30.3 | Very low | 28.7 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 162.5 | -174.6 | 55.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 659 | G | 28.8 | Very low | 28.5 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 177.1 | 109.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 660 | D | 27.6 | Very low | 27.8 | Very low | 175 Ų | 175 | 141 Ų | 141 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | 50.5 | 168.1 | 146.5 | -65.4 | 0.8 | 0 | 0 | 0 | 125 | ||||
| 661 | E | 28.6 | Very low | 27.5 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -90 | 167.5 | -169.5 | -58.1 | -171.8 | 120.3 | 0 | 0 | 115.3 | ||||
| 662 | S | 25.9 | Very low | 27.2 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 80.8 | 144.6 | 155 | -163.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 663 | S | 25.4 | Very low | 27 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 65.2 | 76 | 155.9 | -59.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 664 | A | 27 | Very low | 26.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -150.9 | 69 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 665 | M | 24.6 | Very low | 26.6 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -89 | 123.4 | 164.4 | -172.3 | -133.4 | -69.2 | 0 | 0 | 109.6 | ||||
| 666 | R | 23.5 | Very low | 26.6 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | 159.9 | 139.4 | 129.6 | -89.6 | 168.7 | -168.8 | -158.1 | 2.3 | 116.9 | |||||
| 667 | I | 24.6 | Very low | 26.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | 65.1 | 113.4 | 140.9 | -60.7 | 163 | 0 | 0 | 0 | 118.7 | ||||
| 668 | M | 25.3 | Very low | 26 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | -149 | 89.6 | 118.6 | -132.3 | 170.1 | -78 | 0 | 0 | 113.4 | |||||
| 669 | N | 26.7 | Very low | 25.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | 14.3 | 120.1 | 152.8 | -164.7 | 24.3 | 0 | 0 | 0 | 121.1 | ||||
| 670 | P | 24.7 | Very low | 25.5 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -104 | 81 | 171.9 | 38 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 671 | A | 23.9 | Very low | 25.3 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | trans | -158.8 | 84.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 672 | S | 26.7 | Very low | 24.9 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -165.2 | 142.1 | 160.6 | 52.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 673 | L | 26.1 | Very low | 24.8 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 58.8 | 103.1 | 165.9 | -54.6 | 169.8 | 0 | 0 | 0 | 116.1 | ||||
| 674 | V | 25.3 | Very low | 24.8 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | 73.6 | 108.7 | 53.6 | -171.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 675 | T | 25.8 | Very low | 24.8 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -14.2 | 168.9 | 149.8 | 14.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 676 | P | 30.7 | Very low | 25.3 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -143.1 | -152.3 | 10.6 | 39.6 | -15.9 | 0 | 0 | 0 | 116.5 | ||||
| 677 | M | 23.4 | Very low | 25.5 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 87.8 | 123.8 | 172.2 | -53.6 | -165.5 | 178.8 | 0 | 0 | 115.7 | ||||
| 678 | K | 22.1 | Very low | 25.7 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | cis | 73.9 | 121.1 | 31.4 | -76.1 | -167.9 | 172.3 | -179.4 | 0 | 116.9 | ||||
| 679 | T | 23.6 | Very low | 25.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | 119.6 | 145.7 | 144.2 | -44.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 680 | L | 24.3 | Very low | 25.8 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 89.1 | 144.4 | 173.1 | -54 | 174.8 | 0 | 0 | 0 | 117.4 | ||||
| 681 | R | 22.2 | Very low | 26 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | 170.2 | 131 | -51.3 | -108.8 | -169.5 | 168.2 | 176.1 | -1.5 | 108.9 | |||||
| 682 | R | 22 | Very low | 26.1 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 68% | 0.683 | 76% | 0.758 | S | S | * | * | trans | 82.9 | 155.1 | 145.4 | -68.9 | 176.2 | 167.7 | 176.5 | -7.5 | 122.6 | ||||
| 683 | F | 23.5 | Very low | 26.2 | Very low | 179 Ų | 179 | 144 Ų | 144 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 79.7 | 137.2 | 165.3 | -47.8 | -65 | 0 | 0 | 0 | 116.5 | ||||
| 684 | C | 25.8 | Very low | 26.3 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | cis | -154.8 | -178.8 | -5.6 | -122 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 685 | T | 25.6 | Very low | 26.2 | Very low | 136 Ų | 136 | 144 Ų | 144 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -122.2 | 173.5 | -165 | 42.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 686 | P | 35.3 | Very low | 26.3 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -116.2 | -173.3 | -167 | 44.1 | -34.4 | 0 | 0 | 0 | 116.6 | ||||
| 687 | D | 28.7 | Very low | 26.1 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -147.3 | 138 | -174.5 | -89.9 | -55.8 | 0 | 0 | 0 | 116.9 | ||||
| 688 | M | 27.5 | Very low | 26.2 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | trans | 63.6 | 168.2 | 144.1 | -56.1 | -52.7 | 156.7 | 0 | 0 | 121 | ||||
| 689 | N | 27.1 | Very low | 26.3 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | cis | -170.2 | 173.9 | -9.6 | -110.7 | -4.2 | 0 | 0 | 0 | 109.6 | ||||
| 690 | I | 27.7 | Very low | 26.3 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | cis | -173.6 | 162.4 | -28.1 | -142.9 | -170.4 | 0 | 0 | 0 | 112.4 | ||||
| 691 | N | 28.1 | Very low | 26.4 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | 57 | 151.9 | 160.6 | -72 | 32.1 | 0 | 0 | 0 | 124.2 | ||||
| 692 | E | 27.6 | Very low | 26.7 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | cis | -171.1 | 165.3 | -19.9 | -112.5 | -176.1 | 149.7 | 0 | 0 | 114.5 | ||||
| 693 | S | 27.7 | Very low | 26.8 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 78.2 | 169.6 | 160 | 83.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 694 | N | 27.7 | Very low | 26.9 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | -178.8 | 170 | -31 | -89.7 | -11.8 | 0 | 0 | 0 | 110.1 | ||||
| 695 | L | 24.8 | Very low | 27.2 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | cis | -170.9 | 158.8 | -30.3 | -102 | 173.8 | 0 | 0 | 0 | 113.8 | ||||
| 696 | S | 26.7 | Very low | 27.2 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | trans | 78.8 | 115.2 | 145.9 | -68.5 | 0 | 0 | 0 | 0 | 128.4 | ||||
| 697 | Q | 27.4 | Very low | 26.7 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | 77.7 | 163.3 | 124.3 | -65.9 | -144.7 | 78.7 | 0 | 0 | 124.9 | |||||
| 698 | T | 25.1 | Very low | 26.6 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -177.3 | 148.5 | -26.1 | -80.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 699 | L | 23.2 | Very low | 26.5 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | 84.9 | 148 | 153.2 | -90 | 173.4 | 0 | 0 | 0 | 128.9 | ||||
| 700 | L | 25.2 | Very low | 26.4 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 101.5 | 155.8 | 146.3 | -83 | 166 | 0 | 0 | 0 | 125.5 | ||||
| 701 | L | 25.6 | Very low | 26.4 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -135.3 | 160.1 | -167.6 | -122.7 | 89.9 | 0 | 0 | 0 | 111.4 | ||||
| 702 | P | 27.5 | Very low | 26.4 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | -163.9 | 151 | 95 | 41.7 | -20.2 | 0 | 0 | 0 | 121.6 | |||||
| 703 | Q | 25 | Very low | 26.5 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 46.5 | 129.9 | 131.7 | -63.9 | -167.5 | -1.3 | 0 | 0 | 128.6 | ||||
| 704 | Q | 25.6 | Very low | 26.7 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | 92.1 | 154.4 | 129.1 | -77.6 | -160.6 | -8.2 | 0 | 0 | 124.9 | |||||
| 705 | P | 32.1 | Very low | 26.6 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -132 | -169.5 | -158.2 | 46.3 | -29.8 | 0 | 0 | 0 | 115.6 | ||||
| 706 | L | 24.8 | Very low | 26.9 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | -174.8 | 147.7 | 139.1 | -125.4 | 67.8 | 0 | 0 | 0 | 114.6 | ||||
| 707 | N | 25.6 | Very low | 27.3 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | 56.4 | 150.6 | 148.4 | -66.7 | -2.5 | 0 | 0 | 0 | 121 | ||||
| 708 | T | 25.7 | Very low | 27.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | cis | -165.8 | -175.3 | -7.3 | 21.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 709 | M | 26.2 | Very low | 28 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | cis | -149.8 | -138.3 | 7.7 | -141.3 | -35.7 | -177.8 | 0 | 0 | 111.6 | ||||
| 710 | S | 25 | Very low | 28.8 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | trans | -88.6 | 179.4 | -179.8 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 711 | E | 28.3 | Very low | 29.5 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | cis | -151.7 | 178.9 | 19.8 | -156.9 | 153 | -123.3 | 0 | 0 | 113.5 | ||||
| 712 | S | 27.7 | Very low | 30.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -149.2 | 144.3 | -159.1 | 63 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 713 | V | 29.8 | Very low | 30.8 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -138.8 | 137.9 | 161.1 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 714 | P | 30.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 71% | 0.708 | 67% | 0.669 | S | S | * | * | trans | -106.8 | 149.4 | -153.6 | 38.7 | -35.8 | 0 | 0 | 0 | 118.2 | ||||
| 715 | L | 25.9 | Very low | 32.6 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | trans | -85.5 | 104.8 | 167.4 | -73.9 | 155.4 | 0 | 0 | 0 | 111.4 | ||||
| 716 | S | 32.6 | Very low | 33.2 | Very low | 72 Ų | 72 | 118 Ų | 118 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | trans | -138.4 | -27.2 | 179.1 | 63.4 | 0 | 0 | 0 | 0 | 116.7 | N720 | S716-N720 PolarHBondContact O-ND2 3.41Š| ||
| 717 | E | 33.4 | Very low | 34.3 | Very low | 130 Ų | 130 | 116.5 Ų | 116.5 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.3 | -39.5 | 177.8 | -90.3 | -134.7 | 133.1 | 0 | 0 | 114 | N719 N720 K721 | E717-N719 PolarHBondContact O-N 3.09Å; E717-N720 PolarHBondContact O-N 2.87Å; E717-K721 PolarHBondContact O-N 3.07Å; E717-K721 VanDerWaalsContact O-N 3.13Å; E717-K721 IonicContact OE1-NZ 2.7Å; E717-K721 IonicContact OE2-NZ 3.96Å; E717-K721 PolarHBondContact OE2-NZ 2.85Å |
| 718 | Q | 34.4 | Very low | 35.2 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | -177 | -83.8 | -175.3 | -25.3 | 0 | 0 | 111.8 | N720 K721 V722 | Q718-N720 VanDerWaalsContact C-N 3.28Å; Q718-N720 PolarHBondContact O-N 3.28Å; Q718-K721 PolarHBondContact O-N 3.14Å; Q718-K721 VanDerWaalsContact O-N 3.08Å; Q718-V722 WeakPolarHBondContact O-CG2 3.29Å; Q718-V722 PolarHBondContact O-N 2.86Å |
| 719 | N | 33.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.7 | -38.1 | 177.8 | -76.8 | -14 | 0 | 0 | 0 | 112.1 | E717 V722 Q723 | E717-N719 PolarHBondContact O-N 3.09Å; N719-V722 PolarHBondContact O-N 3.19Å; N719-Q723 VanDerWaalsContact O-CB 3.25Å; N719-Q723 WeakPolarHBondContact O-CB 3.46Å; N719-Q723 PolarHBondContact O-N 3.38Å |
| 720 | N | 39.1 | Very low | 36.8 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 44% | 0.444 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -35.7 | 175.5 | -82.2 | -77.9 | 0 | 0 | 0 | 112.9 | S716 E717 Q718 R724 | S716-N720 PolarHBondContact O-ND2 3.41Å; E717-N720 PolarHBondContact O-N 2.87Å; Q718-N720 VanDerWaalsContact C-N 3.28Å; Q718-N720 PolarHBondContact O-N 3.28Å; N720-R724 VanDerWaalsContact O-CG 3.3Å; N720-R724 WeakPolarHBondContact O-CG 3.29Å; N720-R724 PolarHBondContact O-N 2.87Å; N720-R724 VanDerWaalsContact O-N 3.13Å |
| 721 | K | 41.3 | Very low | 37.7 | Very low | 126 Ų | 126 | 109.8 Ų | 109.8 | 55% | 0.548 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.8 | -43.1 | 174.2 | -72.8 | 169.3 | 179.7 | 157.2 | 0 | 111.1 | E717 Q718 A725 | E717-K721 PolarHBondContact O-N 3.07Å; E717-K721 VanDerWaalsContact O-N 3.13Å; E717-K721 IonicContact OE1-NZ 2.7Å; E717-K721 IonicContact OE2-NZ 3.96Å; E717-K721 PolarHBondContact OE2-NZ 2.85Å; Q718-K721 PolarHBondContact O-N 3.14Å; Q718-K721 VanDerWaalsContact O-N 3.08Å; K721-A725 PolarHBondContact O-N 3.35Å; K721-A725 VanDerWaalsContact O-N 3.11Å |
| 722 | V | 41 | Very low | 38.3 | Very low | 85 Ų | 85 | 106.5 Ų | 106.5 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.4 | -50.8 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | Q718 N719 R724 A725 T726 | Q718-V722 WeakPolarHBondContact O-CG2 3.29Å; Q718-V722 PolarHBondContact O-N 2.86Å; N719-V722 PolarHBondContact O-N 3.19Å; V722-R724 VanDerWaalsContact C-N 3.34Å; V722-R724 PolarHBondContact O-N 3.11Å; V722-A725 CarbonylContact O-C 3.57Å; V722-A725 WeakPolarHBondContact O-CA 3.17Å; V722-A725 WeakPolarHBondContact O-CB 3.4Å; V722-A725 PolarHBondContact O-N 2.81Å; V722-T726 PolarHBondContact O-N 3.38Å; V722-T726 PolarHBondContact O-OG1 3.13Å; V722-T726 VanDerWaalsContact O-OG1 3.1Å |
| 723 | Q | 39.3 | Very low | 38.6 | Very low | 115 Ų | 115 | 105.2 Ų | 105.2 | 54% | 0.537 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | -176.7 | -166.5 | 171 | 10.8 | 0 | 0 | 112.2 | N719 T726 Q727 | N719-Q723 VanDerWaalsContact O-CB 3.25Å; N719-Q723 WeakPolarHBondContact O-CB 3.46Å; N719-Q723 PolarHBondContact O-N 3.38Å; Q723-T726 PolarHBondContact O-N 3.37Å; Q723-Q727 WeakPolarHBondContact O-CB 3.32Å; Q723-Q727 PolarHBondContact O-N 3.03Å |
| 724 | R | 46.3 | Very low | 38.9 | Very low | 171 Ų | 171 | 102.5 Ų | 102.5 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -41.2 | 170.6 | -72.8 | 178.4 | -162.6 | 172.3 | 7.7 | 112.5 | N720 V722 Q727 Q728 | N720-R724 VanDerWaalsContact O-CG 3.3Å; N720-R724 WeakPolarHBondContact O-CG 3.29Å; N720-R724 PolarHBondContact O-N 2.87Å; N720-R724 VanDerWaalsContact O-N 3.13Å; V722-R724 VanDerWaalsContact C-N 3.34Å; V722-R724 PolarHBondContact O-N 3.11Å; R724-Q727 PolarHBondContact O-N 2.88Å; R724-Q728 WeakPolarHBondContact O-CB 3.4Å; R724-Q728 WeakPolarHBondContact O-CG 3.37Å; R724-Q728 PolarHBondContact O-N 3.12Å |
| 725 | A | 42.1 | Very low | 39.2 | Very low | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K721 V722 Q728 L729 | K721-A725 PolarHBondContact O-N 3.35Å; K721-A725 VanDerWaalsContact O-N 3.11Å; V722-A725 CarbonylContact O-C 3.57Å; V722-A725 WeakPolarHBondContact O-CA 3.17Å; V722-A725 WeakPolarHBondContact O-CB 3.4Å; V722-A725 PolarHBondContact O-N 2.81Å; A725-Q728 PolarHBondContact O-N 3.15Å; A725-L729 WeakPolarHBondContact O-CB 3.47Å; A725-L729 PolarHBondContact O-N 3.4Å |
| 726 | T | 44.9 | Very low | 39.5 | Very low | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 173 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | V722 Q723 Q728 L729 I730 | V722-T726 PolarHBondContact O-N 3.38Å; V722-T726 PolarHBondContact O-OG1 3.13Å; V722-T726 VanDerWaalsContact O-OG1 3.1Å; Q723-T726 PolarHBondContact O-N 3.37Å; T726-Q728 VanDerWaalsContact C-N 3.35Å; T726-Q728 PolarHBondContact O-N 2.81Å; T726-L729 PolarHBondContact O-N 2.76Å; T726-I730 HydrophobicContact CG2-CD1 3.99Å; T726-I730 WeakPolarHBondContact O-CG1 3.49Å; T726-I730 PolarHBondContact O-N 3.15Å |
| 727 | Q | 46.3 | Very low | 39.7 | Very low | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.9 | -136.7 | 76.4 | 46.6 | 0 | 0 | 111.8 | Q723 R724 T731 | Q723-Q727 WeakPolarHBondContact O-CB 3.32Å; Q723-Q727 PolarHBondContact O-N 3.03Å; R724-Q727 PolarHBondContact O-N 2.88Å; Q727-T731 WeakPolarHBondContact O-CB 3.44Å; Q727-T731 PolarHBondContact O-N 3.36Å; Q727-T731 PolarHBondContact O-OG1 3.12Å |
| 728 | Q | 45 | Very low | 39.6 | Very low | 137 Ų | 137 | 105.8 Ų | 105.8 | 64% | 0.64 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 175 | -76.5 | 179.8 | -15.6 | 0 | 0 | 111.4 | R724 A725 T726 T731 Q732 | R724-Q728 WeakPolarHBondContact O-CB 3.4Å; R724-Q728 WeakPolarHBondContact O-CG 3.37Å; R724-Q728 PolarHBondContact O-N 3.12Å; A725-Q728 PolarHBondContact O-N 3.15Å; T726-Q728 VanDerWaalsContact C-N 3.35Å; T726-Q728 PolarHBondContact O-N 2.81Å; Q728-T731 CarbonylContact O-C 3.52Å; Q728-T731 WeakPolarHBondContact O-CB 3.22Å; Q728-T731 PolarHBondContact O-N 3.39Å; Q728-Q732 WeakPolarHBondContact O-CG 3.48Å; Q728-Q732 PolarHBondContact O-N 3.28Å |
| 729 | L | 39.1 | Very low | 39.4 | Very low | 78 Ų | 78 | 105 Ų | 105 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 179.6 | -156.9 | 158.2 | 0 | 0 | 0 | 111.3 | A725 T726 T731 Q732 L733 A759 | A725-L729 WeakPolarHBondContact O-CB 3.47Å; A725-L729 PolarHBondContact O-N 3.4Å; T726-L729 PolarHBondContact O-N 2.76Å; L729-T731 VanDerWaalsContact C-N 3.33Å; L729-T731 PolarHBondContact O-N 3.11Å; L729-Q732 PolarHBondContact O-N 2.73Å; L729-L733 HydrophobicContact CD2-CD1 3.56Å; L729-L733 HydrophobicContact CD2-CG 3.96Å; L729-L733 WeakPolarHBondContact O-CG 3.42Å; L729-L733 PolarHBondContact O-N 3.36Å; L729-A759 HydrophobicContact CD1-CB 4.23Å |
| 730 | I | 46.5 | Very low | 39.2 | Very low | 73 Ų | 73 | 105.4 Ų | 105.4 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 170.3 | -67.8 | 165.6 | 0 | 0 | 0 | 111 | T726 Q732 L733 N734 | T726-I730 HydrophobicContact CG2-CD1 3.99Å; T726-I730 WeakPolarHBondContact O-CG1 3.49Å; T726-I730 PolarHBondContact O-N 3.15Å; I730-Q732 VanDerWaalsContact C-N 3.3Å; I730-Q732 PolarHBondContact O-N 3.16Å; I730-L733 PolarHBondContact O-N 3.18Å; I730-N734 PolarHBondContact O-N 3.04Å; I730-N734 PolarHBondContact O-OD1 2.99Å |
| 731 | T | 44.3 | Very low | 38.9 | Very low | 76 Ų | 76 | 105.5 Ų | 105.5 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -31.7 | 178.7 | -54.5 | 0 | 0 | 0 | 0 | 112.5 | Q727 Q728 L729 K735 | Q727-T731 WeakPolarHBondContact O-CB 3.44Å; Q727-T731 PolarHBondContact O-N 3.36Å; Q727-T731 PolarHBondContact O-OG1 3.12Å; Q728-T731 CarbonylContact O-C 3.52Å; Q728-T731 WeakPolarHBondContact O-CB 3.22Å; Q728-T731 PolarHBondContact O-N 3.39Å; L729-T731 VanDerWaalsContact C-N 3.33Å; L729-T731 PolarHBondContact O-N 3.11Å; T731-K735 WeakPolarHBondContact O-CG 3.28Å |
| 732 | Q | 39.5 | Very low | 38.4 | Very low | 115 Ų | 115 | 103.1 Ų | 103.1 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.4 | -47.7 | 171.6 | -65.5 | -66.7 | -4.5 | 0 | 0 | 111.1 | Q728 L729 I730 N734 K735 F736 | Q728-Q732 WeakPolarHBondContact O-CG 3.48Å; Q728-Q732 PolarHBondContact O-N 3.28Å; L729-Q732 PolarHBondContact O-N 2.73Å; I730-Q732 VanDerWaalsContact C-N 3.3Å; I730-Q732 PolarHBondContact O-N 3.16Å; Q732-N734 VanDerWaalsContact C-N 3.34Å; Q732-N734 PolarHBondContact O-N 2.78Å; Q732-K735 WeakPolarHBondContact O-CB 3.5Å; Q732-K735 PolarHBondContact O-N 3.44Å; Q732-K735 VanDerWaalsContact O-N 3.1Å; Q732-F736 VanDerWaalsContact O-CD2 3.27Å; Q732-F736 WeakPolarHBondContact O-CD2 3Å; Q732-F736 PolarHBondContact O-N 3.43Å |
| 733 | L | 35.4 | Very low | 37.9 | Very low | 79 Ų | 79 | 102.3 Ų | 102.3 | 41% | 0.414 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 179.2 | -75.5 | 172.7 | 0 | 0 | 0 | 112.6 | L729 I730 K735 F736 | L729-L733 HydrophobicContact CD2-CD1 3.56Å; L729-L733 HydrophobicContact CD2-CG 3.96Å; L729-L733 WeakPolarHBondContact O-CG 3.42Å; L729-L733 PolarHBondContact O-N 3.36Å; I730-L733 PolarHBondContact O-N 3.18Å; L733-K735 VanDerWaalsContact C-N 3.27Å; L733-K735 PolarHBondContact O-N 3.34Å; L733-F736 PolarHBondContact O-N 3.27Å |
| 734 | N | 36.5 | Very low | 37.5 | Very low | 89 Ų | 89 | 103.9 Ų | 103.9 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -35.7 | 178.2 | -69.6 | -1.1 | 0 | 0 | 0 | 111.8 | I730 Q732 F736 Q737 | I730-N734 PolarHBondContact O-N 3.04Å; I730-N734 PolarHBondContact O-OD1 2.99Å; Q732-N734 VanDerWaalsContact C-N 3.34Å; Q732-N734 PolarHBondContact O-N 2.78Å; N734-F736 PolarHBondContact O-N 2.93Å; N734-Q737 PolarHBondContact O-N 3.33Å; N734-Q737 VanDerWaalsContact O-N 3.17Å |
| 735 | K | 35.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 98.9 Ų | 98.9 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.2 | -14.8 | 175.1 | -73 | 179.6 | 176.5 | -176.3 | 0 | 114.5 | T731 Q732 L733 | T731-K735 WeakPolarHBondContact O-CG 3.28Å; Q732-K735 WeakPolarHBondContact O-CB 3.5Å; Q732-K735 PolarHBondContact O-N 3.44Å; Q732-K735 VanDerWaalsContact O-N 3.1Å; L733-K735 VanDerWaalsContact C-N 3.27Å; L733-K735 PolarHBondContact O-N 3.34Å |
| 736 | F | 33.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 102.6 Ų | 102.6 | 40% | 0.395 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -89 | -12.9 | 173.5 | -77.9 | -77 | 0 | 0 | 0 | 113.4 | Q732 L733 N734 L739 L752 | Q732-F736 VanDerWaalsContact O-CD2 3.27Å; Q732-F736 WeakPolarHBondContact O-CD2 3Å; Q732-F736 PolarHBondContact O-N 3.43Å; L733-F736 PolarHBondContact O-N 3.27Å; N734-F736 PolarHBondContact O-N 2.93Å; F736-L739 HydrophobicContact CD1-CD1 3.88Å; F736-L739 HydrophobicContact CE1-CD1 4.37Å; F736-L752 HydrophobicContact CD1-CD1 4.32Å; F736-L752 HydrophobicContact CD1-CD2 4.32Å; F736-L752 HydrophobicContact CD2-CD2 4.36Å; F736-L752 HydrophobicContact CE1-CD1 4.41Å; F736-L752 HydrophobicContact CE1-CD2 4.2Å; F736-L752 HydrophobicContact CE1-CG 4.39Å; F736-L752 HydrophobicContact CE2-CD2 4.25Å; F736-L752 HydrophobicContact CG-CD2 4.41Å; F736-L752 HydrophobicContact CZ-CD2 4.17Å |
| 737 | Q | 35.4 | Very low | 35.9 | Very low | 161 Ų | 161 | 102.4 Ų | 102.4 | 75% | 0.752 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.8 | -26 | 179.6 | -70.3 | -168.3 | -20.6 | 0 | 0 | 113.5 | N734 | N734-Q737 PolarHBondContact O-N 3.33Å; N734-Q737 VanDerWaalsContact O-N 3.17Å |
| 738 | D | 32.1 | Very low | 35.3 | Very low | 145 Ų | 145 | 101.4 Ų | 101.4 | 78% | 0.775 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 0.4 | -176.2 | -60.2 | -44.2 | 0 | 0 | 0 | 114.1 | S740 | D738-S740 PolarHBondContact O-N 3.44Š|
| 739 | L | 30.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 55% | 0.547 | S | S | * | . | trans | -81 | 109.5 | -179.8 | -78.1 | 168.2 | 0 | 0 | 0 | 112 | F736 V741 | F736-L739 HydrophobicContact CD1-CD1 3.88Å; F736-L739 HydrophobicContact CE1-CD1 4.37Å; L739-V741 VanDerWaalsContact C-N 3.31Å; L739-V741 HydrophobicContact CB-CG2 4.41Å; L739-V741 PolarHBondContact O-N 3.25Å | ||
| 740 | S | 29.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 103 Ų | 103 | 83% | 0.825 | 55% | 0.554 | S | S | * | * | trans | -71.7 | 81.2 | 168.5 | 60.1 | 0 | 0 | 0 | 0 | 111 | D738 S742 | D738-S740 PolarHBondContact O-N 3.44Å; S740-S742 PolarHBondContact O-N 3.24Å; S740-S742 VanDerWaalsContact O-N 3.09Å | ||
| 741 | V | 33.2 | Very low | 33.7 | Very low | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.515 | 56% | 0.559 | S | S | . | * | trans | -65.7 | 107.5 | -176 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | L739 D745 | L739-V741 VanDerWaalsContact C-N 3.31Å; L739-V741 HydrophobicContact CB-CG2 4.41Å; L739-V741 PolarHBondContact O-N 3.25Å; V741-D745 HydrophobicContact CG1-CB 4.1Å | ||
| 742 | S | 29.9 | Very low | 33.1 | Very low | 75 Ų | 75 | 101.4 Ų | 101.4 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | trans | -74.6 | 155.1 | 164.2 | 49 | 0 | 0 | 0 | 0 | 111.2 | S740 D744 | S740-S742 PolarHBondContact O-N 3.24Å; S740-S742 VanDerWaalsContact O-N 3.09Å; S742-D744 PolarHBondContact O-N 3.46Å | ||
| 743 | G | 31.1 | Very low | 32.8 | Very low | 68 Ų | 68 | 99.4 Ų | 99.4 | 70% | 0.701 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -3.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | D745 | G743-D745 VanDerWaalsContact C-N 3.34Š|
| 744 | D | 31.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 98.6 Ų | 98.6 | 79% | 0.791 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.8 | -176.5 | -57.7 | -59.7 | 0 | 0 | 0 | 113.8 | S742 Y746 | S742-D744 PolarHBondContact O-N 3.46Å; D744-Y746 VanDerWaalsContact C-N 3.34Å; D744-Y746 PolarHBondContact O-N 2.89Å |
| 745 | D | 34.2 | Very low | 32.4 | Very low | 67 Ų | 67 | 99.2 Ų | 99.2 | 36% | 0.358 | 54% | 0.543 | S | S | . | . | trans | -91.6 | 28.3 | -158.5 | -125.1 | 28 | 0 | 0 | 0 | 115.3 | V741 G743 A747 N748 | V741-D745 HydrophobicContact CG1-CB 4.1Å; G743-D745 VanDerWaalsContact C-N 3.34Å; D745-A747 PolarHBondContact O-N 3.48Å; D745-N748 PolarHBondContact O-N 3.19Å; D745-N748 PolarHBondContact OD1-ND2 3.48Å; D745-N748 VanDerWaalsContact OD1-ND2 3.14Å; D745-N748 PolarHBondContact OD2-ND2 3.42Å | ||
| 746 | Y | 33.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 97.3 Ų | 97.3 | 51% | 0.506 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.9 | -23.4 | -174.9 | -154.9 | -94 | 0 | 0 | 0 | 113.9 | D744 M1134 | D744-Y746 VanDerWaalsContact C-N 3.34Å; D744-Y746 PolarHBondContact O-N 2.89Å; Y746-M1134 HydrophobicContact CE2-CE 4.33Å |
| 747 | A | 32.4 | Very low | 32.2 | Very low | 67 Ų | 67 | 95.1 Ų | 95.1 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -77.7 | -29.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D745 Y749 Q750 | D745-A747 PolarHBondContact O-N 3.48Å; A747-Y749 PolarHBondContact O-N 3.42Å; A747-Q750 PolarHBondContact O-N 3.5Å |
| 748 | N | 32.7 | Very low | 32 | Very low | 88 Ų | 88 | 94.6 Ų | 94.6 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.9 | -27.2 | -174.6 | -81.2 | -19 | 0 | 0 | 0 | 112.7 | D745 Q750 C751 L752 | D745-N748 PolarHBondContact O-N 3.19Å; D745-N748 PolarHBondContact OD1-ND2 3.48Å; D745-N748 VanDerWaalsContact OD1-ND2 3.14Å; D745-N748 PolarHBondContact OD2-ND2 3.42Å; N748-Q750 VanDerWaalsContact C-N 3.35Å; N748-Q750 PolarHBondContact O-N 3.39Å; N748-C751 WeakPolarHBondContact O-CB 3.41Å; N748-C751 PolarHBondContact O-N 2.7Å; N748-L752 PolarHBondContact O-N 3.22Å |
| 749 | Y | 31.9 | Very low | 31.9 | Very low | 128 Ų | 128 | 90.6 Ų | 90.6 | 50% | 0.502 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -34.5 | 171.2 | -92.1 | -88.3 | 0 | 0 | 0 | 113.2 | A747 C751 L752 E753 | A747-Y749 PolarHBondContact O-N 3.42Å; Y749-C751 PolarHBondContact O-N 2.73Å; Y749-L752 PolarHBondContact O-N 3.24Å; Y749-E753 PolarHBondContact O-N 2.99Å |
| 750 | Q | 35 | Very low | 31.9 | Very low | 119 Ų | 119 | 90 Ų | 90 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -30.6 | 175.4 | -62.9 | -176.3 | -22.8 | 0 | 0 | 111.9 | A747 N748 S754 | A747-Q750 PolarHBondContact O-N 3.5Å; N748-Q750 VanDerWaalsContact C-N 3.35Å; N748-Q750 PolarHBondContact O-N 3.39Å; Q750-S754 WeakPolarHBondContact O-CB 3.47Å; Q750-S754 PolarHBondContact O-N 3.19Å; Q750-S754 VanDerWaalsContact O-N 3.16Å; Q750-S754 PolarHBondContact O-OG 2.88Å |
| 751 | C | 31.3 | Very low | 32 | Very low | 71 Ų | 71 | 93.2 Ų | 93.2 | 48% | 0.48 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 173.7 | -164.8 | 0 | 0 | 0 | 0 | 112.2 | N748 Y749 S754 L755 | N748-C751 WeakPolarHBondContact O-CB 3.41Å; N748-C751 PolarHBondContact O-N 2.7Å; Y749-C751 PolarHBondContact O-N 2.73Å; C751-S754 WeakPolarHBondContact O-CB 3.42Å; C751-S754 PolarHBondContact O-N 2.71Å; C751-L755 PolarHBondContact O-N 3.48Å |
| 752 | L | 31.7 | Very low | 31.6 | Very low | 45 Ų | 45 | 97.4 Ų | 97.4 | 24% | 0.236 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 177.9 | -91.4 | 163.7 | 0 | 0 | 0 | 112.9 | F736 N748 Y749 S754 L755 L756 | F736-L752 HydrophobicContact CD1-CD1 4.32Å; F736-L752 HydrophobicContact CD1-CD2 4.32Å; F736-L752 HydrophobicContact CD2-CD2 4.36Å; F736-L752 HydrophobicContact CE1-CD1 4.41Å; F736-L752 HydrophobicContact CE1-CD2 4.2Å; F736-L752 HydrophobicContact CE1-CG 4.39Å; F736-L752 HydrophobicContact CE2-CD2 4.25Å; F736-L752 HydrophobicContact CG-CD2 4.41Å; F736-L752 HydrophobicContact CZ-CD2 4.17Å; N748-L752 PolarHBondContact O-N 3.22Å; Y749-L752 PolarHBondContact O-N 3.24Å; L752-S754 VanDerWaalsContact C-N 3.33Å; L752-L755 PolarHBondContact O-N 2.9Å; L752-L756 WeakPolarHBondContact O-CB 3.46Å; L752-L756 WeakPolarHBondContact O-CG 3.34Å; L752-L756 PolarHBondContact O-N 3.46Å |
| 753 | E | 32.4 | Very low | 31.5 | Very low | 73 Ų | 73 | 99.8 Ų | 99.8 | 34% | 0.341 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.5 | -39.5 | 171.7 | -81.1 | -138.2 | 113 | 0 | 0 | 112.1 | Y749 L755 L756 G757 N947 W1133 | Y749-E753 PolarHBondContact O-N 2.99Å; E753-L755 PolarHBondContact O-N 2.87Å; E753-L756 PolarHBondContact O-N 2.95Å; E753-G757 PolarHBondContact O-N 3.45Å; E753-N947 PolarHBondContact OE2-ND2 3.24Å; E753-W1133 HydrophobicContact CG-CH2 4.36Å; E753-W1133 WeakPolarHBondContact OE1-CH2 3.45Å; E753-W1133 WeakPolarHBondContact OE2-CZ2 3.19Å |
| 754 | S | 33.5 | Very low | 31.3 | Very low | 63 Ų | 63 | 103.9 Ų | 103.9 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -27.9 | 176.5 | -63.5 | 0 | 0 | 0 | 0 | 113.1 | Q750 C751 L752 Q758 | Q750-S754 WeakPolarHBondContact O-CB 3.47Å; Q750-S754 PolarHBondContact O-N 3.19Å; Q750-S754 VanDerWaalsContact O-N 3.16Å; Q750-S754 PolarHBondContact O-OG 2.88Å; C751-S754 WeakPolarHBondContact O-CB 3.42Å; C751-S754 PolarHBondContact O-N 2.71Å; L752-S754 VanDerWaalsContact C-N 3.33Å; S754-Q758 WeakPolarHBondContact O-CG 3.08Å; S754-Q758 PolarHBondContact O-NE2 2.87Å |
| 755 | L | 30 | Very low | 31.2 | Very low | 101 Ų | 101 | 101.2 Ų | 101.2 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -84.3 | -47.7 | 174.8 | -80 | 160.1 | 0 | 0 | 0 | 112.3 | C751 L752 E753 Q758 A759 | C751-L755 PolarHBondContact O-N 3.48Å; L752-L755 PolarHBondContact O-N 2.9Å; E753-L755 PolarHBondContact O-N 2.87Å; L755-Q758 PolarHBondContact O-N 2.92Å; L755-A759 PolarHBondContact O-N 3.12Å |
| 756 | L | 32 | Very low | 31.1 | Very low | 93 Ų | 93 | 104.2 Ų | 104.2 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.1 | -38.1 | -178.6 | -72.5 | 165.4 | 0 | 0 | 0 | 112.3 | L752 E753 Q758 A759 | L752-L756 WeakPolarHBondContact O-CB 3.46Å; L752-L756 WeakPolarHBondContact O-CG 3.34Å; L752-L756 PolarHBondContact O-N 3.46Å; E753-L756 PolarHBondContact O-N 2.95Å; L756-Q758 PolarHBondContact O-N 3.28Å; L756-A759 PolarHBondContact O-N 3.29Å; L756-A759 VanDerWaalsContact O-N 3.09Å |
| 757 | G | 33.1 | Very low | 30.9 | Very low | 44 Ų | 44 | 102.9 Ų | 102.9 | 45% | 0.454 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.2 | -15.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E753 | E753-G757 PolarHBondContact O-N 3.45Å |
| 758 | Q | 31.4 | Very low | 30.7 | Very low | 150 Ų | 150 | 105.1 Ų | 105.1 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -87.2 | -23.6 | 171.3 | -72.7 | -180 | 65.4 | 0 | 0 | 112.7 | S754 L755 L756 | S754-Q758 WeakPolarHBondContact O-CG 3.08Å; S754-Q758 PolarHBondContact O-NE2 2.87Å; L755-Q758 PolarHBondContact O-N 2.92Å; L756-Q758 PolarHBondContact O-N 3.28Å |
| 759 | A | 29.4 | Very low | 30.4 | Very low | 60 Ų | 60 | 106.2 Ų | 106.2 | 50% | 0.496 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -77.1 | -29.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L729 L755 L756 R761 | L729-A759 HydrophobicContact CD1-CB 4.23Å; L755-A759 PolarHBondContact O-N 3.12Å; L756-A759 PolarHBondContact O-N 3.29Å; L756-A759 VanDerWaalsContact O-N 3.09Å; A759-R761 PolarHBondContact O-N 3.5Å |
| 760 | S | 30.9 | Very low | 30.3 | Very low | 98 Ų | 98 | 105.5 Ų | 105.5 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 5.5 | -174.9 | 62.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 761 | R | 30.3 | Very low | 29.7 | Very low | 186 Ų | 186 | 108.2 Ų | 108.2 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | trans | -127.2 | 58.4 | -176.4 | -68.5 | -165.7 | 178.4 | -144.7 | 5.3 | 114.3 | A759 | A759-R761 PolarHBondContact O-N 3.5Š| ||
| 762 | Q | 25 | Very low | 29.5 | Very low | 173 Ų | 173 | 112.6 Ų | 112.6 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | trans | -112.7 | 111.7 | 159.1 | -73.2 | -165.6 | -7.6 | 0 | 0 | 110.9 | ||||
| 763 | P | 29 | Very low | 29.2 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -73 | 126.3 | 164.3 | -7.7 | 24.5 | 0 | 0 | 0 | 109.2 | ||
| 764 | L | 27.2 | Very low | 29 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 80% | 0.801 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 128.3 | 163.7 | -76.2 | 96.8 | 0 | 0 | 0 | 109.1 | ||
| 765 | A | 28.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 138.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 766 | P | 32.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 84% | 0.844 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148.8 | 168.4 | -17.3 | 31.3 | 0 | 0 | 0 | 112 | ||
| 767 | A | 29.9 | Very low | 28.2 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 152.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 768 | P | 27.3 | Very low | 28 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -108.4 | 168.6 | -169.6 | 40.4 | -36 | 0 | 0 | 0 | 116.8 | ||||
| 769 | S | 25.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 74.2 | 155.7 | 162.3 | 68.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 770 | V | 29.8 | Very low | 28 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | cis | -150.2 | 128.5 | 32.5 | 169.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 771 | Q | 24.2 | Very low | 27.9 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 49.8 | 162.4 | 141.7 | -61.5 | 179.6 | -48.9 | 0 | 0 | 128 | ||||
| 772 | M | 26.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 86.5 | 136.8 | 160.4 | -72.5 | -176 | 162.2 | 0 | 0 | 120.4 | ||||
| 773 | E | 25.2 | Very low | 28 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 66% | 0.659 | 76% | 0.762 | S | S | * | * | cis | -169.4 | 161.5 | -24.6 | -142.3 | 177.7 | -131.1 | 0 | 0 | 112.4 | ||||
| 774 | N | 28.1 | Very low | 27.9 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | 72.9 | 149 | 156 | -62.9 | -35.1 | 0 | 0 | 0 | 120.1 | ||||
| 775 | V | 26.7 | Very low | 27.9 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 65% | 0.648 | 76% | 0.759 | S | S | * | * | cis | -169.2 | 148.4 | -8.6 | 114.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 776 | L | 26 | Very low | 27.8 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 59.1 | 153 | 160.6 | -89.6 | 44.7 | 0 | 0 | 0 | 120.9 | ||||
| 777 | C | 25.3 | Very low | 27.5 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | cis | -174.1 | 168.2 | -25.2 | -118.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 778 | T | 29.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 132 Ų | 132 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | 81.6 | 118.4 | 158 | 48.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 779 | D | 26.8 | Very low | 27.2 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -96.9 | -166.6 | 164.5 | -148.3 | 13.7 | 0 | 0 | 0 | 108.4 | ||||
| 780 | P | 34.1 | Very low | 27.1 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | cis | -147.5 | -177.7 | 13.9 | 45.7 | -24.4 | 0 | 0 | 0 | 120.2 | ||||
| 781 | S | 28.7 | Very low | 26.9 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 87.6 | 144.5 | 144.6 | 79.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 782 | G | 29.8 | Very low | 27 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | -176.1 | -10.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 783 | T | 29.2 | Very low | 26.9 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | 53.4 | 128.6 | 168.8 | 50.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 784 | R | 26.5 | Very low | 27 | Very low | 243 Ų | 243 | 134.3 Ų | 134.3 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | trans | 61.7 | 152.4 | 144 | -80.4 | -178.4 | 167.8 | -177.7 | -4.2 | 119.3 | ||||
| 785 | S | 27.3 | Very low | 26.9 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | cis | -165.6 | 148.6 | -3.8 | 43 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 786 | S | 26.6 | Very low | 26.8 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | 49.4 | 132.3 | 148.6 | 59 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 787 | F | 25.8 | Very low | 26.9 | Very low | 201 Ų | 201 | 134 Ų | 134 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -33.2 | 154.8 | 165.1 | -55.8 | -91 | 0 | 0 | 0 | 117.1 | ||||
| 788 | P | 25.6 | Very low | 26.9 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | -121.5 | 164.1 | 110.4 | 36.4 | -34.6 | 0 | 0 | 0 | 113.5 | |||||
| 789 | N | 24 | Very low | 27.1 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -97.8 | 134.6 | 171.8 | -166.4 | 58.9 | 0 | 0 | 0 | 109.3 | ||||
| 790 | E | 25.2 | Very low | 27.2 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 63 | 175.1 | 173.8 | -60.7 | 166.1 | -166.4 | 0 | 0 | 113 | ||||
| 791 | S | 25.5 | Very low | 27 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | cis | -168.7 | 168.5 | 27.6 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 792 | L | 25.4 | Very low | 27 | Very low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | 51.2 | 127.9 | 140.5 | -67.8 | 161.2 | 0 | 0 | 0 | 121.7 | ||||
| 793 | Y | 24.3 | Very low | 27 | Very low | 207 Ų | 207 | 141 Ų | 141 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | S | Bend | -99.1 | 141.1 | 114.4 | -88.8 | -132.9 | 0 | 0 | 0 | 106.5 | |||
| 794 | M | 26.7 | Very low | 27.1 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | cis | -144.5 | 167.2 | 9.5 | -117.2 | -80.2 | 179.8 | 0 | 0 | 112.7 | ||||
| 795 | S | 25.7 | Very low | 27.4 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -39.6 | 167.7 | 173.2 | -48.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 796 | S | 26.3 | Very low | 27.6 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | cis | -165 | 155.8 | 27.2 | 83.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 797 | K | 26.8 | Very low | 27.8 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 63.8 | 148 | 146.6 | -68.6 | 168.3 | -178.1 | 175.2 | 0 | 118.8 | ||||
| 798 | L | 25.7 | Very low | 28.1 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | cis | -155.8 | -164 | -25.6 | -144.3 | 75.1 | 0 | 0 | 0 | 107.4 | ||||
| 799 | P | 33.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | -127.8 | -159.5 | -123.1 | 46 | -27.1 | 0 | 0 | 0 | 116.4 | |||||
| 800 | A | 29.9 | Very low | 28.7 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 66% | 0.661 | 71% | 0.707 | S | S | * | * | trans | 90.7 | 139.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 801 | Q | 29.7 | Very low | 28.9 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | cis | -165.6 | 147.1 | -4.9 | -116 | 168.9 | 0.4 | 0 | 0 | 113.1 | ||||
| 802 | I | 28 | Very low | 29.5 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | 68.8 | 144.9 | 149.5 | -59.9 | 161.2 | 0 | 0 | 0 | 118.9 | ||||
| 803 | L | 29.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | cis | 178.5 | 166.5 | -27.8 | -174.2 | 56.3 | 0 | 0 | 0 | 107.6 | ||||
| 804 | G | 32.6 | Very low | 29.9 | Very low | 60 Ų | 60 | 121.2 Ų | 121.2 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | cis | 163.5 | 173.3 | -7.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 805 | N | 32.6 | Very low | 30 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | cis | -171.9 | 134.7 | -17.2 | -82.9 | -25.9 | 0 | 0 | 0 | 114.7 | ||||
| 806 | T | 29.9 | Very low | 30.2 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | 71 | -175.8 | 157.4 | 67.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 807 | R | 31.6 | Very low | 30.3 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | cis | -167.2 | 162.8 | 15.5 | -142.4 | 162.4 | -164.3 | -87.2 | 3.6 | 116.2 | D494 | D494-R807 VanDerWaalsContact CG-NH1 3.35Å; D494-R807 VanDerWaalsContact OD1-CD 3.27Å; D494-R807 WeakPolarHBondContact OD1-CD 3.48Å; D494-R807 IonicContact OD1-CZ 3.17Å; D494-R807 IonicContact OD1-NE 3.81Å; D494-R807 IonicContact OD1-NH1 3.33Å; D494-R807 PolarHBondContact OD1-NH1 3.49Å; D494-R807 IonicContact OD2-NH1 3.64Å | ||
| 808 | T | 32.1 | Very low | 30.5 | Very low | 65 Ų | 65 | 123.4 Ų | 123.4 | 40% | 0.399 | 74% | 0.739 | S | S | . | * | trans | 75.7 | 167.5 | 159.5 | 69.6 | 0 | 0 | 0 | 0 | 123.8 | D494 P495 G496 | D494-T808 WeakPolarHBondContact OD1-CG2 3.42Å; P495-T808 HydrophobicContact CB-CG2 3.73Å; G496-T808 PolarHBondContact N-OG1 3.09Å | ||
| 809 | S | 30.8 | Very low | 30.5 | Very low | 97 Ų | 97 | 119 Ų | 119 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | cis | -178.1 | 168.3 | -42.1 | -165.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 810 | T | 31.5 | Very low | 30.2 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 73.7 | 155.6 | 164.1 | 65.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 811 | A | 29.7 | Very low | 30 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | cis | -170.8 | 166 | -24.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 812 | P | 37.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -133.8 | -168.5 | -171.7 | 44.4 | -28.7 | 0 | 0 | 0 | 118.3 | ||||
| 813 | T | 28.9 | Very low | 29.8 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 150 | 155.1 | 138.6 | -60.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 814 | S | 30.7 | Very low | 29.7 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | 97.3 | 156.7 | 156.3 | 80.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 815 | L | 26.9 | Very low | 29.2 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | cis | -168.6 | 175.8 | -21.3 | -110.9 | 174 | 0 | 0 | 0 | 115.5 | ||||
| 816 | S | 30.2 | Very low | 29 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | 68.6 | 143.4 | 160.9 | 70.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 817 | G | 29.6 | Very low | 28.9 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | cis | 172.6 | 153.7 | -17.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 818 | Q | 29.5 | Very low | 28.8 | Very low | 204 Ų | 204 | 125.6 Ų | 125.6 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | trans | 71.6 | 155.7 | 166 | -57.1 | -174.3 | -69.8 | 0 | 0 | 122 | ||||
| 819 | A | 25.7 | Very low | 28.4 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | cis | -175.8 | 152.4 | -36.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 820 | E | 26.9 | Very low | 28.4 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | 61.9 | 158.2 | 145.5 | -79.9 | 151.4 | -138.8 | 0 | 0 | 122.9 | ||||
| 821 | L | 26.5 | Very low | 28.3 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | -163.5 | 171.9 | -22.8 | -158.7 | 64.4 | 0 | 0 | 0 | 111 | ||||
| 822 | E | 26.7 | Very low | 28.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 66.3 | 168.7 | 158.8 | -58.2 | -143.8 | 145.1 | 0 | 0 | 122.5 | ||||
| 823 | T | 27 | Very low | 27.9 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | cis | -166.6 | 152.9 | -43 | -79.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 824 | A | 27.1 | Very low | 27.9 | Very low | 78 Ų | 78 | 138 Ų | 138 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | trans | 68.7 | 128.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 825 | Y | 22.9 | Very low | 28.1 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 26.4 | 118.4 | 140.9 | -61.6 | -87 | 0 | 0 | 0 | 122.9 | ||||
| 826 | S | 27.8 | Very low | 28.4 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | -172.4 | 148.1 | 117.5 | 43.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 827 | N | 28.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 37.7 | 110 | 157.5 | -50.2 | -23.4 | 0 | 0 | 0 | 119.1 | ||||
| 828 | L | 27.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | 64.9 | 134.9 | 76.9 | -77.8 | 164.1 | 0 | 0 | 0 | 116.1 | |||||
| 829 | D | 25.1 | Very low | 30.2 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 62 | 90.2 | 168.5 | -64 | -16.9 | 0 | 0 | 0 | 120.4 | ||||
| 830 | S | 30.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 135 Ų | 135 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -166.1 | 121.1 | 117.5 | 32.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 831 | H | 28.8 | Very low | 32.7 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | trans | -79.8 | 130.3 | 173.3 | -79 | -77 | 0 | 0 | 0 | 111.3 | ||||
| 832 | S | 29.8 | Very low | 34.6 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -132.6 | 154.9 | 161.1 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 833 | F | 28.6 | Very low | 37 | Very low | 216 Ų | 216 | 124.7 Ų | 124.7 | 95% | 0.947 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.5 | -165 | -91 | -112.8 | 0 | 0 | 0 | 113.3 | ||
| 834 | G | 29.8 | Very low | 38.9 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -65 | 143.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 835 | T | 34.9 | Very low | 41.6 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 87% | 0.871 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 133.5 | 174.1 | 49.8 | 0 | 0 | 0 | 0 | 112 | K837 | T835-K837 PolarHBondContact O-N 3.25Š|
| 836 | S | 33 | Very low | 44.6 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 124.9 | 178.7 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 837 | K | 36.9 | Very low | 47.3 | Very low | 178 Ų | 178 | 114.3 Ų | 114.3 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 145.1 | 157.9 | -71.4 | -172.6 | 174.9 | -174.4 | 0 | 108.7 | T835 | T835-K837 PolarHBondContact O-N 3.25Š|
| 838 | T | 42.9 | Very low | 50.2 | Low | 89 Ų | 89 | 112 Ų | 112 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 141.2 | 178.6 | 20.5 | 0 | 0 | 0 | 0 | 109.9 | S840 D841 | T838-S840 WeakPolarHBondContact CB-OG 3.24Å; T838-S840 PolarHBondContact O-N 2.73Å; T838-S840 VanDerWaalsContact O-N 3.1Å; T838-D841 PolarHBondContact N-OD2 3.47Å; T838-D841 VanDerWaalsContact O-CB 3.31Å; T838-D841 WeakPolarHBondContact O-CB 3.42Å; T838-D841 PolarHBondContact O-N 3.43Å; T838-D841 VanDerWaalsContact OG1-CG 3.25Å; T838-D841 PolarHBondContact OG1-OD1 3.04Å; T838-D841 PolarHBondContact OG1-OD2 3.42Å |
| 839 | L | 48 | Very low | 53.1 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 36% | 0.361 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -64.4 | -19.2 | -174.1 | -126.3 | 166.5 | 0 | 0 | 0 | 112.6 | D841 R842 F843 Y943 | L839-D841 PolarHBondContact O-N 2.74Å; L839-R842 HydrophobicContact CD2-CG 4.25Å; L839-F843 HydrophobicContact CD2-CE2 3.99Å; L839-F843 WeakPolarHBondContact O-CD2 3.29Å; L839-Y943 HydrophobicContact CD1-CD1 4.49Å; L839-Y943 HydrophobicContact CD1-CE1 4.1Å; L839-Y943 HydrophobicContact CD2-CE1 4.02Å |
| 840 | S | 48.2 | Very low | 56.1 | Low | 71 Ų | 71 | 103.9 Ų | 103.9 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -53.3 | -39.4 | 165.7 | 39 | 0 | 0 | 0 | 0 | 113.2 | T838 R842 F843 | T838-S840 WeakPolarHBondContact CB-OG 3.24Å; T838-S840 PolarHBondContact O-N 2.73Å; T838-S840 VanDerWaalsContact O-N 3.1Å; S840-R842 PolarHBondContact O-N 3.25Å; S840-F843 PolarHBondContact O-N 3.29Å; S840-F843 VanDerWaalsContact O-N 3.14Å |
| 841 | D | 55.2 | Low | 58.9 | Low | 86 Ų | 86 | 98.9 Ų | 98.9 | 46% | 0.46 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -77 | -16.5 | -166.7 | -38.9 | -20.2 | 0 | 0 | 0 | 110.8 | T838 L839 F843 | T838-D841 PolarHBondContact N-OD2 3.47Å; T838-D841 VanDerWaalsContact O-CB 3.31Å; T838-D841 WeakPolarHBondContact O-CB 3.42Å; T838-D841 PolarHBondContact O-N 3.43Å; T838-D841 VanDerWaalsContact OG1-CG 3.25Å; T838-D841 PolarHBondContact OG1-OD1 3.04Å; T838-D841 PolarHBondContact OG1-OD2 3.42Å; L839-D841 PolarHBondContact O-N 2.74Å; D841-F843 PolarHBondContact O-N 3.16Å |
| 842 | R | 67.7 | Low | 61.7 | Low | 140 Ų | 140 | 92.9 Ų | 92.9 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -70 | -18.3 | 172 | -58.4 | -164.7 | -161.9 | 162.4 | 4.1 | 113.4 | L839 S840 E945 | L839-R842 HydrophobicContact CD2-CG 4.25Å; S840-R842 PolarHBondContact O-N 3.25Å; R842-E945 IonicContact NH1-OE1 3.46Å; R842-E945 PolarHBondContact NH1-OE1 3.08Å |
| 843 | F | 77 | Confident | 64.1 | Low | 26 Ų | 26 | 92 Ų | 92 | 11% | 0.114 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -120.8 | 16.7 | -172.1 | -60.8 | -84.2 | 0 | 0 | 0 | 113.5 | L839 S840 D841 D845 F846 I906 A907 Y943 Y1033 | L839-F843 HydrophobicContact CD2-CE2 3.99Å; L839-F843 WeakPolarHBondContact O-CD2 3.29Å; S840-F843 PolarHBondContact O-N 3.29Å; S840-F843 VanDerWaalsContact O-N 3.14Å; D841-F843 PolarHBondContact O-N 3.16Å; F843-D845 PolarHBondContact O-N 3.39Å; F843-F846 HydrophobicContact CB-CD2 4.05Å; F843-F846 HydrophobicContact CB-CE2 4.46Å; F843-F846 AromaticContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CE1 4.25Å; F843-F846 AromaticContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CG 4.36Å; F843-F846 AromaticContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CE1-CE2 4.25Å; F843-F846 HydrophobicContact CE1-CZ 4.12Å; F843-F846 HydrophobicContact CG-CD2 4.45Å; F843-F846 HydrophobicContact CG-CE2 4.41Å; F843-F846 PolarHBondContact O-N 3.39Å; F843-I906 HydrophobicContact CE1-CG2 4.28Å; F843-A907 HydrophobicContact CZ-CB 4.38Å; F843-Y943 HydrophobicContact CE2-CE2 4.12Å; F843-Y943 VanDerWaalsContact CE2-OH 3.22Å; F843-Y943 WeakPolarHBondContact CE2-OH 3.22Å; F843-Y943 HydrophobicContact CZ-CE2 4.5Å; F843-Y943 VanDerWaalsContact CZ-OH 3.26Å; F843-Y943 WeakPolarHBondContact CZ-OH 3.47Å; F843-Y1033 HydrophobicContact CB-CD1 4.18Å; F843-Y1033 HydrophobicContact CB-CE1 3.74Å; F843-Y1033 AromaticContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD1 3.49Å; F843-Y1033 VanDerWaalsContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD2 4.42Å; F843-Y1033 AromaticContact CD1-CE1 3.9Å; F843-Y1033 HydrophobicContact CD1-CE1 3.9Å; F843-Y1033 AromaticContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CE1-CD1 4.13Å; F843-Y1033 HydrophobicContact CE1-CD2 4.41Å; F843-Y1033 AromaticContact CE1-CG 3.93Å; F843-Y1033 HydrophobicContact CE1-CG 3.93Å; F843-Y1033 AromaticContact CG-CD1 3.99Å; F843-Y1033 HydrophobicContact CG-CD1 3.99Å; F843-Y1033 AromaticContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CG 4.46Å |
| 844 | G | 67.5 | Low | 65.7 | Low | 63 Ų | 63 | 83.6 Ų | 83.6 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F846 | G844-F846 VanDerWaalsContact C-N 3.27Å; G844-F846 PolarHBondContact O-N 2.75Å |
| 845 | D | 82.1 | Confident | 66.5 | Low | 121 Ų | 121 | 86.6 Ų | 86.6 | 65% | 0.647 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.7 | -175.1 | -43.9 | -36.9 | 0 | 0 | 0 | 113.9 | F843 | F843-D845 PolarHBondContact O-N 3.39Š|
| 846 | F | 85.8 | Confident | 66.7 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 9% | 0.088 | 45% | 0.452 | C | S | . | . | trans | -88.3 | 121.4 | -172.5 | -80.5 | -113.2 | 0 | 0 | 0 | 112.1 | F843 G844 T848 I906 K1021 A1023 Y1033 E1035 | F843-F846 HydrophobicContact CB-CD2 4.05Å; F843-F846 HydrophobicContact CB-CE2 4.46Å; F843-F846 AromaticContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CD2 3.88Å; F843-F846 HydrophobicContact CD1-CE1 4.25Å; F843-F846 AromaticContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CE2 3.55Å; F843-F846 HydrophobicContact CD1-CG 4.36Å; F843-F846 AromaticContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CD1-CZ 3.77Å; F843-F846 HydrophobicContact CE1-CE2 4.25Å; F843-F846 HydrophobicContact CE1-CZ 4.12Å; F843-F846 HydrophobicContact CG-CD2 4.45Å; F843-F846 HydrophobicContact CG-CE2 4.41Å; F843-F846 PolarHBondContact O-N 3.39Å; G844-F846 VanDerWaalsContact C-N 3.27Å; G844-F846 PolarHBondContact O-N 2.75Å; F846-T848 PolarHBondContact O-N 3.08Å; F846-T848 VanDerWaalsContact O-N 3.14Å; F846-I906 HydrophobicContact CE1-CD1 3.7Å; F846-I906 HydrophobicContact CZ-CD1 3.64Å; F846-K1021 HydrophobicContact CD1-CB 3.81Å; F846-K1021 HydrophobicContact CD2-CB 4.05Å; F846-K1021 HydrophobicContact CD2-CD 4.41Å; F846-K1021 HydrophobicContact CE1-CB 3.8Å; F846-K1021 HydrophobicContact CE2-CB 4.06Å; F846-K1021 HydrophobicContact CE2-CD 3.89Å; F846-K1021 HydrophobicContact CE2-CG 4.45Å; F846-K1021 HydrophobicContact CG-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CD 4.09Å; F846-K1021 HydrophobicContact CZ-CG 4.29Å; F846-A1023 HydrophobicContact CB-CB 4.09Å; F846-Y1033 AromaticContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CE1-CD1 4.33Å; F846-Y1033 HydrophobicContact CG-CD1 4.21Å; F846-E1035 VanDerWaalsContact CZ-OE1 3.28Å; F846-E1035 WeakPolarHBondContact CZ-OE1 3.37Å | ||
| 847 | L | 85.8 | Confident | 66.7 | Low | 109 Ų | 109 | 83 Ų | 83 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 114.1 | 173.6 | -65.5 | 177.6 | 0 | 0 | 0 | 109.7 | L849 K1021 I1022 A1023 | L847-L849 PolarHBondContact O-N 2.62Å; L847-K1021 PolarHBondContact N-O 2.82Å; L847-I1022 CarbonylContact O-C 3.55Å; L847-I1022 VanDerWaalsContact O-CA 3.32Å; L847-I1022 WeakPolarHBondContact O-CA 3.23Å; L847-A1023 PolarHBondContact O-N 3.2Å |
| 848 | T | 88.1 | Confident | 66.2 | Low | 96 Ų | 96 | 78.8 Ų | 78.8 | 59% | 0.589 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.5 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 109.7 | F846 A1023 | F846-T848 PolarHBondContact O-N 3.08Å; F846-T848 VanDerWaalsContact O-N 3.14Å; T848-A1023 WeakPolarHBondContact CA-O 3.38Å |
| 849 | L | 88.8 | Confident | 65.7 | Low | 49 Ų | 49 | 83.3 Ų | 83.3 | 26% | 0.257 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.3 | 173.3 | -68.5 | -173.8 | 0 | 0 | 0 | 110.4 | L847 L986 I1022 A1023 Q1025 | L847-L849 PolarHBondContact O-N 2.62Å; L849-L986 HydrophobicContact CD1-CD1 4.26Å; L849-I1022 HydrophobicContact CB-CG2 4.06Å; L849-I1022 HydrophobicContact CD1-CD1 3.89Å; L849-I1022 HydrophobicContact CD1-CG2 3.83Å; L849-I1022 HydrophobicContact CG-CG2 3.89Å; L849-A1023 PolarHBondContact N-O 2.97Å; L849-Q1025 PolarHBondContact O-N 3.41Å |
| 850 | P | 89.2 | Confident | 64.7 | Low | 81 Ų | 81 | 84 Ų | 84 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 149.5 | 167.5 | 31.2 | -34.3 | 0 | 0 | 0 | 109.8 | E852 | P850-E852 PolarHBondContact O-N 3.02Å; P850-E852 VanDerWaalsContact O-N 3.15Å |
| 851 | S | 88.8 | Confident | 63.8 | Low | 19 Ų | 19 | 85.8 Ų | 85.8 | 13% | 0.133 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 118.7 | 164.9 | -179 | 0 | 0 | 0 | 0 | 109.6 | G979 G980 Q1025 | S851-G979 WeakPolarHBondContact OG-CA 3.36Å; S851-G980 PolarHBondContact OG-N 3.34Å; S851-Q1025 VanDerWaalsContact CB-O 3.27Å; S851-Q1025 WeakPolarHBondContact CB-O 3.17Å; S851-Q1025 PolarHBondContact N-O 2.95Å |
| 852 | E | 86.8 | Confident | 62.6 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 35% | 0.346 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -77 | 162.6 | 161.8 | -67.3 | 172.1 | 159.2 | 0 | 0 | 109 | P850 F959 Y978 G980 D982 | P850-E852 PolarHBondContact O-N 3.02Å; P850-E852 VanDerWaalsContact O-N 3.15Å; E852-F959 HydrophobicContact CB-CE2 4.12Å; E852-F959 HydrophobicContact CB-CZ 4.47Å; E852-Y978 WeakPolarHBondContact O-CE1 3.45Å; E852-G980 PolarHBondContact N-O 3.48Å; E852-G980 WeakPolarHBondContact O-CA 3.38Å; E852-D982 VanDerWaalsContact OE2-CB 3.22Å; E852-D982 WeakPolarHBondContact OE2-CB 3.18Å; E852-D982 PolarHBondContact OE2-N 3.46Å |
| 853 | R | 80.7 | Confident | 60.7 | Low | 94 Ų | 94 | 92.1 Ų | 92.1 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | trans | -116.1 | 141.6 | 170.8 | -73.3 | 179 | 169.8 | -132.9 | 4.9 | 108.3 | L855 Y978 E1027 | R853-L855 PolarHBondContact O-N 2.8Å; R853-Y978 HydrophobicContact CG-CE1 4.23Å; R853-E1027 IonicContact CZ-OE1 3.64Å; R853-E1027 IonicContact CZ-OE2 3.35Å; R853-E1027 IonicContact NE-OE1 2.82Å; R853-E1027 PolarHBondContact NE-OE1 3.24Å; R853-E1027 IonicContact NE-OE2 3.32Å; R853-E1027 PolarHBondContact NE-OE2 3.23Å; R853-E1027 IonicContact NH2-OE1 3.6Å; R853-E1027 IonicContact NH2-OE2 2.64Å; R853-E1027 PolarHBondContact NH2-OE2 3.02Å | ||
| 854 | C | 62.8 | Low | 58.7 | Low | 40 Ų | 40 | 99 Ų | 99 | 27% | 0.27 | 55% | 0.554 | S | S | . | * | trans | -61 | 105.9 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 110 | S856 F959 S1511 | C854-S856 PolarHBondContact O-N 3.22Å; C854-F959 HydrophobicContact CB-CD1 3.98Å; C854-F959 HydrophobicContact CB-CD2 4.47Å; C854-F959 HydrophobicContact CB-CE1 3.91Å; C854-F959 HydrophobicContact CB-CE2 4.4Å; C854-F959 HydrophobicContact CB-CG 4.26Å; C854-F959 HydrophobicContact CB-CZ 4.11Å; C854-F959 VanDerWaalsContact N-CZ 3.33Å; C854-S1511 PolarHBondContact O-OG 3.27Å | ||
| 855 | L | 46.3 | Very low | 56.8 | Low | 136 Ų | 136 | 102.3 Ų | 102.3 | 71% | 0.712 | 56% | 0.564 | S | S | * | * | trans | -81.3 | 70.2 | 171.7 | -71.4 | 178.9 | 0 | 0 | 0 | 109 | R853 T857 | R853-L855 PolarHBondContact O-N 2.8Å; L855-T857 PolarHBondContact O-N 3.21Å | ||
| 856 | S | 40 | Very low | 54.3 | Low | 38 Ų | 38 | 101.2 Ų | 101.2 | 27% | 0.266 | 57% | 0.566 | S | S | . | * | trans | -48.1 | 121.3 | 172.3 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | C854 S858 T1509 | C854-S856 PolarHBondContact O-N 3.22Å; S856-S858 PolarHBondContact O-N 2.88Å; S856-T1509 WeakPolarHBondContact OG-CA 3.43Å; S856-T1509 VanDerWaalsContact OG-CB 3.22Å; S856-T1509 WeakPolarHBondContact OG-CB 3.45Å | ||
| 857 | T | 31.7 | Very low | 51.8 | Low | 143 Ų | 143 | 108.7 Ų | 108.7 | 88% | 0.877 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -61.3 | 95 | -158.1 | -15 | 0 | 0 | 0 | 0 | 113.7 | L855 | L855-T857 PolarHBondContact O-N 3.21Š|
| 858 | S | 28 | Very low | 49.2 | Very low | 91 Ų | 91 | 109 Ų | 109 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -160.3 | 69.4 | 172.1 | -166.6 | 0 | 0 | 0 | 0 | 111 | S856 | S856-S858 PolarHBondContact O-N 2.88Š| ||
| 859 | Q | 30.5 | Very low | 46.3 | Very low | 184 Ų | 184 | 109.4 Ų | 109.4 | 86% | 0.86 | 62% | 0.619 | S | S | * | * | trans | -147.7 | 147.1 | 167.4 | -109.2 | 162.5 | 36.5 | 0 | 0 | 110.2 | ||||
| 860 | A | 27.8 | Very low | 43.4 | Very low | 82 Ų | 82 | 111.4 Ų | 111.4 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 861 | P | 28.5 | Very low | 40.5 | Very low | 109 Ų | 109 | 117 Ų | 117 | 71% | 0.708 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 153.1 | 164.1 | 26.4 | -36.1 | 0 | 0 | 0 | 111 | R863 | P861-R863 PolarHBondContact O-N 3.46Š|
| 862 | P | 30.7 | Very low | 37.7 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 125.1 | 177.7 | 25 | -33.9 | 0 | 0 | 0 | 110 | H864 | P862-H864 PolarHBondContact O-N 3.12Š|
| 863 | R | 28.2 | Very low | 34.8 | Very low | 243 Ų | 243 | 128.3 Ų | 128.3 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 117.6 | 174.3 | -70.6 | -177 | 175.8 | -173 | -1.9 | 108.4 | P861 | P861-R863 PolarHBondContact O-N 3.46Š|
| 864 | H | 34.2 | Very low | 32.2 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.3 | 173.1 | -81.1 | -99.9 | 0 | 0 | 0 | 110.5 | P862 S866 | P862-H864 PolarHBondContact O-N 3.12Å; H864-S866 PolarHBondContact O-N 2.98Å |
| 865 | P | 28.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.8 | 164 | 30.4 | -32 | 0 | 0 | 0 | 108.5 | ||
| 866 | S | 29.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | -130 | 114.7 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | H864 | H864-S866 PolarHBondContact O-N 2.98Š| ||
| 867 | Q | 31.4 | Very low | 29.1 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | 171.4 | 135.5 | 117.7 | -89.6 | 167.1 | 33.2 | 0 | 0 | 110.8 | |||||
| 868 | S | 31.8 | Very low | 29.2 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | 60.1 | 142.8 | 165.8 | 53.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 869 | S | 28.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | cis | -173.9 | 151.4 | -19 | 47.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 870 | S | 28.4 | Very low | 29.4 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | trans | 86.3 | 125 | 144.4 | -68.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 871 | Y | 27.7 | Very low | 29.6 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 69.6 | 155.5 | 153.3 | -57.3 | -60.2 | 0 | 0 | 0 | 119.6 | ||||
| 872 | D | 29 | Very low | 29.7 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | -161.3 | -166.8 | -70.7 | -81.6 | -12.8 | 0 | 0 | 0 | 106.4 | |||||
| 873 | W | 25.8 | Very low | 29.8 | Very low | 214 Ų | 214 | 135 Ų | 135 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | cis | -157.3 | -176.1 | 16.9 | -105.7 | 112.1 | 0 | 0 | 0 | 111 | ||||
| 874 | D | 27.2 | Very low | 29.7 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | trans | -67.8 | 176.9 | 175.7 | -73.5 | -67.8 | 0 | 0 | 0 | 115.2 | ||||
| 875 | T | 27.6 | Very low | 29.7 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | cis | -164.1 | 145 | 40.7 | -18.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 876 | S | 27.4 | Very low | 29.6 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | 36.7 | 122.1 | 144.5 | 64.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 877 | N | 27.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | -179.4 | 156.6 | 101.6 | -94 | -39.3 | 0 | 0 | 0 | 114.6 | |||||
| 878 | T | 34.9 | Very low | 29.4 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 57% | 0.571 | 73% | 0.734 | S | S | * | * | trans | -131.1 | 160.7 | -174.8 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | T420 | T420-T878 WeakPolarHBondContact OG1-CB 3.35Å; T420-T878 VanDerWaalsContact OG1-CG2 3.23Å; T420-T878 WeakPolarHBondContact OG1-CG2 3.27Å | ||
| 879 | P | 32.7 | Very low | 29.3 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | -157 | -176.7 | 101.3 | 40.8 | -20.1 | 0 | 0 | 0 | 117.3 | T420 | T420-P879 WeakPolarHBondContact CB-O 3.33Å; T420-P879 VanDerWaalsContact CG2-C 3.45Å; T420-P879 WeakPolarHBondContact CG2-O 3.24Å | |||
| 880 | S | 30.1 | Very low | 29.4 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -87.9 | -170.9 | -163.4 | -46 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 881 | R | 31.5 | Very low | 29.5 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | cis | -173 | 146.8 | 23.8 | -145.8 | -176.9 | -163.3 | -170.7 | 4.4 | 113.6 | ||||
| 882 | T | 31.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 58.2 | 153.9 | 147.8 | 41.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 883 | A | 31.1 | Very low | 29.7 | Very low | 74 Ų | 74 | 143.2 Ų | 143.2 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | cis | -165.8 | 171.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 884 | N | 27.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 67.3 | 99.4 | 157.7 | -66.3 | 0.1 | 0 | 0 | 0 | 121 | ||||
| 885 | L | 32.3 | Very low | 31.5 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 94% | 0.937 | 73% | 0.733 | S | S | * | * | trans | -136.3 | 123.6 | 134.2 | -99.6 | 167.6 | 0 | 0 | 0 | 107.7 | ||||
| 886 | Q | 27.2 | Very low | 33.2 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | trans | -117.8 | 112.8 | 176.5 | -72.4 | 178.9 | -23.6 | 0 | 0 | 108.2 | ||||
| 887 | N | 26.4 | Very low | 35.7 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | 153.6 | 73.9 | 159.4 | -82.1 | -17.1 | 0 | 0 | 0 | 109.8 | ||||
| 888 | V | 31.4 | Very low | 38.4 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | trans | -137.3 | 139.5 | 168 | -174 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 889 | D | 29.8 | Very low | 40.9 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | -42.3 | 136.7 | -159.2 | -56.8 | -70.9 | 0 | 0 | 0 | 119 | I891 | D889-I891 PolarHBondContact O-N 3.49Š| ||
| 890 | R | 29.1 | Very low | 43.6 | Very low | 249 Ų | 249 | 113.8 Ų | 113.8 | 94% | 0.94 | 61% | 0.608 | S | S | * | * | trans | -75.7 | 86.3 | 167.4 | -67.6 | -172.8 | -176.3 | -170.2 | 3.5 | 110.5 | P892 | R890-P892 WeakPolarHBondContact O-CD 3.33Š| ||
| 891 | I | 30.4 | Very low | 46.5 | Very low | 141 Ų | 141 | 109.4 Ų | 109.4 | 72% | 0.723 | 58% | 0.577 | S | S | * | * | trans | -60.3 | 119.7 | 169.3 | -56.6 | 174 | 0 | 0 | 0 | 109.1 | D889 K893 | D889-I891 PolarHBondContact O-N 3.49Å; I891-K893 PolarHBondContact O-N 3.37Å | ||
| 892 | P | 31.2 | Very low | 49.4 | Very low | 106 Ų | 106 | 100 Ų | 100 | 69% | 0.688 | 54% | 0.542 | S | S | * | . | trans | -70.4 | 126.3 | -178.4 | 27.3 | -33.4 | 0 | 0 | 0 | 111.3 | R890 S894 | R890-P892 WeakPolarHBondContact O-CD 3.33Å; P892-S894 VanDerWaalsContact C-N 3.35Å; P892-S894 PolarHBondContact O-N 3.35Å | ||
| 893 | K | 31 | Very low | 52.3 | Low | 191 Ų | 191 | 94.6 Ų | 94.6 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | trans | -92.2 | 26.1 | -175.3 | -70.6 | -172 | 174.9 | -178.2 | 0 | 114.5 | I891 | I891-K893 PolarHBondContact O-N 3.37Š| ||
| 894 | S | 38.7 | Very low | 55.3 | Low | 93 Ų | 93 | 92.6 Ų | 92.6 | 65% | 0.65 | 49% | 0.487 | S | S | * | . | trans | -104.2 | 92.3 | 178.3 | 37 | 0 | 0 | 0 | 0 | 110.8 | P892 N896 | P892-S894 VanDerWaalsContact C-N 3.35Å; P892-S894 PolarHBondContact O-N 3.35Å; S894-N896 PolarHBondContact O-N 2.88Å | ||
| 895 | G | 51.6 | Low | 58.4 | Low | 44 Ų | 44 | 85.8 Ų | 85.8 | 45% | 0.454 | 45% | 0.451 | S | S | . | . | trans | -79.3 | 43.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K984 | G895-K984 PolarHBondContact O-NZ 3.47Š| ||
| 896 | N | 64.1 | Low | 61.3 | Low | 72 Ų | 72 | 78.4 Ų | 78.4 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | trans | -114.5 | 138.4 | -175.4 | -71.8 | 18.9 | 0 | 0 | 0 | 111.3 | S894 D956 | S894-N896 PolarHBondContact O-N 2.88Å; N896-D956 HydrophobicContact CB-CB 4.49Å; N896-D956 VanDerWaalsContact CB-OD1 3.26Å; N896-D956 WeakPolarHBondContact CB-OD1 3.48Å; N896-D956 PolarHBondContact ND2-OD1 3.25Å | ||
| 897 | L | 78.6 | Confident | 64.4 | Low | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | trans | -98.5 | 102.9 | -179.2 | -60.7 | -179 | 0 | 0 | 0 | 110.9 | M954 D956 N957 L983 K984 L987 | L897-M954 HydrophobicContact CB-CE 3.46Å; L897-M954 VanDerWaalsContact CB-CE 3.46Å; L897-M954 HydrophobicContact CB-SD 4.45Å; L897-M954 HydrophobicContact CD1-CE 4.02Å; L897-M954 HydrophobicContact CG-CE 4.4Å; L897-D956 PolarHBondContact O-N 3.23Å; L897-N957 PolarHBondContact O-N 3.41Å; L897-L983 HydrophobicContact CD1-CB 3.75Å; L897-K984 HydrophobicContact CD1-CB 4.49Å; L897-L987 HydrophobicContact CD1-CD2 4.16Å; L897-L987 HydrophobicContact CD2-CD2 3.93Å | ||
| 898 | N | 85.4 | Confident | 67.5 | Low | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | trans | -120.9 | 149.1 | -178.9 | -72.9 | -45.1 | 0 | 0 | 0 | 111.3 | E955 D956 H1038 L1041 | N898-E955 VanDerWaalsContact OD1-CA 3.27Å; N898-E955 WeakPolarHBondContact OD1-CA 3.36Å; N898-D956 PolarHBondContact ND2-OD1 3.16Å; N898-D956 PolarHBondContact OD1-N 2.85Å; N898-D956 PolarHBondContact OD1-OD1 3.14Å; N898-H1038 PolarHBondContact O-CE1 3.43Å; N898-H1038 PolarHBondContact O-NE2 3.15Å; N898-L1041 HydrophobicContact CB-CB 4.34Å; N898-L1041 HydrophobicContact CB-CD2 4.43Å; N898-L1041 PolarHBondContact O-N 2.74Å | ||
| 899 | G | 87.1 | Confident | 70.4 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123 | -142.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M954 I1039 | G899-M954 PolarHBondContact N-O 3.22Å; G899-M954 PolarHBondContact O-N 3.35Å; G899-I1039 CarbonylContact C-O 3.6Å; G899-I1039 WeakPolarHBondContact CA-O 3.28Å |
| 900 | L | 88.9 | Confident | 73 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.4 | -177.4 | -162.7 | 70.4 | 0 | 0 | 0 | 111.1 | E951 H1038 I1039 L1044 | L900-E951 HydrophobicContact CD1-CB 4.16Å; L900-E951 HydrophobicContact CD2-CB 4.22Å; L900-E951 HydrophobicContact CD2-CG 4.11Å; L900-E951 HydrophobicContact CG-CB 4.36Å; L900-H1038 WeakPolarHBondContact O-CA 3.38Å; L900-H1038 PolarHBondContact O-CD2 2.91Å; L900-I1039 HydrophobicContact CB-CB 4.4Å; L900-I1039 PolarHBondContact N-O 3.04Å; L900-I1039 PolarHBondContact O-N 3.45Å; L900-L1044 HydrophobicContact CB-CD1 3.81Å; L900-L1044 HydrophobicContact CB-CD2 3.85Å; L900-L1044 HydrophobicContact CB-CG 4.44Å; L900-L1044 HydrophobicContact CD2-CD1 3.99Å; L900-L1044 HydrophobicContact CG-CD1 4.47Å |
| 901 | F | 91.3 | Very high | 75.6 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.6 | 177.7 | -177.2 | -90.5 | 0 | 0 | 0 | 110.3 | L903 M927 L952 M954 L960 L983 L1036 H1038 | F901-L903 HydrophobicContact CD1-CB 4.31Å; F901-L903 HydrophobicContact CE1-CB 4.07Å; F901-M927 HydrophobicContact CB-CE 3.89Å; F901-M927 HydrophobicContact CD1-CE 3.6Å; F901-M927 HydrophobicContact CE1-CE 4.23Å; F901-M927 HydrophobicContact CG-CE 3.82Å; F901-L952 HydrophobicContact CB-CB 4.49Å; F901-L952 HydrophobicContact CD1-CD1 4.22Å; F901-L952 PolarHBondContact N-O 3.01Å; F901-L952 PolarHBondContact O-N 3.24Å; F901-M954 HydrophobicContact CB-CG 3.69Å; F901-M954 HydrophobicContact CB-SD 3.66Å; F901-M954 HydrophobicContact CD2-SD 3.91Å; F901-M954 HydrophobicContact CG-SD 4.11Å; F901-L960 HydrophobicContact CE1-CD2 3.81Å; F901-L960 HydrophobicContact CZ-CD2 3.94Å; F901-L983 HydrophobicContact CE2-CD2 3.76Å; F901-L983 HydrophobicContact CZ-CD2 3.8Å; F901-L1036 HydrophobicContact CE1-CD2 4.04Å; F901-L1036 HydrophobicContact CZ-CB 4.27Å; F901-L1036 HydrophobicContact CZ-CD1 4.1Å; F901-L1036 HydrophobicContact CZ-CD2 3.85Å; F901-L1036 HydrophobicContact CZ-CG 4.31Å; F901-H1038 HydrophobicContact CD2-CB 4.4Å |
| 902 | I | 91.6 | Very high | 77.6 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121.3 | -177.8 | -51.2 | 179.7 | 0 | 0 | 0 | 108.1 | V949 F950 E951 V1012 L1036 S1037 I1039 | I902-V949 HydrophobicContact CG2-CG1 3.68Å; I902-F950 WeakPolarHBondContact CA-O 3.15Å; I902-E951 HydrophobicContact CG1-CG 4.44Å; I902-V1012 HydrophobicContact CD1-CB 3.63Å; I902-V1012 HydrophobicContact CD1-CG1 4.14Å; I902-V1012 HydrophobicContact CD1-CG2 3.64Å; I902-L1036 WeakPolarHBondContact O-CA 3.32Å; I902-S1037 PolarHBondContact N-O 3.26Å; I902-S1037 PolarHBondContact O-N 3.46Å; I902-I1039 HydrophobicContact CD1-CD1 4.31Å |
| 903 | L | 93.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 109 | -179.9 | 170.8 | 61.7 | 0 | 0 | 0 | 109.3 | F901 V905 I925 V949 F950 L952 L1034 L1036 | F901-L903 HydrophobicContact CD1-CB 4.31Å; F901-L903 HydrophobicContact CE1-CB 4.07Å; L903-V905 HydrophobicContact CG-CG2 4.25Å; L903-I925 HydrophobicContact CD2-CD1 3.71Å; L903-I925 HydrophobicContact CD2-CG1 3.96Å; L903-I925 HydrophobicContact CD2-CG2 3.75Å; L903-V949 WeakPolarHBondContact O-CA 3.14Å; L903-F950 PolarHBondContact N-O 3.31Å; L903-F950 PolarHBondContact O-N 2.98Å; L903-L952 HydrophobicContact CB-CD1 4.19Å; L903-L952 HydrophobicContact CD2-CD1 4.04Å; L903-L1034 HydrophobicContact CD1-CB 4.49Å; L903-L1034 HydrophobicContact CD1-CD1 4.18Å; L903-L1034 HydrophobicContact CD1-CD2 3.93Å; L903-L1034 HydrophobicContact CD1-CG 4.43Å; L903-L1036 HydrophobicContact CB-CD2 4.47Å; L903-L1036 HydrophobicContact CD1-CD2 3.33Å; L903-L1036 HydrophobicContact CG-CD2 4.48Å |
| 904 | H | 93.1 | Very high | 80.4 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.2 | 169.8 | -176 | -171.1 | 0 | 0 | 0 | 109.3 | I906 N947 V949 L1034 E1035 | H904-I906 PolarHBondContact O-N 3.23Å; H904-N947 PolarHBondContact NE2-OD1 3.25Å; H904-V949 HydrophobicContact CB-CG2 4Å; H904-V949 VanDerWaalsContact CD2-CG2 3.46Å; H904-V949 WeakPolarHBondContact CD2-CG2 3.3Å; H904-L1034 VanDerWaalsContact O-CA 3.31Å; H904-L1034 WeakPolarHBondContact O-CA 3.46Å; H904-E1035 HydrophobicContact CB-CB 3.95Å; H904-E1035 PolarHBondContact N-O 3.41Å; H904-E1035 PolarHBondContact O-N 3.46Å |
| 905 | V | 93.4 | Very high | 81.2 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 100.3 | 170.6 | -172.7 | 0 | 0 | 0 | 0 | 107.4 | L903 W946 N947 E948 F950 L1032 L1034 | L903-V905 HydrophobicContact CG-CG2 4.25Å; V905-W946 HydrophobicContact CB-CG 4.37Å; V905-W946 HydrophobicContact CG1-CB 4.03Å; V905-W946 HydrophobicContact CG1-CD2 3.91Å; V905-W946 HydrophobicContact CG1-CE3 4.15Å; V905-W946 HydrophobicContact CG1-CG 3.79Å; V905-N947 WeakPolarHBondContact O-CA 3.29Å; V905-N947 PolarHBondContact O-N 2.95Å; V905-E948 PolarHBondContact N-O 2.85Å; V905-E948 PolarHBondContact O-N 3.17Å; V905-E948 VanDerWaalsContact O-N 3.12Å; V905-F950 HydrophobicContact CG2-CE2 4.5Å; V905-L1032 HydrophobicContact CG1-CD1 3.86Å; V905-L1032 HydrophobicContact CG1-CD2 4.19Å; V905-L1032 HydrophobicContact CG1-CG 4.16Å; V905-L1034 HydrophobicContact CB-CD2 4.26Å; V905-L1034 HydrophobicContact CG1-CD2 4.21Å; V905-L1034 HydrophobicContact CG2-CD2 4.01Å |
| 906 | I | 92.6 | Very high | 81.7 | Confident | 24 Ų | 24 | 37.9 Ų | 37.9 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -55.4 | -169.1 | -50.4 | 171.1 | 0 | 0 | 0 | 110.9 | F843 F846 H904 W946 N947 Y1033 E1035 | F843-I906 HydrophobicContact CE1-CG2 4.28Å; F846-I906 HydrophobicContact CE1-CD1 3.7Å; F846-I906 HydrophobicContact CZ-CD1 3.64Å; H904-I906 PolarHBondContact O-N 3.23Å; I906-W946 PolarHBondContact O-N 3.23Å; I906-N947 PolarHBondContact O-N 2.96Å; I906-Y1033 WeakPolarHBondContact CB-O 3.46Å; I906-Y1033 PolarHBondContact N-O 3.35Å; I906-E1035 HydrophobicContact CD1-CB 3.96Å; I906-E1035 HydrophobicContact CD1-CG 3.69Å; I906-E1035 VanDerWaalsContact CD1-OE1 3.29Å; I906-E1035 WeakPolarHBondContact CD1-OE1 3.4Å; I906-E1035 HydrophobicContact CG1-CB 4.47Å |
| 907 | A | 93.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 151.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F843 Y943 F944 E945 Y1033 | F843-A907 HydrophobicContact CZ-CB 4.38Å; A907-Y943 HydrophobicContact CB-CE2 3.92Å; A907-F944 CarbonylContact C-O 3.44Å; A907-F944 VanDerWaalsContact CA-O 3.22Å; A907-F944 WeakPolarHBondContact CA-O 3.49Å; A907-F944 VanDerWaalsContact CB-O 3.31Å; A907-F944 WeakPolarHBondContact CB-O 3.38Å; A907-E945 HydrophobicContact CB-CG 4.44Å; A907-Y1033 HydrophobicContact CB-CD2 4.02Å; A907-Y1033 PolarHBondContact O-N 3.03Å |
| 908 | G | 92.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y943 F944 | G908-Y943 WeakPolarHBondContact O-CA 3.3Å; G908-F944 PolarHBondContact N-O 3.09Å; G908-F944 PolarHBondContact O-N 2.94Å |
| 909 | K | 91.1 | Very high | 80.2 | Confident | 93 Ų | 93 | 42.6 Ų | 42.6 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.3 | -179.2 | -173.9 | 178.6 | -180 | 179.3 | 0 | 112.2 | L911 S942 Y943 G1030 V1031 Y1033 | K909-L911 VanDerWaalsContact C-N 3.27Å; K909-L911 PolarHBondContact O-N 2.99Å; K909-S942 CarbonylContact C-O 3.55Å; K909-S942 WeakPolarHBondContact CA-O 3.48Å; K909-Y943 HydrophobicContact CB-CD2 4.14Å; K909-Y943 HydrophobicContact CD-CD2 4.43Å; K909-Y943 HydrophobicContact CG-CD2 4.32Å; K909-G1030 CarbonylContact O-C 3.56Å; K909-G1030 WeakPolarHBondContact O-CA 3.13Å; K909-V1031 HydrophobicContact CB-CB 4.43Å; K909-V1031 PolarHBondContact N-O 3.43Å; K909-V1031 PolarHBondContact O-N 3.18Å; K909-Y1033 HydrophobicContact CB-CE2 3.91Å; K909-Y1033 HydrophobicContact CD-CE2 4.11Å; K909-Y1033 WeakPolarHBondContact CD-OH 3.33Å |
| 910 | G | 85.1 | Confident | 79.9 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 74.9 | 10 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | N912 S942 | G910-N912 PolarHBondContact O-N 3.42Å; G910-S942 PolarHBondContact N-O 3.32Å |
| 911 | L | 83.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -77.8 | 53.7 | -175.1 | -55.8 | 174.5 | 0 | 0 | 0 | 112.1 | K909 S913 R919 L921 F944 L964 F977 L1026 | K909-L911 VanDerWaalsContact C-N 3.27Å; K909-L911 PolarHBondContact O-N 2.99Å; L911-S913 PolarHBondContact O-N 3.47Å; L911-R919 PolarHBondContact O-NH1 3.02Å; L911-L921 HydrophobicContact CB-CD1 4.35Å; L911-F944 HydrophobicContact CB-CE1 4.33Å; L911-F944 HydrophobicContact CD1-CE1 4.01Å; L911-F944 HydrophobicContact CD1-CZ 3.69Å; L911-L964 HydrophobicContact CD1-CD1 3.74Å; L911-L964 HydrophobicContact CD2-CD1 4.15Å; L911-F977 VanDerWaalsContact C-CZ 3.44Å; L911-F977 HydrophobicContact CB-CD2 4.37Å; L911-F977 HydrophobicContact CB-CE2 3.87Å; L911-F977 HydrophobicContact CB-CZ 4.06Å; L911-F977 HydrophobicContact CD2-CB 4.48Å; L911-F977 HydrophobicContact CD2-CD1 4.02Å; L911-F977 HydrophobicContact CD2-CD2 3.95Å; L911-F977 HydrophobicContact CD2-CE1 4.27Å; L911-F977 HydrophobicContact CD2-CE2 4.2Å; L911-F977 HydrophobicContact CD2-CG 3.87Å; L911-F977 HydrophobicContact CD2-CZ 4.36Å; L911-L1026 HydrophobicContact CD2-CD1 3.73Å | ||
| 912 | N | 72.9 | Confident | 79.8 | Confident | 92 Ų | 92 | 43.8 Ų | 43.8 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | trans | -92 | 90.7 | -174.2 | -73.4 | 10.2 | 0 | 0 | 0 | 111 | G910 R919 | G910-N912 PolarHBondContact O-N 3.42Å; N912-R919 PolarHBondContact OD1-NH1 3.41Å; N912-R919 PolarHBondContact OD1-NH2 3.28Å | ||
| 913 | S | 62.1 | Low | 79.8 | Confident | 13 Ų | 13 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -98.3 | 107.4 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | L911 Q966 C976 | L911-S913 PolarHBondContact O-N 3.47Å; S913-Q966 PolarHBondContact O-OE1 2.89Å; S913-Q966 PolarHBondContact OG-OE1 3.43Å; S913-C976 PolarHBondContact OG-SG 3.05Å | ||
| 914 | T | 57.7 | Low | 79.8 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 50% | 0.497 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 63.5 | 175.9 | 174.2 | 72.6 | 0 | 0 | 0 | 0 | 116.5 | I916 | T914-I916 PolarHBondContact O-N 3.48Š|
| 915 | H | 56.1 | Low | 80 | Confident | 197 Ų | 197 | 42.2 Ų | 42.2 | 91% | 0.912 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -74.5 | 17.3 | -170.1 | -66.4 | -85 | 0 | 0 | 0 | 115.5 | ||
| 916 | I | 61.5 | Low | 80 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | trans | -87.6 | 129 | -174.1 | -46.2 | -175.4 | 0 | 0 | 0 | 110.1 | T914 V918 | T914-I916 PolarHBondContact O-N 3.48Å; I916-V918 VanDerWaalsContact C-N 3.34Å; I916-V918 WeakPolarHBondContact CG2-O 3.44Å; I916-V918 PolarHBondContact O-N 3.22Å | ||
| 917 | I | 62.4 | Low | 80 | Confident | 143 Ų | 143 | 42 Ų | 42 | 73% | 0.733 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -67.9 | -32.4 | -175.2 | -59.7 | 174.3 | 0 | 0 | 0 | 112 | S940 | I917-S940 WeakPolarHBondContact O-CA 3.4Å; I917-S940 WeakPolarHBondContact O-CB 3.27Å |
| 918 | V | 63.3 | Low | 79.9 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -127 | 132.5 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I916 R938 | I916-V918 VanDerWaalsContact C-N 3.34Å; I916-V918 WeakPolarHBondContact CG2-O 3.44Å; I916-V918 PolarHBondContact O-N 3.22Å; V918-R938 HydrophobicContact CG1-CG 3.67Å |
| 919 | R | 72.1 | Confident | 79.8 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.5 | -173.5 | -50.9 | 178.8 | -158.1 | 127 | 20 | 110.2 | L911 N912 L921 R938 T939 T941 | L911-R919 PolarHBondContact O-NH1 3.02Å; N912-R919 PolarHBondContact OD1-NH1 3.41Å; N912-R919 PolarHBondContact OD1-NH2 3.28Å; R919-L921 HydrophobicContact CB-CG 4.3Å; R919-R938 WeakPolarHBondContact O-CA 3.44Å; R919-T939 PolarHBondContact N-O 2.84Å; R919-T939 PolarHBondContact O-N 3.42Å; R919-T941 PolarHBondContact NH1-O 3.23Å |
| 920 | D | 81.1 | Confident | 79.7 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 100.4 | 174.3 | -59.4 | 6.3 | 0 | 0 | 0 | 106.7 | Y922 R938 Q966 W967 | D920-Y922 HydrophobicContact CB-CE2 3.8Å; D920-R938 IonicContact OD1-CZ 3.81Å; D920-R938 IonicContact OD1-NE 3.43Å; D920-R938 IonicContact OD1-NH1 3.14Å; D920-R938 PolarHBondContact OD1-NH1 2.88Å; D920-R938 VanDerWaalsContact OD1-NH1 3.13Å; D920-R938 IonicContact OD1-NH2 3.67Å; D920-R938 PolarHBondContact OD1-NH2 2.96Å; D920-R938 IonicContact OD2-CZ 2.8Å; D920-R938 IonicContact OD2-NH1 3.4Å; D920-R938 PolarHBondContact OD2-NH1 2.86Å; D920-R938 IonicContact OD2-NH2 3.04Å; D920-R938 PolarHBondContact OD2-NH2 2.89Å; D920-Q966 WeakPolarHBondContact O-CA 3.1Å; D920-W967 PolarHBondContact O-N 2.97Å; D920-W967 VanDerWaalsContact O-N 3.15Å |
| 921 | L | 87.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.5 | -177.4 | -64 | 178.6 | 0 | 0 | 0 | 109.6 | L911 R919 M936 I937 T939 F944 W946 Y965 Q966 | L911-L921 HydrophobicContact CB-CD1 4.35Å; R919-L921 HydrophobicContact CB-CG 4.3Å; L921-M936 CarbonylContact O-C 3.59Å; L921-M936 WeakPolarHBondContact O-CA 3.46Å; L921-I937 HydrophobicContact CB-CG2 3.98Å; L921-I937 PolarHBondContact N-O 2.93Å; L921-I937 PolarHBondContact O-N 3.08Å; L921-T939 HydrophobicContact CD1-CG2 4.13Å; L921-F944 HydrophobicContact CD1-CE1 4.11Å; L921-F944 HydrophobicContact CD1-CZ 3.8Å; L921-W946 HydrophobicContact CB-CH2 4.43Å; L921-Y965 CarbonylContact C-O 3.53Å; L921-Y965 WeakPolarHBondContact CA-O 3.46Å; L921-Q966 HydrophobicContact CD2-CB 4.39Å |
| 922 | Y | 89.2 | Confident | 80.6 | Confident | 22 Ų | 22 | 51 Ų | 51 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.4 | -178.5 | -64.1 | -114.8 | 0 | 0 | 0 | 107.6 | D920 S935 M936 L964 Y965 W967 H973 I1497 | D920-Y922 HydrophobicContact CB-CE2 3.8Å; Y922-S935 CarbonylContact C-O 3.38Å; Y922-S935 WeakPolarHBondContact CA-O 3.29Å; Y922-M936 HydrophobicContact CD1-CB 4.38Å; Y922-M936 HydrophobicContact CD1-CE 4.29Å; Y922-M936 HydrophobicContact CD1-CG 3.95Å; Y922-M936 HydrophobicContact CD1-SD 4.5Å; Y922-M936 HydrophobicContact CD2-CG 4.12Å; Y922-M936 HydrophobicContact CE1-CE 3.54Å; Y922-M936 HydrophobicContact CE1-CG 3.88Å; Y922-M936 HydrophobicContact CE1-SD 3.82Å; Y922-M936 HydrophobicContact CE2-CG 3.98Å; Y922-M936 HydrophobicContact CE2-SD 4.11Å; Y922-M936 HydrophobicContact CG-CG 4.07Å; Y922-M936 VanDerWaalsContact CZ-SD 3.58Å; Y922-L964 WeakPolarHBondContact O-CA 3.34Å; Y922-Y965 PolarHBondContact N-O 3.12Å; Y922-Y965 PolarHBondContact O-N 3.1Å; Y922-W967 HydrophobicContact CD2-CB 4.01Å; Y922-W967 HydrophobicContact CE2-CB 3.27Å; Y922-W967 HydrophobicContact CE2-CG 4.22Å; Y922-H973 AromaticContact CE1-CE1 3.86Å; Y922-I1497 HydrophobicContact CD1-CD1 4.44Å; Y922-I1497 HydrophobicContact CE1-CD1 3.94Å |
| 923 | C | 91.9 | Very high | 81.6 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.9 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | R934 S935 W946 L964 | C923-R934 CarbonylContact O-C 3.59Å; C923-R934 VanDerWaalsContact O-CA 3.3Å; C923-R934 WeakPolarHBondContact O-CA 3.17Å; C923-S935 PolarHBondContact N-O 2.93Å; C923-S935 PolarHBondContact O-N 3.41Å; C923-W946 HydrophobicContact CB-CH2 3.44Å; C923-W946 VanDerWaalsContact CB-CH2 3.44Å; C923-W946 HydrophobicContact CB-CZ2 3.52Å; C923-W946 HydrophobicContact CB-CZ3 4.27Å; C923-L964 HydrophobicContact CB-CD2 3.56Å |
| 924 | V | 94.5 | Very high | 83 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.4 | 168 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | E926 R931 R934 L963 Y965 | V924-E926 HydrophobicContact CG1-CG 3.95Å; V924-R931 HydrophobicContact CG1-CG 3.81Å; V924-R934 HydrophobicContact CG1-CG 4.46Å; V924-R934 HydrophobicContact CG2-CG 4.44Å; V924-L963 HydrophobicContact CB-CB 4.45Å; V924-L963 PolarHBondContact N-O 3.02Å; V924-L963 PolarHBondContact O-N 3.35Å; V924-Y965 HydrophobicContact CB-CE2 4.22Å; V924-Y965 HydrophobicContact CG2-CD2 4.02Å; V924-Y965 HydrophobicContact CG2-CE2 3.85Å |
| 925 | I | 95.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.1 | 179.2 | -63.7 | 149.8 | 0 | 0 | 0 | 107.9 | L903 K932 A933 F950 L952 L960 | L903-I925 HydrophobicContact CD2-CD1 3.71Å; L903-I925 HydrophobicContact CD2-CG1 3.96Å; L903-I925 HydrophobicContact CD2-CG2 3.75Å; I925-K932 PolarHBondContact O-N 3.02Å; I925-A933 HydrophobicContact CB-CB 4.17Å; I925-A933 HydrophobicContact CD1-CB 3.87Å; I925-A933 PolarHBondContact N-O 2.9Å; I925-A933 PolarHBondContact O-N 3.29Å; I925-F950 HydrophobicContact CD1-CD2 3.75Å; I925-F950 HydrophobicContact CD1-CE2 3.96Å; I925-F950 HydrophobicContact CD1-CG 4.33Å; I925-L952 HydrophobicContact CG2-CD1 3.77Å; I925-L960 HydrophobicContact CG2-CD1 3.78Å |
| 926 | E | 94.8 | Very high | 86.1 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.1 | -177.4 | -54 | -170.9 | 160.4 | 0 | 0 | 110.3 | V924 V930 R931 A961 L963 | V924-E926 HydrophobicContact CG1-CG 3.95Å; E926-V930 CarbonylContact C-O 3.56Å; E926-V930 WeakPolarHBondContact CA-O 3.41Å; E926-R931 HydrophobicContact CG-CG 3.73Å; E926-R931 WeakPolarHBondContact OE1-CG 3.03Å; E926-R931 IonicContact OE1-CZ 2.78Å; E926-R931 IonicContact OE1-NE 2.73Å; E926-R931 PolarHBondContact OE1-NE 2.98Å; E926-R931 IonicContact OE1-NH2 3.13Å; E926-R931 PolarHBondContact OE1-NH2 3.15Å; E926-A961 HydrophobicContact CB-CB 4.41Å; E926-A961 PolarHBondContact N-O 2.92Å; E926-A961 PolarHBondContact O-N 3.05Å; E926-L963 HydrophobicContact CB-CD1 4.25Å; E926-L963 HydrophobicContact CG-CD1 3.68Å |
| 927 | M | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.6 | 170 | -72.9 | 175.8 | 156 | 0 | 0 | 108.3 | F901 S929 V930 K932 L952 M954 N957 F959 L960 L983 | F901-M927 HydrophobicContact CB-CE 3.89Å; F901-M927 HydrophobicContact CD1-CE 3.6Å; F901-M927 HydrophobicContact CE1-CE 4.23Å; F901-M927 HydrophobicContact CG-CE 3.82Å; M927-S929 PolarHBondContact O-N 3.22Å; M927-V930 PolarHBondContact N-O 3.38Å; M927-V930 WeakPolarHBondContact O-CA 3.5Å; M927-V930 WeakPolarHBondContact O-CB 3.27Å; M927-V930 PolarHBondContact O-N 3.06Å; M927-K932 HydrophobicContact CB-CG 4.03Å; M927-K932 HydrophobicContact CG-CG 4.08Å; M927-K932 HydrophobicContact SD-CD 4.36Å; M927-K932 HydrophobicContact SD-CG 4.02Å; M927-L952 HydrophobicContact CE-CB 3.82Å; M927-L952 HydrophobicContact CE-CD1 3.84Å; M927-L952 HydrophobicContact CE-CG 4.49Å; M927-L952 HydrophobicContact SD-CB 4.12Å; M927-L952 HydrophobicContact SD-CD1 4.49Å; M927-M954 HydrophobicContact CE-CG 3.94Å; M927-M954 HydrophobicContact SD-CG 4.22Å; M927-N957 HydrophobicContact CB-CB 4.45Å; M927-F959 CarbonylContact C-O 3.58Å; M927-F959 WeakPolarHBondContact CA-O 3.49Å; M927-L960 HydrophobicContact CE-CD1 4.31Å; M927-L960 HydrophobicContact CG-CD1 4.02Å; M927-L983 HydrophobicContact CE-CD1 4.4Å |
| 928 | D | 91.1 | Very high | 88.4 | Confident | 57 Ų | 57 | 35.5 Ų | 35.5 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 40.2 | -173.5 | -56.5 | -62.3 | 0 | 0 | 0 | 113.4 | V930 N957 R958 F959 | D928-V930 VanDerWaalsContact C-N 3.25Å; D928-V930 PolarHBondContact O-N 3.47Å; D928-N957 WeakPolarHBondContact OD2-CA 3.48Å; D928-N957 WeakPolarHBondContact OD2-CB 3.46Å; D928-N957 PolarHBondContact OD2-ND2 3.32Å; D928-R958 PolarHBondContact OD1-N 3.42Å; D928-R958 PolarHBondContact OD2-N 3.05Å; D928-F959 PolarHBondContact N-O 3.41Å; D928-F959 WeakPolarHBondContact OD1-CB 3.19Å; D928-F959 PolarHBondContact OD1-N 3.11Å |
| 929 | S | 90.2 | Very high | 89.3 | Confident | 92 Ų | 92 | 32.8 Ų | 32.8 | 64% | 0.643 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 2 | -174.4 | -28.3 | 0 | 0 | 0 | 0 | 115.9 | M927 | M927-S929 PolarHBondContact O-N 3.22Š|
| 930 | V | 89.5 | Confident | 89.7 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 29% | 0.285 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.5 | 168.6 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | E926 M927 D928 K932 R1127 | E926-V930 CarbonylContact C-O 3.56Å; E926-V930 WeakPolarHBondContact CA-O 3.41Å; M927-V930 PolarHBondContact N-O 3.38Å; M927-V930 WeakPolarHBondContact O-CA 3.5Å; M927-V930 WeakPolarHBondContact O-CB 3.27Å; M927-V930 PolarHBondContact O-N 3.06Å; D928-V930 VanDerWaalsContact C-N 3.25Å; D928-V930 PolarHBondContact O-N 3.47Å; V930-K932 PolarHBondContact O-N 3.11Å; V930-R1127 VanDerWaalsContact CG1-NH2 3.34Å |
| 931 | R | 92.4 | Very high | 89.7 | Confident | 99 Ų | 99 | 37.7 Ų | 37.7 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 124.8 | 170.7 | -70.6 | 173.5 | -177 | 161.7 | 8.7 | 110.8 | V924 E926 L1128 | V924-R931 HydrophobicContact CG1-CG 3.81Å; E926-R931 HydrophobicContact CG-CG 3.73Å; E926-R931 WeakPolarHBondContact OE1-CG 3.03Å; E926-R931 IonicContact OE1-CZ 2.78Å; E926-R931 IonicContact OE1-NE 2.73Å; E926-R931 PolarHBondContact OE1-NE 2.98Å; E926-R931 IonicContact OE1-NH2 3.13Å; E926-R931 PolarHBondContact OE1-NH2 3.15Å; R931-L1128 HydrophobicContact CB-CD2 3.99Å; R931-L1128 WeakPolarHBondContact O-CD2 3.18Å |
| 932 | K | 93.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | -27.4 | -179.9 | -67.1 | -84.4 | -174.4 | 168.7 | 0 | 112.9 | I925 M927 V930 L952 D953 L1128 A1129 | I925-K932 PolarHBondContact O-N 3.02Å; M927-K932 HydrophobicContact CB-CG 4.03Å; M927-K932 HydrophobicContact CG-CG 4.08Å; M927-K932 HydrophobicContact SD-CD 4.36Å; M927-K932 HydrophobicContact SD-CG 4.02Å; V930-K932 PolarHBondContact O-N 3.11Å; K932-L952 HydrophobicContact CB-CD2 4.05Å; K932-D953 WeakPolarHBondContact CE-O 3.03Å; K932-D953 PolarHBondContact NZ-O 3.49Å; K932-L1128 CarbonylContact O-C 3.53Å; K932-L1128 WeakPolarHBondContact O-CA 3.27Å; K932-A1129 PolarHBondContact O-N 2.82Å |
| 933 | A | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 162.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I925 F950 L952 A1129 | I925-A933 HydrophobicContact CB-CB 4.17Å; I925-A933 HydrophobicContact CD1-CB 3.87Å; I925-A933 PolarHBondContact N-O 2.9Å; I925-A933 PolarHBondContact O-N 3.29Å; A933-F950 HydrophobicContact CB-CB 4.31Å; A933-F950 HydrophobicContact CB-CD1 3.57Å; A933-F950 HydrophobicContact CB-CE1 4.03Å; A933-F950 HydrophobicContact CB-CG 3.87Å; A933-L952 HydrophobicContact CB-CD2 3.82Å; A933-A1129 HydrophobicContact CB-CB 4.43Å |
| 934 | R | 91.9 | Very high | 89 | Confident | 82 Ų | 82 | 43 Ų | 43 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 147.3 | 175 | -58.5 | -174.7 | -164.7 | 159.8 | 11 | 110.7 | C923 V924 | C923-R934 CarbonylContact O-C 3.59Å; C923-R934 VanDerWaalsContact O-CA 3.3Å; C923-R934 WeakPolarHBondContact O-CA 3.17Å; V924-R934 HydrophobicContact CG1-CG 4.46Å; V924-R934 HydrophobicContact CG2-CG 4.44Å |
| 935 | S | 90.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 163.8 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | Y922 C923 W946 E948 | Y922-S935 CarbonylContact C-O 3.38Å; Y922-S935 WeakPolarHBondContact CA-O 3.29Å; C923-S935 PolarHBondContact N-O 2.93Å; C923-S935 PolarHBondContact O-N 3.41Å; S935-W946 WeakPolarHBondContact OG-CZ2 3.49Å; S935-W946 PolarHBondContact OG-NE1 3.21Å; S935-E948 WeakPolarHBondContact CB-OE2 3.47Å; S935-E948 PolarHBondContact OG-OE2 3.28Å |
| 936 | M | 88.1 | Confident | 88.4 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 136.6 | 173.8 | -164.6 | -159.9 | -38.5 | 0 | 0 | 110.8 | L921 Y922 I1497 | L921-M936 CarbonylContact O-C 3.59Å; L921-M936 WeakPolarHBondContact O-CA 3.46Å; Y922-M936 HydrophobicContact CD1-CB 4.38Å; Y922-M936 HydrophobicContact CD1-CE 4.29Å; Y922-M936 HydrophobicContact CD1-CG 3.95Å; Y922-M936 HydrophobicContact CD1-SD 4.5Å; Y922-M936 HydrophobicContact CD2-CG 4.12Å; Y922-M936 HydrophobicContact CE1-CE 3.54Å; Y922-M936 HydrophobicContact CE1-CG 3.88Å; Y922-M936 HydrophobicContact CE1-SD 3.82Å; Y922-M936 HydrophobicContact CE2-CG 3.98Å; Y922-M936 HydrophobicContact CE2-SD 4.11Å; Y922-M936 HydrophobicContact CG-CG 4.07Å; Y922-M936 VanDerWaalsContact CZ-SD 3.58Å; M936-I1497 HydrophobicContact CE-CD1 4.2Å |
| 937 | I | 87.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.1 | 169.7 | -169.3 | 157.1 | 0 | 0 | 0 | 111.5 | L921 F944 E945 W946 | L921-I937 HydrophobicContact CB-CG2 3.98Å; L921-I937 PolarHBondContact N-O 2.93Å; L921-I937 PolarHBondContact O-N 3.08Å; I937-F944 HydrophobicContact CD1-CD2 3.67Å; I937-F944 HydrophobicContact CD1-CE2 4.04Å; I937-F944 HydrophobicContact CG1-CD2 4.5Å; I937-F944 HydrophobicContact CG2-CD2 4.46Å; I937-F944 HydrophobicContact CG2-CE2 3.81Å; I937-F944 HydrophobicContact CG2-CZ 4.32Å; I937-E945 VanDerWaalsContact CD1-O 3.25Å; I937-E945 WeakPolarHBondContact CD1-O 3.44Å; I937-W946 HydrophobicContact CB-CD2 4.35Å; I937-W946 HydrophobicContact CB-CH2 4.33Å; I937-W946 HydrophobicContact CB-CZ2 4.1Å; I937-W946 HydrophobicContact CD1-CB 4.36Å; I937-W946 HydrophobicContact CD1-CG 4.33Å; I937-W946 HydrophobicContact CG2-CD2 4.03Å; I937-W946 HydrophobicContact CG2-CE3 3.82Å; I937-W946 HydrophobicContact CG2-CH2 3.48Å; I937-W946 VanDerWaalsContact CG2-CH2 3.48Å; I937-W946 HydrophobicContact CG2-CZ2 3.76Å; I937-W946 HydrophobicContact CG2-CZ3 3.54Å |
| 938 | R | 84.7 | Confident | 88 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 50% | 0.502 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 112 | 175.5 | -170.5 | 175.3 | -141.5 | 82.9 | 18.2 | 109.1 | V918 R919 D920 | V918-R938 HydrophobicContact CG1-CG 3.67Å; R919-R938 WeakPolarHBondContact O-CA 3.44Å; D920-R938 IonicContact OD1-CZ 3.81Å; D920-R938 IonicContact OD1-NE 3.43Å; D920-R938 IonicContact OD1-NH1 3.14Å; D920-R938 PolarHBondContact OD1-NH1 2.88Å; D920-R938 VanDerWaalsContact OD1-NH1 3.13Å; D920-R938 IonicContact OD1-NH2 3.67Å; D920-R938 PolarHBondContact OD1-NH2 2.96Å; D920-R938 IonicContact OD2-CZ 2.8Å; D920-R938 IonicContact OD2-NH1 3.4Å; D920-R938 PolarHBondContact OD2-NH1 2.86Å; D920-R938 IonicContact OD2-NH2 3.04Å; D920-R938 PolarHBondContact OD2-NH2 2.89Å |
| 939 | T | 82.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.4 | -170.4 | 179.8 | 0 | 0 | 0 | 0 | 113.5 | R919 L921 T941 F944 | R919-T939 PolarHBondContact N-O 2.84Å; R919-T939 PolarHBondContact O-N 3.42Å; L921-T939 HydrophobicContact CD1-CG2 4.13Å; T939-T941 PolarHBondContact OG1-N 2.95Å; T939-T941 PolarHBondContact OG1-OG1 3.48Å; T939-F944 HydrophobicContact CG2-CD1 3.67Å; T939-F944 HydrophobicContact CG2-CD2 4.38Å; T939-F944 HydrophobicContact CG2-CE1 3.7Å; T939-F944 HydrophobicContact CG2-CE2 4.39Å; T939-F944 HydrophobicContact CG2-CG 4.03Å; T939-F944 HydrophobicContact CG2-CZ 4.06Å |
| 940 | S | 79.3 | Confident | 88.2 | Confident | 68 Ų | 68 | 43.9 Ų | 43.9 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | trans | -103.3 | -18 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | I917 | I917-S940 WeakPolarHBondContact O-CA 3.4Å; I917-S940 WeakPolarHBondContact O-CB 3.27Å | ||
| 941 | T | 81.3 | Confident | 88.3 | Confident | 64 Ų | 64 | 42.6 Ų | 42.6 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -89.4 | 163.2 | -166.7 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | R919 T939 Y943 | R919-T941 PolarHBondContact NH1-O 3.23Å; T939-T941 PolarHBondContact OG1-N 2.95Å; T939-T941 PolarHBondContact OG1-OG1 3.48Å; T941-Y943 WeakPolarHBondContact CB-O 3.48Å; T941-Y943 PolarHBondContact OG1-O 2.85Å |
| 942 | S | 80.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 38 Ų | 38 | 51% | 0.51 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -83.1 | -15.7 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | K909 G910 | K909-S942 CarbonylContact C-O 3.55Å; K909-S942 WeakPolarHBondContact CA-O 3.48Å; G910-S942 PolarHBondContact N-O 3.32Å |
| 943 | Y | 85.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.5 | 168.9 | 170.4 | -85.7 | 0 | 0 | 0 | 107.9 | L839 F843 A907 G908 K909 T941 E945 Y1033 | L839-Y943 HydrophobicContact CD1-CD1 4.49Å; L839-Y943 HydrophobicContact CD1-CE1 4.1Å; L839-Y943 HydrophobicContact CD2-CE1 4.02Å; F843-Y943 HydrophobicContact CE2-CE2 4.12Å; F843-Y943 VanDerWaalsContact CE2-OH 3.22Å; F843-Y943 WeakPolarHBondContact CE2-OH 3.22Å; F843-Y943 HydrophobicContact CZ-CE2 4.5Å; F843-Y943 VanDerWaalsContact CZ-OH 3.26Å; F843-Y943 WeakPolarHBondContact CZ-OH 3.47Å; A907-Y943 HydrophobicContact CB-CE2 3.92Å; G908-Y943 WeakPolarHBondContact O-CA 3.3Å; K909-Y943 HydrophobicContact CB-CD2 4.14Å; K909-Y943 HydrophobicContact CD-CD2 4.43Å; K909-Y943 HydrophobicContact CG-CD2 4.32Å; T941-Y943 WeakPolarHBondContact CB-O 3.48Å; T941-Y943 PolarHBondContact OG1-O 2.85Å; Y943-E945 HydrophobicContact CE1-CG 4.13Å; Y943-Y1033 HydrophobicContact CE2-CE2 4.3Å |
| 944 | F | 87.3 | Confident | 87.9 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 6% | 0.057 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 148.2 | 178 | 57.3 | -92.3 | 0 | 0 | 0 | 110.7 | A907 G908 L911 L921 I937 T939 W946 | A907-F944 CarbonylContact C-O 3.44Å; A907-F944 VanDerWaalsContact CA-O 3.22Å; A907-F944 WeakPolarHBondContact CA-O 3.49Å; A907-F944 VanDerWaalsContact CB-O 3.31Å; A907-F944 WeakPolarHBondContact CB-O 3.38Å; G908-F944 PolarHBondContact N-O 3.09Å; G908-F944 PolarHBondContact O-N 2.94Å; L911-F944 HydrophobicContact CB-CE1 4.33Å; L911-F944 HydrophobicContact CD1-CE1 4.01Å; L911-F944 HydrophobicContact CD1-CZ 3.69Å; L921-F944 HydrophobicContact CD1-CE1 4.11Å; L921-F944 HydrophobicContact CD1-CZ 3.8Å; I937-F944 HydrophobicContact CD1-CD2 3.67Å; I937-F944 HydrophobicContact CD1-CE2 4.04Å; I937-F944 HydrophobicContact CG1-CD2 4.5Å; I937-F944 HydrophobicContact CG2-CD2 4.46Å; I937-F944 HydrophobicContact CG2-CE2 3.81Å; I937-F944 HydrophobicContact CG2-CZ 4.32Å; T939-F944 HydrophobicContact CG2-CD1 3.67Å; T939-F944 HydrophobicContact CG2-CD2 4.38Å; T939-F944 HydrophobicContact CG2-CE1 3.7Å; T939-F944 HydrophobicContact CG2-CE2 4.39Å; T939-F944 HydrophobicContact CG2-CG 4.03Å; T939-F944 HydrophobicContact CG2-CZ 4.06Å; F944-W946 HydrophobicContact CE2-CD2 4.5Å; F944-W946 AromaticContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CZ3 4.16Å; F944-W946 HydrophobicContact CZ-CE3 4.36Å; F944-W946 HydrophobicContact CZ-CZ3 4.44Å |
| 945 | E | 88.4 | Confident | 87.6 | Confident | 97 Ų | 97 | 37.5 Ų | 37.5 | 45% | 0.453 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 136.5 | 171.3 | -67.9 | 169.5 | 179 | 0 | 0 | 108.3 | R842 A907 I937 Y943 | R842-E945 IonicContact NH1-OE1 3.46Å; R842-E945 PolarHBondContact NH1-OE1 3.08Å; A907-E945 HydrophobicContact CB-CG 4.44Å; I937-E945 VanDerWaalsContact CD1-O 3.25Å; I937-E945 WeakPolarHBondContact CD1-O 3.44Å; Y943-E945 HydrophobicContact CE1-CG 4.13Å |
| 946 | W | 89.6 | Confident | 87.3 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -45.7 | 178.7 | -163.8 | -47.3 | 0 | 0 | 0 | 109.7 | V905 I906 L921 C923 S935 I937 F944 E948 L964 L1032 | V905-W946 HydrophobicContact CB-CG 4.37Å; V905-W946 HydrophobicContact CG1-CB 4.03Å; V905-W946 HydrophobicContact CG1-CD2 3.91Å; V905-W946 HydrophobicContact CG1-CE3 4.15Å; V905-W946 HydrophobicContact CG1-CG 3.79Å; I906-W946 PolarHBondContact O-N 3.23Å; L921-W946 HydrophobicContact CB-CH2 4.43Å; C923-W946 HydrophobicContact CB-CH2 3.44Å; C923-W946 VanDerWaalsContact CB-CH2 3.44Å; C923-W946 HydrophobicContact CB-CZ2 3.52Å; C923-W946 HydrophobicContact CB-CZ3 4.27Å; S935-W946 WeakPolarHBondContact OG-CZ2 3.49Å; S935-W946 PolarHBondContact OG-NE1 3.21Å; I937-W946 HydrophobicContact CB-CD2 4.35Å; I937-W946 HydrophobicContact CB-CH2 4.33Å; I937-W946 HydrophobicContact CB-CZ2 4.1Å; I937-W946 HydrophobicContact CD1-CB 4.36Å; I937-W946 HydrophobicContact CD1-CG 4.33Å; I937-W946 HydrophobicContact CG2-CD2 4.03Å; I937-W946 HydrophobicContact CG2-CE3 3.82Å; I937-W946 HydrophobicContact CG2-CH2 3.48Å; I937-W946 VanDerWaalsContact CG2-CH2 3.48Å; I937-W946 HydrophobicContact CG2-CZ2 3.76Å; I937-W946 HydrophobicContact CG2-CZ3 3.54Å; F944-W946 HydrophobicContact CE2-CD2 4.5Å; F944-W946 AromaticContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CE3 3.7Å; F944-W946 HydrophobicContact CE2-CZ3 4.16Å; F944-W946 HydrophobicContact CZ-CE3 4.36Å; F944-W946 HydrophobicContact CZ-CZ3 4.44Å; W946-E948 PolarHBondContact O-N 3.03Å; W946-L964 HydrophobicContact CH2-CD2 4.2Å; W946-L964 HydrophobicContact CZ3-CD2 4.1Å; W946-L1032 HydrophobicContact CE3-CD1 4.47Å |
| 947 | N | 89.6 | Confident | 87.3 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.4 | 43.3 | 173.7 | -160.7 | 24.4 | 0 | 0 | 0 | 116.4 | E753 H904 V905 I906 W1133 | E753-N947 PolarHBondContact OE2-ND2 3.24Å; H904-N947 PolarHBondContact NE2-OD1 3.25Å; V905-N947 WeakPolarHBondContact O-CA 3.29Å; V905-N947 PolarHBondContact O-N 2.95Å; I906-N947 PolarHBondContact O-N 2.96Å; N947-W1133 PolarHBondContact O-NE1 3.17Å |
| 948 | E | 90.2 | Very high | 87.4 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.8 | 173.6 | -73.8 | -171 | 171.8 | 0 | 0 | 112.1 | V905 S935 W946 F950 | V905-E948 PolarHBondContact N-O 2.85Å; V905-E948 PolarHBondContact O-N 3.17Å; V905-E948 VanDerWaalsContact O-N 3.12Å; S935-E948 WeakPolarHBondContact CB-OE2 3.47Å; S935-E948 PolarHBondContact OG-OE2 3.28Å; W946-E948 PolarHBondContact O-N 3.03Å; E948-F950 HydrophobicContact CB-CE2 3.86Å; E948-F950 HydrophobicContact CB-CZ 4.03Å; E948-F950 WeakPolarHBondContact OE2-CZ 3.06Å |
| 949 | V | 91.6 | Very high | 87.8 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.1 | 179.2 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | I902 L903 H904 V1132 | I902-V949 HydrophobicContact CG2-CG1 3.68Å; L903-V949 WeakPolarHBondContact O-CA 3.14Å; H904-V949 HydrophobicContact CB-CG2 4Å; H904-V949 VanDerWaalsContact CD2-CG2 3.46Å; H904-V949 WeakPolarHBondContact CD2-CG2 3.3Å; V949-V1132 HydrophobicContact CB-CB 4.08Å; V949-V1132 HydrophobicContact CB-CG2 4.32Å; V949-V1132 HydrophobicContact CG1-CB 4.3Å; V949-V1132 HydrophobicContact CG1-CG2 4.13Å; V949-V1132 WeakPolarHBondContact O-CB 3.38Å; V949-V1132 VanDerWaalsContact O-CG2 3.27Å; V949-V1132 WeakPolarHBondContact O-CG2 3.24Å; V949-V1132 PolarHBondContact O-N 2.75Å |
| 950 | F | 93.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138 | 176.2 | -59.6 | -81 | 0 | 0 | 0 | 111.1 | I902 L903 V905 I925 A933 E948 L952 | I902-F950 WeakPolarHBondContact CA-O 3.15Å; L903-F950 PolarHBondContact N-O 3.31Å; L903-F950 PolarHBondContact O-N 2.98Å; V905-F950 HydrophobicContact CG2-CE2 4.5Å; I925-F950 HydrophobicContact CD1-CD2 3.75Å; I925-F950 HydrophobicContact CD1-CE2 3.96Å; I925-F950 HydrophobicContact CD1-CG 4.33Å; A933-F950 HydrophobicContact CB-CB 4.31Å; A933-F950 HydrophobicContact CB-CD1 3.57Å; A933-F950 HydrophobicContact CB-CE1 4.03Å; A933-F950 HydrophobicContact CB-CG 3.87Å; E948-F950 HydrophobicContact CB-CE2 3.86Å; E948-F950 HydrophobicContact CB-CZ 4.03Å; E948-F950 WeakPolarHBondContact OE2-CZ 3.06Å; F950-L952 HydrophobicContact CB-CD2 3.73Å; F950-L952 HydrophobicContact CB-CG 4.25Å |
| 951 | E | 91.4 | Very high | 89.2 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.8 | 168.7 | -75.2 | 171.1 | -135.5 | 0 | 0 | 108.7 | L900 I902 A1129 V1132 K1135 | L900-E951 HydrophobicContact CD1-CB 4.16Å; L900-E951 HydrophobicContact CD2-CB 4.22Å; L900-E951 HydrophobicContact CD2-CG 4.11Å; L900-E951 HydrophobicContact CG-CB 4.36Å; I902-E951 HydrophobicContact CG1-CG 4.44Å; E951-A1129 WeakPolarHBondContact O-CB 3.43Å; E951-V1132 HydrophobicContact CB-CG2 4.41Å; E951-V1132 HydrophobicContact CG-CG2 3.83Å; E951-K1135 IonicContact OE1-NZ 2.7Å; E951-K1135 PolarHBondContact OE1-NZ 2.79Å; E951-K1135 IonicContact OE2-NZ 2.74Å; E951-K1135 PolarHBondContact OE2-NZ 2.89Å |
| 952 | L | 93.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118 | -172.3 | -49.6 | -179.1 | 0 | 0 | 0 | 109.8 | F901 L903 I925 M927 K932 A933 F950 M954 A1129 | F901-L952 HydrophobicContact CB-CB 4.49Å; F901-L952 HydrophobicContact CD1-CD1 4.22Å; F901-L952 PolarHBondContact N-O 3.01Å; F901-L952 PolarHBondContact O-N 3.24Å; L903-L952 HydrophobicContact CB-CD1 4.19Å; L903-L952 HydrophobicContact CD2-CD1 4.04Å; I925-L952 HydrophobicContact CG2-CD1 3.77Å; M927-L952 HydrophobicContact CE-CB 3.82Å; M927-L952 HydrophobicContact CE-CD1 3.84Å; M927-L952 HydrophobicContact CE-CG 4.49Å; M927-L952 HydrophobicContact SD-CB 4.12Å; M927-L952 HydrophobicContact SD-CD1 4.49Å; K932-L952 HydrophobicContact CB-CD2 4.05Å; A933-L952 HydrophobicContact CB-CD2 3.82Å; F950-L952 HydrophobicContact CB-CD2 3.73Å; F950-L952 HydrophobicContact CB-CG 4.25Å; L952-M954 PolarHBondContact O-N 2.93Å; L952-A1129 HydrophobicContact CD2-CB 3.88Å |
| 953 | D | 90.4 | Very high | 90.5 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 21% | 0.214 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 125.8 | 174.7 | -56.8 | -54.5 | 0 | 0 | 0 | 109.9 | K932 K1186 | K932-D953 WeakPolarHBondContact CE-O 3.03Å; K932-D953 PolarHBondContact NZ-O 3.49Å; D953-K1186 IonicContact OD2-NZ 3.54Å; D953-K1186 PolarHBondContact OD2-NZ 3.35Å |
| 954 | M | 88.3 | Confident | 90.9 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 4% | 0.044 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.2 | 175.6 | -69.6 | -169.5 | 74.9 | 0 | 0 | 111.7 | L897 G899 F901 M927 L952 N957 L983 | L897-M954 HydrophobicContact CB-CE 3.46Å; L897-M954 VanDerWaalsContact CB-CE 3.46Å; L897-M954 HydrophobicContact CB-SD 4.45Å; L897-M954 HydrophobicContact CD1-CE 4.02Å; L897-M954 HydrophobicContact CG-CE 4.4Å; G899-M954 PolarHBondContact N-O 3.22Å; G899-M954 PolarHBondContact O-N 3.35Å; F901-M954 HydrophobicContact CB-CG 3.69Å; F901-M954 HydrophobicContact CB-SD 3.66Å; F901-M954 HydrophobicContact CD2-SD 3.91Å; F901-M954 HydrophobicContact CG-SD 4.11Å; M927-M954 HydrophobicContact CE-CG 3.94Å; M927-M954 HydrophobicContact SD-CG 4.22Å; L952-M954 PolarHBondContact O-N 2.93Å; M954-N957 WeakPolarHBondContact CA-OD1 3.41Å; M954-N957 HydrophobicContact CE-CB 3.69Å; M954-L983 HydrophobicContact CE-CD1 3.59Å |
| 955 | E | 86.4 | Confident | 91.1 | Very high | 44 Ų | 44 | 28.4 Ų | 28.4 | 21% | 0.206 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -128.4 | 105.9 | 168 | -171.8 | 178.3 | -172.2 | 0 | 0 | 109.9 | N898 N957 T1265 P1289 R1290 | N898-E955 VanDerWaalsContact OD1-CA 3.27Å; N898-E955 WeakPolarHBondContact OD1-CA 3.36Å; E955-N957 PolarHBondContact N-OD1 3.16Å; E955-N957 VanDerWaalsContact O-CG 3.31Å; E955-N957 PolarHBondContact O-N 3.18Å; E955-N957 PolarHBondContact O-OD1 3.21Å; E955-T1265 WeakPolarHBondContact OE2-CG2 3.32Å; E955-P1289 HydrophobicContact CG-CB 4.12Å; E955-R1290 VanDerWaalsContact OE1-CG 3.25Å; E955-R1290 WeakPolarHBondContact OE1-CG 3.38Å; E955-R1290 PolarHBondContact OE1-N 3.41Å |
| 956 | D | 84.3 | Confident | 90.9 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 47.8 | 20.6 | -175.2 | -55.6 | -37.5 | 0 | 0 | 0 | 115.4 | N896 L897 N898 R958 R1290 | N896-D956 HydrophobicContact CB-CB 4.49Å; N896-D956 VanDerWaalsContact CB-OD1 3.26Å; N896-D956 WeakPolarHBondContact CB-OD1 3.48Å; N896-D956 PolarHBondContact ND2-OD1 3.25Å; L897-D956 PolarHBondContact O-N 3.23Å; N898-D956 PolarHBondContact ND2-OD1 3.16Å; N898-D956 PolarHBondContact OD1-N 2.85Å; N898-D956 PolarHBondContact OD1-OD1 3.14Å; D956-R958 WeakPolarHBondContact O-CG 3.27Å; D956-R1290 IonicContact OD2-CZ 2.68Å; D956-R1290 IonicContact OD2-NE 2.76Å; D956-R1290 PolarHBondContact OD2-NE 2.84Å; D956-R1290 IonicContact OD2-NH2 2.74Å; D956-R1290 PolarHBondContact OD2-NH2 3.36Å |
| 957 | N | 88.6 | Confident | 90.2 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.08 | 13% | 0.126 | C | C | . | . | trans | -70.4 | 142.3 | -163.5 | -76 | 122.4 | 0 | 0 | 0 | 112.6 | L897 M927 D928 M954 E955 | L897-N957 PolarHBondContact O-N 3.41Å; M927-N957 HydrophobicContact CB-CB 4.45Å; D928-N957 WeakPolarHBondContact OD2-CA 3.48Å; D928-N957 WeakPolarHBondContact OD2-CB 3.46Å; D928-N957 PolarHBondContact OD2-ND2 3.32Å; M954-N957 WeakPolarHBondContact CA-OD1 3.41Å; M954-N957 HydrophobicContact CE-CB 3.69Å; E955-N957 PolarHBondContact N-OD1 3.16Å; E955-N957 VanDerWaalsContact O-CG 3.31Å; E955-N957 PolarHBondContact O-N 3.18Å; E955-N957 PolarHBondContact O-OD1 3.21Å | ||
| 958 | R | 89.6 | Confident | 89.3 | Confident | 152 Ų | 152 | 27.7 Ų | 27.7 | 57% | 0.574 | 12% | 0.124 | S | C | * | . | trans | -120.6 | -34.7 | -171.4 | -56.9 | -172.9 | -175.4 | -170.9 | 1.5 | 113.7 | D928 D956 L983 | D928-R958 PolarHBondContact OD1-N 3.42Å; D928-R958 PolarHBondContact OD2-N 3.05Å; D956-R958 WeakPolarHBondContact O-CG 3.27Å; R958-L983 WeakPolarHBondContact O-CB 3.25Å; R958-L983 PolarHBondContact O-N 2.9Å | ||
| 959 | F | 92.5 | Very high | 88.3 | Confident | 19 Ų | 19 | 31 Ų | 31 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.2 | -174.1 | -164.2 | -92.2 | 0 | 0 | 0 | 111.8 | E852 C854 M927 D928 A961 Y978 I981 | E852-F959 HydrophobicContact CB-CE2 4.12Å; E852-F959 HydrophobicContact CB-CZ 4.47Å; C854-F959 HydrophobicContact CB-CD1 3.98Å; C854-F959 HydrophobicContact CB-CD2 4.47Å; C854-F959 HydrophobicContact CB-CE1 3.91Å; C854-F959 HydrophobicContact CB-CE2 4.4Å; C854-F959 HydrophobicContact CB-CG 4.26Å; C854-F959 HydrophobicContact CB-CZ 4.11Å; C854-F959 VanDerWaalsContact N-CZ 3.33Å; M927-F959 CarbonylContact C-O 3.58Å; M927-F959 WeakPolarHBondContact CA-O 3.49Å; D928-F959 PolarHBondContact N-O 3.41Å; D928-F959 WeakPolarHBondContact OD1-CB 3.19Å; D928-F959 PolarHBondContact OD1-N 3.11Å; F959-A961 HydrophobicContact CD1-CB 4.33Å; F959-A961 HydrophobicContact CE1-CB 4.12Å; F959-Y978 WeakPolarHBondContact CE1-OH 3.2Å; F959-I981 WeakPolarHBondContact CA-O 3.23Å |
| 960 | L | 94.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.4 | 171.4 | 177.9 | 67.4 | 0 | 0 | 0 | 109.3 | F901 I925 M927 G980 I981 L983 | F901-L960 HydrophobicContact CE1-CD2 3.81Å; F901-L960 HydrophobicContact CZ-CD2 3.94Å; I925-L960 HydrophobicContact CG2-CD1 3.78Å; M927-L960 HydrophobicContact CE-CD1 4.31Å; M927-L960 HydrophobicContact CG-CD1 4.02Å; L960-G980 CarbonylContact O-C 3.2Å; L960-G980 WeakPolarHBondContact O-CA 3.41Å; L960-I981 HydrophobicContact CB-CB 4.46Å; L960-I981 PolarHBondContact N-O 3.14Å; L960-I981 PolarHBondContact O-N 3.16Å; L960-L983 HydrophobicContact CB-CD1 4.16Å; L960-L983 HydrophobicContact CB-CD2 3.82Å; L960-L983 HydrophobicContact CB-CG 4.02Å; L960-L983 HydrophobicContact CD2-CD2 4.34Å |
| 961 | A | 95.7 | Very high | 86 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E926 F959 L963 Y978 G979 | E926-A961 HydrophobicContact CB-CB 4.41Å; E926-A961 PolarHBondContact N-O 2.92Å; E926-A961 PolarHBondContact O-N 3.05Å; F959-A961 HydrophobicContact CD1-CB 4.33Å; F959-A961 HydrophobicContact CE1-CB 4.12Å; A961-L963 HydrophobicContact CB-CD1 4.2Å; A961-Y978 HydrophobicContact CB-CE2 4.15Å; A961-G979 CarbonylContact C-O 3.54Å; A961-G979 WeakPolarHBondContact CA-O 3.45Å |
| 962 | V | 95.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.6 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | L964 Y978 G979 L1032 | V962-L964 HydrophobicContact CG1-CD2 4.21Å; V962-Y978 WeakPolarHBondContact O-CA 3.33Å; V962-G979 PolarHBondContact N-O 3.21Å; V962-G979 PolarHBondContact O-N 3.42Å; V962-L1032 HydrophobicContact CG1-CD2 3.76Å |
| 963 | L | 94.5 | Very high | 84.4 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.7 | -176.8 | -59.1 | 99 | 0 | 0 | 0 | 109.5 | V924 E926 A961 Y965 L975 Y978 | V924-L963 HydrophobicContact CB-CB 4.45Å; V924-L963 PolarHBondContact N-O 3.02Å; V924-L963 PolarHBondContact O-N 3.35Å; E926-L963 HydrophobicContact CB-CD1 4.25Å; E926-L963 HydrophobicContact CG-CD1 3.68Å; A961-L963 HydrophobicContact CB-CD1 4.2Å; L963-Y965 HydrophobicContact CB-CD2 4.35Å; L963-Y965 HydrophobicContact CB-CE2 3.66Å; L963-L975 HydrophobicContact CB-CD1 3.83Å; L963-L975 HydrophobicContact CD2-CD1 4.21Å; L963-L975 HydrophobicContact CD2-CD2 4.36Å; L963-L975 HydrophobicContact CG-CD1 4.49Å; L963-Y978 HydrophobicContact CD2-CD2 4.37Å; L963-Y978 HydrophobicContact CG-CD2 4.2Å |
| 964 | L | 93.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 108.4 | 177.8 | -56.7 | -172.9 | 0 | 0 | 0 | 110.2 | L911 Y922 C923 W946 V962 C976 F977 L1026 | L911-L964 HydrophobicContact CD1-CD1 3.74Å; L911-L964 HydrophobicContact CD2-CD1 4.15Å; Y922-L964 WeakPolarHBondContact O-CA 3.34Å; C923-L964 HydrophobicContact CB-CD2 3.56Å; W946-L964 HydrophobicContact CH2-CD2 4.2Å; W946-L964 HydrophobicContact CZ3-CD2 4.1Å; V962-L964 HydrophobicContact CG1-CD2 4.21Å; L964-C976 PolarHBondContact O-N 3.5Å; L964-F977 HydrophobicContact CB-CB 4.05Å; L964-F977 HydrophobicContact CB-CD2 3.99Å; L964-F977 HydrophobicContact CD1-CB 4.23Å; L964-F977 HydrophobicContact CD1-CD2 4.16Å; L964-F977 HydrophobicContact CG-CB 4.39Å; L964-F977 PolarHBondContact N-O 2.9Å; L964-F977 PolarHBondContact O-N 2.86Å; L964-F977 VanDerWaalsContact O-N 3.14Å; L964-L1026 HydrophobicContact CD1-CD1 3.59Å; L964-L1026 HydrophobicContact CG-CD1 4.26Å |
| 965 | Y | 90.7 | Very high | 84.1 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 140.1 | 174 | -60.3 | -99.6 | 0 | 0 | 0 | 110.5 | L921 Y922 V924 L963 H973 R974 L975 | L921-Y965 CarbonylContact C-O 3.53Å; L921-Y965 WeakPolarHBondContact CA-O 3.46Å; Y922-Y965 PolarHBondContact N-O 3.12Å; Y922-Y965 PolarHBondContact O-N 3.1Å; V924-Y965 HydrophobicContact CB-CE2 4.22Å; V924-Y965 HydrophobicContact CG2-CD2 4.02Å; V924-Y965 HydrophobicContact CG2-CE2 3.85Å; L963-Y965 HydrophobicContact CB-CD2 4.35Å; L963-Y965 HydrophobicContact CB-CE2 3.66Å; Y965-H973 HydrophobicContact CD1-CB 4.28Å; Y965-R974 CarbonylContact C-O 3.47Å; Y965-R974 WeakPolarHBondContact CA-O 3.49Å; Y965-L975 HydrophobicContact CD1-CB 3.97Å; Y965-L975 HydrophobicContact CD1-CD1 4.3Å; Y965-L975 HydrophobicContact CD2-CD1 4.34Å; Y965-L975 HydrophobicContact CE1-CB 3.84Å; Y965-L975 HydrophobicContact CE1-CD1 4.1Å; Y965-L975 HydrophobicContact CE2-CD1 4.16Å; Y965-L975 HydrophobicContact CG-CD1 4.41Å |
| 966 | Q | 85.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 135.6 | 162.4 | -175.3 | 176.7 | 1.9 | 0 | 0 | 109.1 | S913 D920 L921 H973 R974 C976 | S913-Q966 PolarHBondContact O-OE1 2.89Å; S913-Q966 PolarHBondContact OG-OE1 3.43Å; D920-Q966 WeakPolarHBondContact O-CA 3.1Å; L921-Q966 HydrophobicContact CD2-CB 4.39Å; Q966-H973 WeakPolarHBondContact O-CA 3.29Å; Q966-R974 PolarHBondContact N-O 3.32Å; Q966-R974 PolarHBondContact O-N 2.96Å; Q966-C976 VanDerWaalsContact CB-SG 3.57Å |
| 967 | W | 75.4 | Confident | 84.5 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.3 | 165.4 | -175.1 | 78 | 0 | 0 | 0 | 110.7 | D920 Y922 P969 H973 | D920-W967 PolarHBondContact O-N 2.97Å; D920-W967 VanDerWaalsContact O-N 3.15Å; Y922-W967 HydrophobicContact CD2-CB 4.01Å; Y922-W967 HydrophobicContact CE2-CB 3.27Å; Y922-W967 HydrophobicContact CE2-CG 4.22Å; W967-P969 HydrophobicContact CE3-CG 4.38Å; W967-P969 HydrophobicContact CH2-CG 3.69Å; W967-P969 HydrophobicContact CZ2-CG 4.13Å; W967-P969 HydrophobicContact CZ3-CG 3.82Å; W967-H973 AromaticContact CD1-CE1 3.43Å; W967-H973 VanDerWaalsContact CD1-CE1 3.43Å; W967-H973 AromaticContact CD1-ND1 3.77Å; W967-H973 AromaticContact CD1-NE2 3.56Å |
| 968 | D | 70.2 | Confident | 84.8 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.8 | 165.6 | 172.5 | -9.2 | 0 | 0 | 0 | 107 | R970 T971 K972 | D968-R970 PolarHBondContact O-N 3.34Å; D968-R970 WeakPolarHBondContact OD1-CB 3.27Å; D968-R970 PolarHBondContact OD1-N 3.43Å; D968-T971 PolarHBondContact O-N 3.47Å; D968-T971 VanDerWaalsContact O-N 3.12Å; D968-K972 WeakPolarHBondContact O-CA 3.33Å; D968-K972 PolarHBondContact O-N 2.97Å |
| 969 | P | 69.9 | Low | 85.1 | Confident | 93 Ų | 93 | 54 Ų | 54 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -27.9 | 174.8 | -28.2 | 33.3 | 0 | 0 | 0 | 114.9 | W967 | W967-P969 HydrophobicContact CE3-CG 4.38Å; W967-P969 HydrophobicContact CH2-CG 3.69Å; W967-P969 HydrophobicContact CZ2-CG 4.13Å; W967-P969 HydrophobicContact CZ3-CG 3.82Å |
| 970 | R | 70.8 | Confident | 85.2 | Confident | 209 Ų | 209 | 53.2 Ų | 53.2 | 79% | 0.789 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -37.1 | -178.6 | -61 | 174.7 | 171.4 | -178.8 | -3.4 | 113.7 | D968 | D968-R970 PolarHBondContact O-N 3.34Å; D968-R970 WeakPolarHBondContact OD1-CB 3.27Å; D968-R970 PolarHBondContact OD1-N 3.43Å |
| 971 | T | 65.6 | Low | 85.1 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 53% | 0.534 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -6.5 | -174.1 | 71.4 | 0 | 0 | 0 | 0 | 114.2 | D968 | D968-T971 PolarHBondContact O-N 3.47Å; D968-T971 VanDerWaalsContact O-N 3.12Å |
| 972 | K | 73 | Confident | 85 | Confident | 149 Ų | 149 | 55 Ų | 55 | 65% | 0.648 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 61.8 | -164.2 | -165.8 | -52.8 | -174.6 | 178.6 | -175.3 | 0 | 110.8 | D968 R974 | D968-K972 WeakPolarHBondContact O-CA 3.33Å; D968-K972 PolarHBondContact O-N 2.97Å; K972-R974 PolarHBondContact O-N 3.01Å |
| 973 | H | 77.2 | Confident | 84.7 | Confident | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 118 | 179.2 | -62.5 | -84 | 0 | 0 | 0 | 110.8 | Y922 Y965 Q966 W967 | Y922-H973 AromaticContact CE1-CE1 3.86Å; Y965-H973 HydrophobicContact CD1-CB 4.28Å; Q966-H973 WeakPolarHBondContact O-CA 3.29Å; W967-H973 AromaticContact CD1-CE1 3.43Å; W967-H973 VanDerWaalsContact CD1-CE1 3.43Å; W967-H973 AromaticContact CD1-ND1 3.77Å; W967-H973 AromaticContact CD1-NE2 3.56Å |
| 974 | R | 83.5 | Confident | 84.1 | Confident | 144 Ų | 144 | 59.1 Ų | 59.1 | 54% | 0.543 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.6 | 174.2 | 177.2 | -178.7 | 177.6 | 172.4 | 1.9 | 109.2 | Y965 Q966 K972 C976 | Y965-R974 CarbonylContact C-O 3.47Å; Y965-R974 WeakPolarHBondContact CA-O 3.49Å; Q966-R974 PolarHBondContact N-O 3.32Å; Q966-R974 PolarHBondContact O-N 2.96Å; K972-R974 PolarHBondContact O-N 3.01Å; R974-C976 PolarHBondContact O-N 3.31Å |
| 975 | L | 88.1 | Confident | 83.6 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 121.2 | 168.1 | -176.4 | 63.8 | 0 | 0 | 0 | 108.7 | L963 Y965 F977 | L963-L975 HydrophobicContact CB-CD1 3.83Å; L963-L975 HydrophobicContact CD2-CD1 4.21Å; L963-L975 HydrophobicContact CD2-CD2 4.36Å; L963-L975 HydrophobicContact CG-CD1 4.49Å; Y965-L975 HydrophobicContact CD1-CB 3.97Å; Y965-L975 HydrophobicContact CD1-CD1 4.3Å; Y965-L975 HydrophobicContact CD2-CD1 4.34Å; Y965-L975 HydrophobicContact CE1-CB 3.84Å; Y965-L975 HydrophobicContact CE1-CD1 4.1Å; Y965-L975 HydrophobicContact CE2-CD1 4.16Å; Y965-L975 HydrophobicContact CG-CD1 4.41Å; L975-F977 WeakPolarHBondContact CD1-O 3.48Å |
| 976 | C | 87.7 | Confident | 83.3 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -34.2 | -176.7 | -73.9 | 0 | 0 | 0 | 0 | 112.7 | S913 L964 Q966 R974 P1028 | S913-C976 PolarHBondContact OG-SG 3.05Å; L964-C976 PolarHBondContact O-N 3.5Å; Q966-C976 VanDerWaalsContact CB-SG 3.57Å; R974-C976 PolarHBondContact O-N 3.31Å; C976-P1028 WeakPolarHBondContact O-CD 3.5Å |
| 977 | F | 92.4 | Very high | 82.9 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.044 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 149.4 | 177.4 | -43.5 | -83.3 | 0 | 0 | 0 | 111.9 | L911 L964 L975 L1026 E1027 R1029 | L911-F977 VanDerWaalsContact C-CZ 3.44Å; L911-F977 HydrophobicContact CB-CD2 4.37Å; L911-F977 HydrophobicContact CB-CE2 3.87Å; L911-F977 HydrophobicContact CB-CZ 4.06Å; L911-F977 HydrophobicContact CD2-CB 4.48Å; L911-F977 HydrophobicContact CD2-CD1 4.02Å; L911-F977 HydrophobicContact CD2-CD2 3.95Å; L911-F977 HydrophobicContact CD2-CE1 4.27Å; L911-F977 HydrophobicContact CD2-CE2 4.2Å; L911-F977 HydrophobicContact CD2-CG 3.87Å; L911-F977 HydrophobicContact CD2-CZ 4.36Å; L964-F977 HydrophobicContact CB-CB 4.05Å; L964-F977 HydrophobicContact CB-CD2 3.99Å; L964-F977 HydrophobicContact CD1-CB 4.23Å; L964-F977 HydrophobicContact CD1-CD2 4.16Å; L964-F977 HydrophobicContact CG-CB 4.39Å; L964-F977 PolarHBondContact N-O 2.9Å; L964-F977 PolarHBondContact O-N 2.86Å; L964-F977 VanDerWaalsContact O-N 3.14Å; L975-F977 WeakPolarHBondContact CD1-O 3.48Å; F977-L1026 HydrophobicContact CB-CB 4.15Å; F977-L1026 HydrophobicContact CB-CD1 3.76Å; F977-E1027 CarbonylContact C-O 3.54Å; F977-E1027 WeakPolarHBondContact CA-O 3.46Å; F977-R1029 WeakPolarHBondContact CD1-O 3.33Å; F977-R1029 WeakPolarHBondContact CE1-O 2.86Å |
| 978 | Y | 94.8 | Very high | 82.7 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 18% | 0.184 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.3 | 177.6 | 173.2 | -94.1 | 0 | 0 | 0 | 110.2 | E852 R853 F959 A961 V962 L963 L1026 E1027 | E852-Y978 WeakPolarHBondContact O-CE1 3.45Å; R853-Y978 HydrophobicContact CG-CE1 4.23Å; F959-Y978 WeakPolarHBondContact CE1-OH 3.2Å; A961-Y978 HydrophobicContact CB-CE2 4.15Å; V962-Y978 WeakPolarHBondContact O-CA 3.33Å; L963-Y978 HydrophobicContact CD2-CD2 4.37Å; L963-Y978 HydrophobicContact CG-CD2 4.2Å; Y978-L1026 CarbonylContact O-C 3.5Å; Y978-L1026 VanDerWaalsContact O-CA 3.3Å; Y978-L1026 WeakPolarHBondContact O-CA 3.21Å; Y978-L1026 WeakPolarHBondContact O-CB 3.43Å; Y978-E1027 PolarHBondContact N-O 3.43Å; Y978-E1027 PolarHBondContact O-N 3.04Å |
| 979 | G | 95 | Very high | 82.4 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S851 A961 V962 | S851-G979 WeakPolarHBondContact OG-CA 3.36Å; A961-G979 CarbonylContact C-O 3.54Å; A961-G979 WeakPolarHBondContact CA-O 3.45Å; V962-G979 PolarHBondContact N-O 3.21Å; V962-G979 PolarHBondContact O-N 3.42Å |
| 980 | G | 95 | Very high | 81.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S851 E852 L960 | S851-G980 PolarHBondContact OG-N 3.34Å; E852-G980 PolarHBondContact N-O 3.48Å; E852-G980 WeakPolarHBondContact O-CA 3.38Å; L960-G980 CarbonylContact O-C 3.2Å; L960-G980 WeakPolarHBondContact O-CA 3.41Å |
| 981 | I | 94.1 | Very high | 81 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 124.1 | -177.1 | -56.9 | 178.9 | 0 | 0 | 0 | 109.9 | F959 L960 L983 L986 L1024 L1034 | F959-I981 WeakPolarHBondContact CA-O 3.23Å; L960-I981 HydrophobicContact CB-CB 4.46Å; L960-I981 PolarHBondContact N-O 3.14Å; L960-I981 PolarHBondContact O-N 3.16Å; I981-L983 PolarHBondContact O-N 2.74Å; I981-L986 HydrophobicContact CG2-CB 4.32Å; I981-L986 HydrophobicContact CG2-CD2 4.01Å; I981-L1024 HydrophobicContact CD1-CD1 4Å; I981-L1024 HydrophobicContact CD1-CD2 4.08Å; I981-L1024 HydrophobicContact CG1-CD1 3.73Å; I981-L1024 HydrophobicContact CG1-CD2 4.24Å; I981-L1034 HydrophobicContact CD1-CD1 4.49Å |
| 982 | D | 92 | Very high | 80.1 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 109.6 | 163.4 | -177.4 | -32.5 | 0 | 0 | 0 | 110.4 | E852 K984 N985 L986 | E852-D982 VanDerWaalsContact OE2-CB 3.22Å; E852-D982 WeakPolarHBondContact OE2-CB 3.18Å; E852-D982 PolarHBondContact OE2-N 3.46Å; D982-K984 VanDerWaalsContact C-N 3.34Å; D982-K984 PolarHBondContact O-N 2.68Å; D982-K984 WeakPolarHBondContact OD1-CA 3.43Å; D982-K984 WeakPolarHBondContact OD1-CB 3.05Å; D982-K984 PolarHBondContact OD1-N 2.72Å; D982-N985 HydrophobicContact CB-CB 4.06Å; D982-N985 VanDerWaalsContact CG-ND2 3.34Å; D982-N985 PolarHBondContact OD1-N 2.88Å; D982-N985 PolarHBondContact OD2-ND2 3.47Å; D982-L986 VanDerWaalsContact O-CB 3.31Å; D982-L986 WeakPolarHBondContact O-CB 3.16Å; D982-L986 PolarHBondContact O-N 2.66Å |
| 983 | L | 89.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -30.7 | -179.1 | -63.6 | 177.1 | 0 | 0 | 0 | 112.4 | L897 F901 M927 M954 R958 L960 I981 L986 L987 | L897-L983 HydrophobicContact CD1-CB 3.75Å; F901-L983 HydrophobicContact CE2-CD2 3.76Å; F901-L983 HydrophobicContact CZ-CD2 3.8Å; M927-L983 HydrophobicContact CE-CD1 4.4Å; M954-L983 HydrophobicContact CE-CD1 3.59Å; R958-L983 WeakPolarHBondContact O-CB 3.25Å; R958-L983 PolarHBondContact O-N 2.9Å; L960-L983 HydrophobicContact CB-CD1 4.16Å; L960-L983 HydrophobicContact CB-CD2 3.82Å; L960-L983 HydrophobicContact CB-CG 4.02Å; L960-L983 HydrophobicContact CD2-CD2 4.34Å; I981-L983 PolarHBondContact O-N 2.74Å; L983-L986 PolarHBondContact O-N 2.89Å; L983-L987 WeakPolarHBondContact O-CB 3.45Å; L983-L987 VanDerWaalsContact O-CD1 3.28Å; L983-L987 WeakPolarHBondContact O-CD1 3.32Å; L983-L987 PolarHBondContact O-N 3.07Å |
| 984 | K | 82.8 | Confident | 76.8 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.1 | -42.9 | 179.7 | -176.6 | 166.5 | -177 | 157.8 | 0 | 111 | G895 L897 D982 L986 G988 | G895-K984 PolarHBondContact O-NZ 3.47Å; L897-K984 HydrophobicContact CD1-CB 4.49Å; D982-K984 VanDerWaalsContact C-N 3.34Å; D982-K984 PolarHBondContact O-N 2.68Å; D982-K984 WeakPolarHBondContact OD1-CA 3.43Å; D982-K984 WeakPolarHBondContact OD1-CB 3.05Å; D982-K984 PolarHBondContact OD1-N 2.72Å; K984-L986 VanDerWaalsContact C-N 3.35Å; K984-G988 PolarHBondContact O-N 2.81Å |
| 985 | N | 83.3 | Confident | 74.6 | Confident | 85 Ų | 85 | 51 Ų | 51 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.8 | -34.7 | 172.8 | -81.8 | -43.1 | 0 | 0 | 0 | 112.1 | D982 K989 | D982-N985 HydrophobicContact CB-CB 4.06Å; D982-N985 VanDerWaalsContact CG-ND2 3.34Å; D982-N985 PolarHBondContact OD1-N 2.88Å; D982-N985 PolarHBondContact OD2-ND2 3.47Å; N985-K989 WeakPolarHBondContact O-CD 3.14Å; N985-K989 WeakPolarHBondContact O-CE 3.45Å; N985-K989 WeakPolarHBondContact O-CG 3.24Å; N985-K989 PolarHBondContact O-N 2.83Å |
| 986 | L | 83 | Confident | 71.9 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -63.7 | 173.2 | -178.8 | 64.5 | 0 | 0 | 0 | 111.2 | L849 I981 D982 L983 K984 G988 K989 L990 I1022 L1036 | L849-L986 HydrophobicContact CD1-CD1 4.26Å; I981-L986 HydrophobicContact CG2-CB 4.32Å; I981-L986 HydrophobicContact CG2-CD2 4.01Å; D982-L986 VanDerWaalsContact O-CB 3.31Å; D982-L986 WeakPolarHBondContact O-CB 3.16Å; D982-L986 PolarHBondContact O-N 2.66Å; L983-L986 PolarHBondContact O-N 2.89Å; K984-L986 VanDerWaalsContact C-N 3.35Å; L986-G988 VanDerWaalsContact C-N 3.29Å; L986-G988 PolarHBondContact O-N 3.14Å; L986-K989 PolarHBondContact O-N 2.65Å; L986-L990 HydrophobicContact CD1-CD1 3.72Å; L986-L990 HydrophobicContact CG-CD1 3.8Å; L986-L990 WeakPolarHBondContact O-CD1 3.39Å; L986-L990 VanDerWaalsContact O-CG 3.25Å; L986-L990 WeakPolarHBondContact O-CG 3.4Å; L986-L990 PolarHBondContact O-N 3.49Å; L986-I1022 HydrophobicContact CD1-CD1 3.74Å; L986-I1022 HydrophobicContact CD2-CD1 3.95Å; L986-L1036 HydrophobicContact CD2-CD1 3.61Å |
| 987 | L | 77.8 | Confident | 69.1 | Low | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -33.7 | -174.7 | -83.7 | 67.2 | 0 | 0 | 0 | 112.1 | L897 L983 L990 T991 H1038 | L897-L987 HydrophobicContact CD1-CD2 4.16Å; L897-L987 HydrophobicContact CD2-CD2 3.93Å; L983-L987 WeakPolarHBondContact O-CB 3.45Å; L983-L987 VanDerWaalsContact O-CD1 3.28Å; L983-L987 WeakPolarHBondContact O-CD1 3.32Å; L983-L987 PolarHBondContact O-N 3.07Å; L987-L990 PolarHBondContact O-N 3.21Å; L987-T991 PolarHBondContact O-N 3.05Å; L987-T991 PolarHBondContact O-OG1 3.35Å; L987-H1038 HydrophobicContact CD2-CB 3.86Å |
| 988 | G | 70.5 | Confident | 66.2 | Low | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K984 L986 L990 T991 S992 | K984-G988 PolarHBondContact O-N 2.81Å; L986-G988 VanDerWaalsContact C-N 3.29Å; L986-G988 PolarHBondContact O-N 3.14Å; G988-L990 VanDerWaalsContact C-N 3.3Å; G988-T991 PolarHBondContact O-OG1 3.24Å; G988-S992 WeakPolarHBondContact O-CB 3.43Å; G988-S992 PolarHBondContact O-N 3.09Å; G988-S992 PolarHBondContact O-OG 2.83Å |
| 989 | K | 64.6 | Low | 63 | Low | 129 Ų | 129 | 63.6 Ų | 63.6 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.5 | -36.7 | 171.3 | -71.8 | 165.6 | -169.3 | 169.9 | 0 | 111.1 | N985 L986 S992 S993 | N985-K989 WeakPolarHBondContact O-CD 3.14Å; N985-K989 WeakPolarHBondContact O-CE 3.45Å; N985-K989 WeakPolarHBondContact O-CG 3.24Å; N985-K989 PolarHBondContact O-N 2.83Å; L986-K989 PolarHBondContact O-N 2.65Å; K989-S992 WeakPolarHBondContact O-CB 3.27Å; K989-S992 PolarHBondContact O-N 3.02Å; K989-S993 PolarHBondContact O-N 3.34Å; K989-S993 VanDerWaalsContact O-N 3.14Å |
| 990 | L | 56.4 | Low | 59.9 | Low | 20 Ų | 20 | 70.5 Ų | 70.5 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -83.8 | -29.6 | -171.2 | -61.3 | 166.4 | 0 | 0 | 0 | 113.5 | L986 L987 G988 S992 S993 N994 Y1020 | L986-L990 HydrophobicContact CD1-CD1 3.72Å; L986-L990 HydrophobicContact CG-CD1 3.8Å; L986-L990 WeakPolarHBondContact O-CD1 3.39Å; L986-L990 VanDerWaalsContact O-CG 3.25Å; L986-L990 WeakPolarHBondContact O-CG 3.4Å; L986-L990 PolarHBondContact O-N 3.49Å; L987-L990 PolarHBondContact O-N 3.21Å; G988-L990 VanDerWaalsContact C-N 3.3Å; L990-S992 VanDerWaalsContact C-N 3.26Å; L990-S993 PolarHBondContact O-OG 2.91Å; L990-N994 PolarHBondContact O-OD1 3.27Å; L990-Y1020 HydrophobicContact CB-CD1 4.39Å; L990-Y1020 HydrophobicContact CB-CE1 3.78Å; L990-Y1020 HydrophobicContact CB-CE2 4.45Å; L990-Y1020 HydrophobicContact CD1-CD1 3.63Å; L990-Y1020 HydrophobicContact CD1-CD2 3.65Å; L990-Y1020 HydrophobicContact CD1-CE1 3.8Å; L990-Y1020 HydrophobicContact CD1-CE2 3.82Å; L990-Y1020 HydrophobicContact CD1-CG 3.52Å; L990-Y1020 HydrophobicContact CD2-CD1 3.57Å; L990-Y1020 HydrophobicContact CD2-CE1 3.71Å; L990-Y1020 HydrophobicContact CD2-CG 4.27Å; L990-Y1020 HydrophobicContact CG-CD1 4.04Å; L990-Y1020 HydrophobicContact CG-CE1 3.95Å; L990-Y1020 HydrophobicContact CG-CG 4.42Å |
| 991 | T | 55.5 | Low | 56.9 | Low | 92 Ų | 92 | 77.6 Ų | 77.6 | 56% | 0.564 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.8 | -29.3 | 165.8 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | L987 G988 | L987-T991 PolarHBondContact O-N 3.05Å; L987-T991 PolarHBondContact O-OG1 3.35Å; G988-T991 PolarHBondContact O-OG1 3.24Å |
| 992 | S | 46.1 | Very low | 53.7 | Low | 86 Ų | 86 | 82.5 Ų | 82.5 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.6 | -33 | 179.2 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | G988 K989 L990 | G988-S992 WeakPolarHBondContact O-CB 3.43Å; G988-S992 PolarHBondContact O-N 3.09Å; G988-S992 PolarHBondContact O-OG 2.83Å; K989-S992 WeakPolarHBondContact O-CB 3.27Å; K989-S992 PolarHBondContact O-N 3.02Å; L990-S992 VanDerWaalsContact C-N 3.26Å |
| 993 | S | 42.4 | Very low | 50.9 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.4 | -30 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | K989 L990 | K989-S993 PolarHBondContact O-N 3.34Å; K989-S993 VanDerWaalsContact O-N 3.14Å; L990-S993 PolarHBondContact O-OG 2.91Å |
| 994 | N | 39 | Very low | 47.9 | Very low | 69 Ų | 69 | 91.5 Ų | 91.5 | 37% | 0.369 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -89.9 | -0.7 | -167.4 | -67.6 | 17.1 | 0 | 0 | 0 | 114.2 | L990 A996 | L990-N994 PolarHBondContact O-OD1 3.27Å; N994-A996 PolarHBondContact O-N 2.88Å |
| 995 | I | 36.5 | Very low | 45.4 | Very low | 146 Ų | 146 | 93.2 Ų | 93.2 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -75.3 | -15.4 | 179.8 | -66.2 | 168.5 | 0 | 0 | 0 | 112 | S997 | I995-S997 VanDerWaalsContact C-N 3.33Å; I995-S997 PolarHBondContact O-N 2.93Å |
| 996 | A | 31.9 | Very low | 43 | Very low | 99 Ų | 99 | 93.6 Ų | 93.6 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -81 | 0.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N994 | N994-A996 PolarHBondContact O-N 2.88Š|
| 997 | S | 28.6 | Very low | 40.6 | Very low | 81 Ų | 81 | 95 Ų | 95 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -149.1 | 148.5 | -177.8 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | I995 | I995-S997 VanDerWaalsContact C-N 3.33Å; I995-S997 PolarHBondContact O-N 2.93Å |
| 998 | T | 30.6 | Very low | 39.1 | Very low | 137 Ų | 137 | 95.6 Ų | 95.6 | 84% | 0.84 | 59% | 0.594 | S | S | * | * | trans | 62 | 82.6 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 999 | S | 28.9 | Very low | 37.9 | Very low | 101 Ų | 101 | 94.1 Ų | 94.1 | 71% | 0.706 | 58% | 0.578 | S | S | * | * | trans | -72 | 164.9 | 135.4 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1000 | N | 28.9 | Very low | 37 | Very low | 145 Ų | 145 | 89.9 Ų | 89.9 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | trans | 63.2 | 105 | 173.9 | -56.5 | -13.9 | 0 | 0 | 0 | 117.4 | ||||
| 1001 | T | 32 | Very low | 36.3 | Very low | 149 Ų | 149 | 90.2 Ų | 90.2 | 91% | 0.914 | 57% | 0.568 | S | S | * | * | 178 | 152 | 112.4 | 27 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1002 | S | 27.2 | Very low | 36 | Very low | 109 Ų | 109 | 86.3 Ų | 86.3 | 76% | 0.762 | 54% | 0.544 | S | S | * | . | trans | -93.2 | 146 | 172.6 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1003 | T | 32.4 | Very low | 35.7 | Very low | 145 Ų | 145 | 86.2 Ų | 86.2 | 89% | 0.89 | 54% | 0.543 | S | S | * | . | trans | -173.7 | 138.9 | 150.3 | 39.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1004 | G | 26.7 | Very low | 35.7 | Very low | 85 Ų | 85 | 88.8 Ų | 88.8 | 88% | 0.876 | 55% | 0.55 | S | S | * | * | trans | -96.5 | 106.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1005 | E | 31.1 | Very low | 36.1 | Very low | 140 Ų | 140 | 89.1 Ų | 89.1 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | trans | -149.5 | 85.7 | 160.8 | -152.8 | 170.5 | -154.3 | 0 | 0 | 110.4 | ||||
| 1006 | L | 32.8 | Very low | 36.8 | Very low | 93 Ų | 93 | 83.5 Ų | 83.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | trans | -123.1 | 79.9 | 167.5 | -78.4 | 176.8 | 0 | 0 | 0 | 109.1 | L1008 N1048 | L1006-L1008 HydrophobicContact CD2-CD1 4.23Å; L1006-L1008 HydrophobicContact CD2-CG 4.34Å; L1006-N1048 PolarHBondContact O-ND2 2.77Å | ||
| 1007 | I | 33.1 | Very low | 37.9 | Very low | 46 Ų | 46 | 89.1 Ų | 89.1 | 24% | 0.236 | 53% | 0.532 | C | S | . | . | trans | -92.2 | 114.7 | 153.1 | -56 | 171.4 | 0 | 0 | 0 | 105 | P1010 R1064 | I1007-P1010 WeakPolarHBondContact O-CD 3.47Å; I1007-R1064 HydrophobicContact CD1-CG 4.45Å | ||
| 1008 | L | 46.2 | Very low | 39.6 | Very low | 35 Ų | 35 | 89.6 Ų | 89.6 | 18% | 0.183 | 53% | 0.528 | C | S | . | . | trans | -127.3 | 104.4 | 168.7 | -66.6 | -178.5 | 0 | 0 | 0 | 106.5 | L1006 V1012 I1039 E1191 | L1006-L1008 HydrophobicContact CD2-CD1 4.23Å; L1006-L1008 HydrophobicContact CD2-CG 4.34Å; L1008-V1012 HydrophobicContact CD1-CG1 4.29Å; L1008-V1012 HydrophobicContact CD2-CB 4.13Å; L1008-V1012 HydrophobicContact CD2-CG1 3.76Å; L1008-V1012 HydrophobicContact CD2-CG2 4.13Å; L1008-I1039 HydrophobicContact CD1-CD1 4.18Å; L1008-E1191 WeakPolarHBondContact O-CG 3.48Å | ||
| 1009 | S | 44.1 | Very low | 41.8 | Very low | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.007 | 50% | 0.496 | C | S | . | . | -138.1 | 94.8 | 59.4 | -31.1 | 0 | 0 | 0 | 0 | 116.1 | R1139 D1187 R1190 E1191 | S1009-R1139 WeakPolarHBondContact O-CD 3.36Å; S1009-R1139 PolarHBondContact O-NE 3.08Å; S1009-R1139 PolarHBondContact O-NH1 3Å; S1009-R1139 VanDerWaalsContact O-NH1 3.16Å; S1009-R1139 PolarHBondContact O-NH2 3.42Å; S1009-D1187 WeakPolarHBondContact CB-OD2 3.38Å; S1009-D1187 PolarHBondContact OG-OD2 3.48Å; S1009-R1190 PolarHBondContact OG-NH2 2.93Å; S1009-E1191 WeakPolarHBondContact CB-OE1 3.39Å; S1009-E1191 PolarHBondContact N-OE1 2.7Å; S1009-E1191 PolarHBondContact N-OE2 2.85Å; S1009-E1191 VanDerWaalsContact N-OE2 3.08Å; S1009-E1191 PolarHBondContact OG-OE1 2.69Å | |||
| 1010 | P | 47.4 | Very low | 44.5 | Very low | 41 Ų | 41 | 81.7 Ų | 81.7 | 27% | 0.266 | 47% | 0.471 | S | S | . | . | S | Bend | -57 | -177.8 | 124.2 | -12.5 | 30.2 | 0 | 0 | 0 | 109.4 | I1007 V1012 | I1007-P1010 WeakPolarHBondContact O-CD 3.47Å; P1010-V1012 PolarHBondContact O-N 3.37Å | |
| 1011 | S | 41.3 | Very low | 47.4 | Very low | 26 Ų | 26 | 77.4 Ų | 77.4 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -70.7 | 42.8 | 164.4 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | S1013 V1132 L1136 | S1011-S1013 VanDerWaalsContact C-N 3.31Å; S1011-S1013 PolarHBondContact O-N 2.88Å; S1011-V1132 WeakPolarHBondContact OG-CG1 3.05Å; S1011-L1136 VanDerWaalsContact OG-CD1 3.29Å; S1011-L1136 WeakPolarHBondContact OG-CD1 3.18Å; S1011-L1136 WeakPolarHBondContact OG-CD2 3.48Å; S1011-L1136 VanDerWaalsContact OG-CG 3.23Å; S1011-L1136 WeakPolarHBondContact OG-CG 3.32Å |
| 1012 | V | 48.4 | Very low | 50.2 | Low | 10 Ų | 10 | 70.4 Ų | 70.4 | 6% | 0.061 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 44.2 | 56.7 | -167 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | I902 L1008 P1010 I1014 I1039 | I902-V1012 HydrophobicContact CD1-CB 3.63Å; I902-V1012 HydrophobicContact CD1-CG1 4.14Å; I902-V1012 HydrophobicContact CD1-CG2 3.64Å; L1008-V1012 HydrophobicContact CD1-CG1 4.29Å; L1008-V1012 HydrophobicContact CD2-CB 4.13Å; L1008-V1012 HydrophobicContact CD2-CG1 3.76Å; L1008-V1012 HydrophobicContact CD2-CG2 4.13Å; P1010-V1012 PolarHBondContact O-N 3.37Å; V1012-I1014 VanDerWaalsContact C-N 3.3Å; V1012-I1014 PolarHBondContact O-N 3.02Å; V1012-I1014 VanDerWaalsContact O-N 3.08Å; V1012-I1039 HydrophobicContact CB-CD1 4.3Å; V1012-I1039 HydrophobicContact CG1-CD1 3.63Å; V1012-I1039 HydrophobicContact CG2-CD1 3.8Å |
| 1013 | S | 39.4 | Very low | 53.4 | Low | 85 Ų | 85 | 65.5 Ų | 65.5 | 59% | 0.594 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 44.5 | 47.2 | 169.4 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | S1011 L1015 | S1011-S1013 VanDerWaalsContact C-N 3.31Å; S1011-S1013 PolarHBondContact O-N 2.88Å; S1013-L1015 PolarHBondContact O-N 3.15Å |
| 1014 | I | 43.5 | Very low | 56.4 | Low | 121 Ų | 121 | 58.6 Ų | 58.6 | 62% | 0.621 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 28.7 | 82 | 177.9 | -50.3 | -179.4 | 0 | 0 | 0 | 112.4 | V1012 | V1012-I1014 VanDerWaalsContact C-N 3.3Å; V1012-I1014 PolarHBondContact O-N 3.02Å; V1012-I1014 VanDerWaalsContact O-N 3.08Å |
| 1015 | L | 47.7 | Very low | 59.6 | Low | 76 Ų | 76 | 59.7 Ų | 59.7 | 40% | 0.398 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 76.5 | 97.9 | -170.1 | -71.2 | 70.5 | 0 | 0 | 0 | 115 | S1013 V1019 E1035 | S1013-L1015 PolarHBondContact O-N 3.15Å; L1015-V1019 HydrophobicContact CB-CB 4.34Å; L1015-V1019 HydrophobicContact CB-CG2 3.78Å; L1015-V1019 HydrophobicContact CD2-CB 4.05Å; L1015-V1019 HydrophobicContact CD2-CG1 3.76Å; L1015-V1019 HydrophobicContact CD2-CG2 4.3Å; L1015-V1019 HydrophobicContact CG-CB 4.08Å; L1015-V1019 HydrophobicContact CG-CG1 3.89Å; L1015-V1019 HydrophobicContact CG-CG2 3.78Å; L1015-E1035 WeakPolarHBondContact CD2-OE2 3.04Å |
| 1016 | S | 51.5 | Low | 62.6 | Low | 28 Ų | 28 | 53.1 Ų | 53.1 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -39.9 | 145 | 151.2 | -55.3 | 0 | 0 | 0 | 0 | 112.2 | N1018 V1019 | S1016-N1018 PolarHBondContact O-N 3.38Å; S1016-V1019 WeakPolarHBondContact O-CG2 3.35Å; S1016-V1019 PolarHBondContact O-N 3.49Å | ||
| 1017 | K | 54 | Low | 65.3 | Low | 218 Ų | 218 | 51.8 Ų | 51.8 | 95% | 0.948 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -52.7 | -21.9 | 176.1 | -67.5 | -176.2 | 179.1 | 179 | 0 | 114.5 | ||
| 1018 | N | 65.2 | Low | 67.8 | Low | 91 Ų | 91 | 54.7 Ų | 54.7 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -106.9 | 76.7 | 176 | -63.5 | -16.8 | 0 | 0 | 0 | 110.6 | S1016 S1037 | S1016-N1018 PolarHBondContact O-N 3.38Å; N1018-S1037 VanDerWaalsContact O-CB 3.29Å; N1018-S1037 WeakPolarHBondContact O-CB 3.35Å |
| 1019 | V | 76.9 | Confident | 69.7 | Low | 30 Ų | 30 | 62.5 Ų | 62.5 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | trans | -118.4 | 138.9 | 174.6 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | L1015 S1016 E1035 L1036 | L1015-V1019 HydrophobicContact CB-CB 4.34Å; L1015-V1019 HydrophobicContact CB-CG2 3.78Å; L1015-V1019 HydrophobicContact CD2-CB 4.05Å; L1015-V1019 HydrophobicContact CD2-CG1 3.76Å; L1015-V1019 HydrophobicContact CD2-CG2 4.3Å; L1015-V1019 HydrophobicContact CG-CB 4.08Å; L1015-V1019 HydrophobicContact CG-CG1 3.89Å; L1015-V1019 HydrophobicContact CG-CG2 3.78Å; S1016-V1019 WeakPolarHBondContact O-CG2 3.35Å; S1016-V1019 PolarHBondContact O-N 3.49Å; V1019-E1035 HydrophobicContact CG1-CB 4.06Å; V1019-E1035 HydrophobicContact CG1-CG 3.97Å; V1019-L1036 WeakPolarHBondContact CA-O 3.29Å | ||
| 1020 | Y | 83.8 | Confident | 71.9 | Confident | 42 Ų | 42 | 63 Ų | 63 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119 | -171.4 | -47.8 | -67.4 | 0 | 0 | 0 | 110.3 | L990 E1035 L1036 | L990-Y1020 HydrophobicContact CB-CD1 4.39Å; L990-Y1020 HydrophobicContact CB-CE1 3.78Å; L990-Y1020 HydrophobicContact CB-CE2 4.45Å; L990-Y1020 HydrophobicContact CD1-CD1 3.63Å; L990-Y1020 HydrophobicContact CD1-CD2 3.65Å; L990-Y1020 HydrophobicContact CD1-CE1 3.8Å; L990-Y1020 HydrophobicContact CD1-CE2 3.82Å; L990-Y1020 HydrophobicContact CD1-CG 3.52Å; L990-Y1020 HydrophobicContact CD2-CD1 3.57Å; L990-Y1020 HydrophobicContact CD2-CE1 3.71Å; L990-Y1020 HydrophobicContact CD2-CG 4.27Å; L990-Y1020 HydrophobicContact CG-CD1 4.04Å; L990-Y1020 HydrophobicContact CG-CE1 3.95Å; L990-Y1020 HydrophobicContact CG-CG 4.42Å; Y1020-E1035 WeakPolarHBondContact O-CA 3.2Å; Y1020-L1036 WeakPolarHBondContact CD2-O 3.41Å; Y1020-L1036 PolarHBondContact N-O 3.49Å; Y1020-L1036 PolarHBondContact O-N 3.33Å |
| 1021 | K | 89.8 | Confident | 74 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.9 | -176.9 | -56 | -167.8 | -179.3 | -69 | 0 | 109.5 | F846 L847 E1035 | F846-K1021 HydrophobicContact CD1-CB 3.81Å; F846-K1021 HydrophobicContact CD2-CB 4.05Å; F846-K1021 HydrophobicContact CD2-CD 4.41Å; F846-K1021 HydrophobicContact CE1-CB 3.8Å; F846-K1021 HydrophobicContact CE2-CB 4.06Å; F846-K1021 HydrophobicContact CE2-CD 3.89Å; F846-K1021 HydrophobicContact CE2-CG 4.45Å; F846-K1021 HydrophobicContact CG-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CB 3.93Å; F846-K1021 HydrophobicContact CZ-CD 4.09Å; F846-K1021 HydrophobicContact CZ-CG 4.29Å; L847-K1021 PolarHBondContact N-O 2.82Å; K1021-E1035 HydrophobicContact CB-CG 4.28Å; K1021-E1035 HydrophobicContact CG-CG 3.74Å; K1021-E1035 IonicContact NZ-OE1 2.68Å; K1021-E1035 PolarHBondContact NZ-OE1 3.16Å; K1021-E1035 IonicContact NZ-OE2 3.79Å; K1021-E1035 PolarHBondContact NZ-OE2 3.16Å |
| 1022 | I | 92.1 | Very high | 76.6 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.2 | -169.8 | -58.2 | -172 | 0 | 0 | 0 | 111.4 | L847 L849 L986 L1034 L1036 | L847-I1022 CarbonylContact O-C 3.55Å; L847-I1022 VanDerWaalsContact O-CA 3.32Å; L847-I1022 WeakPolarHBondContact O-CA 3.23Å; L849-I1022 HydrophobicContact CB-CG2 4.06Å; L849-I1022 HydrophobicContact CD1-CD1 3.89Å; L849-I1022 HydrophobicContact CD1-CG2 3.83Å; L849-I1022 HydrophobicContact CG-CG2 3.89Å; L986-I1022 HydrophobicContact CD1-CD1 3.74Å; L986-I1022 HydrophobicContact CD2-CD1 3.95Å; I1022-L1034 PolarHBondContact N-O 2.7Å; I1022-L1034 PolarHBondContact O-N 3.19Å; I1022-L1036 HydrophobicContact CD1-CD1 3.57Å; I1022-L1036 HydrophobicContact CD1-CG 4.43Å; I1022-L1036 HydrophobicContact CG1-CD1 4.44Å |
| 1023 | A | 94.4 | Very high | 78.8 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 92.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | F846 L847 T848 L849 Q1025 V1031 Y1033 | F846-A1023 HydrophobicContact CB-CB 4.09Å; L847-A1023 PolarHBondContact O-N 3.2Å; T848-A1023 WeakPolarHBondContact CA-O 3.38Å; L849-A1023 PolarHBondContact N-O 2.97Å; A1023-Q1025 PolarHBondContact O-N 3.14Å; A1023-V1031 HydrophobicContact CB-CG1 3.83Å; A1023-Y1033 HydrophobicContact CB-CD1 4.03Å; A1023-Y1033 HydrophobicContact CB-CE1 3.94Å |
| 1024 | L | 95.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 113 | -178.3 | -178.1 | 63.5 | 0 | 0 | 0 | 110.1 | I981 L1026 V1031 L1032 L1034 | I981-L1024 HydrophobicContact CD1-CD1 4Å; I981-L1024 HydrophobicContact CD1-CD2 4.08Å; I981-L1024 HydrophobicContact CG1-CD1 3.73Å; I981-L1024 HydrophobicContact CG1-CD2 4.24Å; L1024-L1026 HydrophobicContact CD2-CD2 3.92Å; L1024-L1026 HydrophobicContact CG-CD2 3.93Å; L1024-L1026 PolarHBondContact O-N 3.03Å; L1024-V1031 WeakPolarHBondContact O-CA 3.43Å; L1024-L1032 PolarHBondContact N-O 3.07Å; L1024-L1032 PolarHBondContact O-N 3.28Å; L1024-L1034 HydrophobicContact CB-CD1 4.16Å; L1024-L1034 HydrophobicContact CD2-CD1 4Å |
| 1025 | Q | 94.4 | Very high | 83.7 | Confident | 108 Ų | 108 | 53.4 Ų | 53.4 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 111.5 | 178 | -177.5 | -179.4 | -0.7 | 0 | 0 | 110.4 | L849 S851 A1023 G1030 | L849-Q1025 PolarHBondContact O-N 3.41Å; S851-Q1025 VanDerWaalsContact CB-O 3.27Å; S851-Q1025 WeakPolarHBondContact CB-O 3.17Å; S851-Q1025 PolarHBondContact N-O 2.95Å; A1023-Q1025 PolarHBondContact O-N 3.14Å; Q1025-G1030 CarbonylContact C-O 3.57Å; Q1025-G1030 WeakPolarHBondContact CA-O 3.34Å |
| 1026 | L | 93.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | trans | -83.6 | 140.6 | -176.1 | -51.7 | -171.4 | 0 | 0 | 0 | 112.5 | L911 L964 F977 Y978 L1024 P1028 R1029 G1030 L1032 | L911-L1026 HydrophobicContact CD2-CD1 3.73Å; L964-L1026 HydrophobicContact CD1-CD1 3.59Å; L964-L1026 HydrophobicContact CG-CD1 4.26Å; F977-L1026 HydrophobicContact CB-CB 4.15Å; F977-L1026 HydrophobicContact CB-CD1 3.76Å; Y978-L1026 CarbonylContact O-C 3.5Å; Y978-L1026 VanDerWaalsContact O-CA 3.3Å; Y978-L1026 WeakPolarHBondContact O-CA 3.21Å; Y978-L1026 WeakPolarHBondContact O-CB 3.43Å; L1024-L1026 HydrophobicContact CD2-CD2 3.92Å; L1024-L1026 HydrophobicContact CG-CD2 3.93Å; L1024-L1026 PolarHBondContact O-N 3.03Å; L1026-P1028 CarbonylContact O-C 3.48Å; L1026-R1029 CarbonylContact O-C 3.34Å; L1026-R1029 WeakPolarHBondContact O-CA 3.43Å; L1026-R1029 PolarHBondContact O-N 3.3Å; L1026-G1030 PolarHBondContact N-O 3.01Å; L1026-G1030 PolarHBondContact O-N 3.41Å; L1026-L1032 HydrophobicContact CD1-CB 4.35Å; L1026-L1032 HydrophobicContact CD2-CB 4.26Å; L1026-L1032 HydrophobicContact CG-CB 4.4Å | ||
| 1027 | E | 89.3 | Confident | 87.4 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -74.3 | 142.9 | 163.1 | -67.4 | -168.9 | -163.8 | 0 | 0 | 110.7 | R853 F977 Y978 | R853-E1027 IonicContact CZ-OE1 3.64Å; R853-E1027 IonicContact CZ-OE2 3.35Å; R853-E1027 IonicContact NE-OE1 2.82Å; R853-E1027 PolarHBondContact NE-OE1 3.24Å; R853-E1027 IonicContact NE-OE2 3.32Å; R853-E1027 PolarHBondContact NE-OE2 3.23Å; R853-E1027 IonicContact NH2-OE1 3.6Å; R853-E1027 IonicContact NH2-OE2 2.64Å; R853-E1027 PolarHBondContact NH2-OE2 3.02Å; F977-E1027 CarbonylContact C-O 3.54Å; F977-E1027 WeakPolarHBondContact CA-O 3.46Å; Y978-E1027 PolarHBondContact N-O 3.43Å; Y978-E1027 PolarHBondContact O-N 3.04Å |
| 1028 | P | 86.5 | Confident | 89 | Confident | 106 Ų | 106 | 40.8 Ų | 40.8 | 69% | 0.688 | 20% | 0.2 | S | C | * | . | S | Bend | cis | -78.4 | -25 | -7.9 | 32.1 | -35 | 0 | 0 | 0 | 112.7 | C976 L1026 | C976-P1028 WeakPolarHBondContact O-CD 3.5Å; L1026-P1028 CarbonylContact O-C 3.48Å |
| 1029 | R | 85.8 | Confident | 89.9 | Confident | 200 Ų | 200 | 37.2 Ų | 37.2 | 76% | 0.755 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -154.2 | 131.4 | 176.5 | -62.1 | -175.5 | 70 | 178 | 1.9 | 110.4 | F977 L1026 | F977-R1029 WeakPolarHBondContact CD1-O 3.33Å; F977-R1029 WeakPolarHBondContact CE1-O 2.86Å; L1026-R1029 CarbonylContact O-C 3.34Å; L1026-R1029 WeakPolarHBondContact O-CA 3.43Å; L1026-R1029 PolarHBondContact O-N 3.3Å |
| 1030 | G | 89.2 | Confident | 90.2 | Very high | 12 Ų | 12 | 38 Ų | 38 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | trans | 158.7 | 168.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K909 Q1025 L1026 | K909-G1030 CarbonylContact O-C 3.56Å; K909-G1030 WeakPolarHBondContact O-CA 3.13Å; Q1025-G1030 CarbonylContact C-O 3.57Å; Q1025-G1030 WeakPolarHBondContact CA-O 3.34Å; L1026-G1030 PolarHBondContact N-O 3.01Å; L1026-G1030 PolarHBondContact O-N 3.41Å | ||
| 1031 | V | 93.4 | Very high | 90.1 | Very high | 36 Ų | 36 | 37 Ų | 37 | 22% | 0.218 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.5 | 166.8 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | K909 A1023 L1024 Y1033 | K909-V1031 HydrophobicContact CB-CB 4.43Å; K909-V1031 PolarHBondContact N-O 3.43Å; K909-V1031 PolarHBondContact O-N 3.18Å; A1023-V1031 HydrophobicContact CB-CG1 3.83Å; L1024-V1031 WeakPolarHBondContact O-CA 3.43Å; V1031-Y1033 HydrophobicContact CG1-CD1 4.44Å; V1031-Y1033 HydrophobicContact CG1-CD2 4.45Å; V1031-Y1033 HydrophobicContact CG1-CE1 4.1Å; V1031-Y1033 HydrophobicContact CG1-CE2 4.12Å |
| 1032 | L | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.2 | 169.8 | -164.4 | 68.3 | 0 | 0 | 0 | 108 | V905 W946 V962 L1024 L1026 L1034 | V905-L1032 HydrophobicContact CG1-CD1 3.86Å; V905-L1032 HydrophobicContact CG1-CD2 4.19Å; V905-L1032 HydrophobicContact CG1-CG 4.16Å; W946-L1032 HydrophobicContact CE3-CD1 4.47Å; V962-L1032 HydrophobicContact CG1-CD2 3.76Å; L1024-L1032 PolarHBondContact N-O 3.07Å; L1024-L1032 PolarHBondContact O-N 3.28Å; L1026-L1032 HydrophobicContact CD1-CB 4.35Å; L1026-L1032 HydrophobicContact CD2-CB 4.26Å; L1026-L1032 HydrophobicContact CG-CB 4.4Å; L1032-L1034 HydrophobicContact CD2-CD2 3.75Å; L1032-L1034 HydrophobicContact CD2-CG 4.36Å; L1032-L1034 HydrophobicContact CG-CD2 3.82Å; L1032-L1034 HydrophobicContact CG-CG 4.31Å |
| 1033 | Y | 94.9 | Very high | 88.8 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 9% | 0.09 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119 | 177.3 | -63.7 | -81 | 0 | 0 | 0 | 108.7 | F843 F846 I906 A907 K909 Y943 A1023 V1031 | F843-Y1033 HydrophobicContact CB-CD1 4.18Å; F843-Y1033 HydrophobicContact CB-CE1 3.74Å; F843-Y1033 AromaticContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD1 3.49Å; F843-Y1033 VanDerWaalsContact CD1-CD1 3.49Å; F843-Y1033 HydrophobicContact CD1-CD2 4.42Å; F843-Y1033 AromaticContact CD1-CE1 3.9Å; F843-Y1033 HydrophobicContact CD1-CE1 3.9Å; F843-Y1033 AromaticContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CD1-CG 3.78Å; F843-Y1033 HydrophobicContact CE1-CD1 4.13Å; F843-Y1033 HydrophobicContact CE1-CD2 4.41Å; F843-Y1033 AromaticContact CE1-CG 3.93Å; F843-Y1033 HydrophobicContact CE1-CG 3.93Å; F843-Y1033 AromaticContact CG-CD1 3.99Å; F843-Y1033 HydrophobicContact CG-CD1 3.99Å; F843-Y1033 AromaticContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CE1 3.89Å; F843-Y1033 HydrophobicContact CG-CG 4.46Å; F846-Y1033 AromaticContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CD1-CD1 3.9Å; F846-Y1033 HydrophobicContact CE1-CD1 4.33Å; F846-Y1033 HydrophobicContact CG-CD1 4.21Å; I906-Y1033 WeakPolarHBondContact CB-O 3.46Å; I906-Y1033 PolarHBondContact N-O 3.35Å; A907-Y1033 HydrophobicContact CB-CD2 4.02Å; A907-Y1033 PolarHBondContact O-N 3.03Å; K909-Y1033 HydrophobicContact CB-CE2 3.91Å; K909-Y1033 HydrophobicContact CD-CE2 4.11Å; K909-Y1033 WeakPolarHBondContact CD-OH 3.33Å; Y943-Y1033 HydrophobicContact CE2-CE2 4.3Å; A1023-Y1033 HydrophobicContact CB-CD1 4.03Å; A1023-Y1033 HydrophobicContact CB-CE1 3.94Å; V1031-Y1033 HydrophobicContact CG1-CD1 4.44Å; V1031-Y1033 HydrophobicContact CG1-CD2 4.45Å; V1031-Y1033 HydrophobicContact CG1-CE1 4.1Å; V1031-Y1033 HydrophobicContact CG1-CE2 4.12Å |
| 1034 | L | 94.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.7 | -172.7 | -61.4 | -177.8 | 0 | 0 | 0 | 110.9 | L903 H904 V905 I981 I1022 L1024 L1032 L1036 | L903-L1034 HydrophobicContact CD1-CB 4.49Å; L903-L1034 HydrophobicContact CD1-CD1 4.18Å; L903-L1034 HydrophobicContact CD1-CD2 3.93Å; L903-L1034 HydrophobicContact CD1-CG 4.43Å; H904-L1034 VanDerWaalsContact O-CA 3.31Å; H904-L1034 WeakPolarHBondContact O-CA 3.46Å; V905-L1034 HydrophobicContact CB-CD2 4.26Å; V905-L1034 HydrophobicContact CG1-CD2 4.21Å; V905-L1034 HydrophobicContact CG2-CD2 4.01Å; I981-L1034 HydrophobicContact CD1-CD1 4.49Å; I1022-L1034 PolarHBondContact N-O 2.7Å; I1022-L1034 PolarHBondContact O-N 3.19Å; L1024-L1034 HydrophobicContact CB-CD1 4.16Å; L1024-L1034 HydrophobicContact CD2-CD1 4Å; L1032-L1034 HydrophobicContact CD2-CD2 3.75Å; L1032-L1034 HydrophobicContact CD2-CG 4.36Å; L1032-L1034 HydrophobicContact CG-CD2 3.82Å; L1032-L1034 HydrophobicContact CG-CG 4.31Å; L1034-L1036 HydrophobicContact CB-CD2 4.32Å |
| 1035 | E | 91.4 | Very high | 87.5 | Confident | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.1 | 166.7 | -94.9 | 166.4 | -142.9 | 0 | 0 | 110.5 | F846 H904 I906 L1015 V1019 Y1020 K1021 | F846-E1035 VanDerWaalsContact CZ-OE1 3.28Å; F846-E1035 WeakPolarHBondContact CZ-OE1 3.37Å; H904-E1035 HydrophobicContact CB-CB 3.95Å; H904-E1035 PolarHBondContact N-O 3.41Å; H904-E1035 PolarHBondContact O-N 3.46Å; I906-E1035 HydrophobicContact CD1-CB 3.96Å; I906-E1035 HydrophobicContact CD1-CG 3.69Å; I906-E1035 VanDerWaalsContact CD1-OE1 3.29Å; I906-E1035 WeakPolarHBondContact CD1-OE1 3.4Å; I906-E1035 HydrophobicContact CG1-CB 4.47Å; L1015-E1035 WeakPolarHBondContact CD2-OE2 3.04Å; V1019-E1035 HydrophobicContact CG1-CB 4.06Å; V1019-E1035 HydrophobicContact CG1-CG 3.97Å; Y1020-E1035 WeakPolarHBondContact O-CA 3.2Å; K1021-E1035 HydrophobicContact CB-CG 4.28Å; K1021-E1035 HydrophobicContact CG-CG 3.74Å; K1021-E1035 IonicContact NZ-OE1 2.68Å; K1021-E1035 PolarHBondContact NZ-OE1 3.16Å; K1021-E1035 IonicContact NZ-OE2 3.79Å; K1021-E1035 PolarHBondContact NZ-OE2 3.16Å |
| 1036 | L | 90.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.9 | -169.1 | -51.6 | -179.2 | 0 | 0 | 0 | 111.4 | F901 I902 L903 L986 V1019 Y1020 I1022 L1034 | F901-L1036 HydrophobicContact CE1-CD2 4.04Å; F901-L1036 HydrophobicContact CZ-CB 4.27Å; F901-L1036 HydrophobicContact CZ-CD1 4.1Å; F901-L1036 HydrophobicContact CZ-CD2 3.85Å; F901-L1036 HydrophobicContact CZ-CG 4.31Å; I902-L1036 WeakPolarHBondContact O-CA 3.32Å; L903-L1036 HydrophobicContact CB-CD2 4.47Å; L903-L1036 HydrophobicContact CD1-CD2 3.33Å; L903-L1036 HydrophobicContact CG-CD2 4.48Å; L986-L1036 HydrophobicContact CD2-CD1 3.61Å; V1019-L1036 WeakPolarHBondContact CA-O 3.29Å; Y1020-L1036 WeakPolarHBondContact CD2-O 3.41Å; Y1020-L1036 PolarHBondContact N-O 3.49Å; Y1020-L1036 PolarHBondContact O-N 3.33Å; I1022-L1036 HydrophobicContact CD1-CD1 3.57Å; I1022-L1036 HydrophobicContact CD1-CG 4.43Å; I1022-L1036 HydrophobicContact CG1-CD1 4.44Å; L1034-L1036 HydrophobicContact CB-CD2 4.32Å |
| 1037 | S | 87.2 | Confident | 85.6 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 162.4 | 160.5 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | I902 N1018 | I902-S1037 PolarHBondContact N-O 3.26Å; I902-S1037 PolarHBondContact O-N 3.46Å; N1018-S1037 VanDerWaalsContact O-CB 3.29Å; N1018-S1037 WeakPolarHBondContact O-CB 3.35Å |
| 1038 | H | 86.7 | Confident | 84 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.3 | -179.2 | 171.6 | -110.7 | 0 | 0 | 0 | 110.6 | N898 L900 F901 L987 | N898-H1038 PolarHBondContact O-CE1 3.43Å; N898-H1038 PolarHBondContact O-NE2 3.15Å; L900-H1038 WeakPolarHBondContact O-CA 3.38Å; L900-H1038 PolarHBondContact O-CD2 2.91Å; F901-H1038 HydrophobicContact CD2-CB 4.4Å; L987-H1038 HydrophobicContact CD2-CB 3.86Å |
| 1039 | I | 84.2 | Confident | 82.4 | Confident | 15 Ų | 15 | 47.7 Ų | 47.7 | 8% | 0.077 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112.4 | 175.5 | -51.4 | 176.3 | 0 | 0 | 0 | 106.9 | G899 L900 I902 L1008 V1012 K1043 L1044 | G899-I1039 CarbonylContact C-O 3.6Å; G899-I1039 WeakPolarHBondContact CA-O 3.28Å; L900-I1039 HydrophobicContact CB-CB 4.4Å; L900-I1039 PolarHBondContact N-O 3.04Å; L900-I1039 PolarHBondContact O-N 3.45Å; I902-I1039 HydrophobicContact CD1-CD1 4.31Å; L1008-I1039 HydrophobicContact CD1-CD1 4.18Å; V1012-I1039 HydrophobicContact CB-CD1 4.3Å; V1012-I1039 HydrophobicContact CG1-CD1 3.63Å; V1012-I1039 HydrophobicContact CG2-CD1 3.8Å; I1039-K1043 HydrophobicContact CG2-CB 4.07Å; I1039-L1044 HydrophobicContact CG2-CB 4.07Å |
| 1040 | P | 82.4 | Confident | 80.4 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 31% | 0.305 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 150.1 | 179.1 | 28.2 | -34.9 | 0 | 0 | 0 | 111.2 | E1042 K1043 L1044 | P1040-E1042 VanDerWaalsContact C-N 3.28Å; P1040-E1042 PolarHBondContact O-N 2.94Å; P1040-E1042 VanDerWaalsContact O-N 3.15Å; P1040-K1043 HydrophobicContact CG-CB 4.29Å; P1040-K1043 HydrophobicContact CG-CD 3.94Å; P1040-K1043 HydrophobicContact CG-CG 4.07Å; P1040-K1043 PolarHBondContact O-N 2.97Å; P1040-L1044 PolarHBondContact O-N 2.78Å |
| 1041 | L | 82.5 | Confident | 78.1 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -47.5 | -45 | -173.8 | -165.1 | 68.9 | 0 | 0 | 0 | 113.9 | N898 K1043 L1044 F1045 Y1273 P1289 | N898-L1041 HydrophobicContact CB-CB 4.34Å; N898-L1041 HydrophobicContact CB-CD2 4.43Å; N898-L1041 PolarHBondContact O-N 2.74Å; L1041-K1043 VanDerWaalsContact C-N 3.27Å; L1041-K1043 PolarHBondContact O-N 3.14Å; L1041-L1044 PolarHBondContact O-N 2.83Å; L1041-F1045 HydrophobicContact CD1-CD2 3.78Å; L1041-F1045 HydrophobicContact CD1-CE2 3.62Å; L1041-F1045 HydrophobicContact CG-CD2 4.25Å; L1041-F1045 PolarHBondContact O-N 3Å; L1041-F1045 VanDerWaalsContact O-N 3.12Å; L1041-Y1273 HydrophobicContact CD2-CD2 3.86Å; L1041-Y1273 HydrophobicContact CD2-CE2 3.4Å; L1041-Y1273 VanDerWaalsContact CD2-CE2 3.4Å; L1041-Y1273 HydrophobicContact CG-CD2 3.98Å; L1041-Y1273 HydrophobicContact CG-CE2 3.63Å; L1041-P1289 HydrophobicContact CD2-CG 3.76Å |
| 1042 | E | 76.4 | Confident | 75.2 | Confident | 138 Ų | 138 | 56 Ų | 56 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.1 | -32.3 | 178.4 | -62.1 | 168.4 | -165.6 | 0 | 0 | 114.2 | P1040 | P1040-E1042 VanDerWaalsContact C-N 3.28Å; P1040-E1042 PolarHBondContact O-N 2.94Å; P1040-E1042 VanDerWaalsContact O-N 3.15Å |
| 1043 | K | 78.9 | Confident | 72.1 | Confident | 132 Ų | 132 | 59 Ų | 59 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -88.2 | -34.7 | 177.4 | -65.8 | -174.2 | -178.9 | -177.8 | 0 | 111.6 | I1039 P1040 L1041 F1045 H1046 | I1039-K1043 HydrophobicContact CG2-CB 4.07Å; P1040-K1043 HydrophobicContact CG-CB 4.29Å; P1040-K1043 HydrophobicContact CG-CD 3.94Å; P1040-K1043 HydrophobicContact CG-CG 4.07Å; P1040-K1043 PolarHBondContact O-N 2.97Å; L1041-K1043 VanDerWaalsContact C-N 3.27Å; L1041-K1043 PolarHBondContact O-N 3.14Å; K1043-F1045 VanDerWaalsContact C-N 3.27Å; K1043-F1045 PolarHBondContact O-N 3.09Å; K1043-H1046 PolarHBondContact O-N 3.35Å |
| 1044 | L | 81 | Confident | 69 | Low | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 178.5 | -179.5 | 63.9 | 0 | 0 | 0 | 112.4 | L900 I1039 P1040 L1041 | L900-L1044 HydrophobicContact CB-CD1 3.81Å; L900-L1044 HydrophobicContact CB-CD2 3.85Å; L900-L1044 HydrophobicContact CB-CG 4.44Å; L900-L1044 HydrophobicContact CD2-CD1 3.99Å; L900-L1044 HydrophobicContact CG-CD1 4.47Å; I1039-L1044 HydrophobicContact CG2-CB 4.07Å; P1040-L1044 PolarHBondContact O-N 2.78Å; L1041-L1044 PolarHBondContact O-N 2.83Å |
| 1045 | F | 80.4 | Confident | 66 | Low | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 29.4 | -179.9 | -71.9 | -73.7 | 0 | 0 | 0 | 113.6 | L1041 K1043 R1047 R1190 P1269 V1270 Y1273 P1276 | L1041-F1045 HydrophobicContact CD1-CD2 3.78Å; L1041-F1045 HydrophobicContact CD1-CE2 3.62Å; L1041-F1045 HydrophobicContact CG-CD2 4.25Å; L1041-F1045 PolarHBondContact O-N 3Å; L1041-F1045 VanDerWaalsContact O-N 3.12Å; K1043-F1045 VanDerWaalsContact C-N 3.27Å; K1043-F1045 PolarHBondContact O-N 3.09Å; F1045-R1047 PolarHBondContact O-N 3.23Å; F1045-R1190 HydrophobicContact CD1-CG 3.87Å; F1045-R1190 HydrophobicContact CE1-CB 4.03Å; F1045-R1190 HydrophobicContact CE1-CG 3.6Å; F1045-R1190 HydrophobicContact CZ-CG 4.37Å; F1045-P1269 HydrophobicContact CE2-CB 4.25Å; F1045-P1269 HydrophobicContact CZ-CB 4.29Å; F1045-P1269 WeakPolarHBondContact CZ-O 3.34Å; F1045-V1270 HydrophobicContact CZ-CG2 4.32Å; F1045-Y1273 HydrophobicContact CB-CD1 3.31Å; F1045-Y1273 HydrophobicContact CB-CE1 3.85Å; F1045-Y1273 HydrophobicContact CB-CG 4.02Å; F1045-Y1273 AromaticContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD2 4.39Å; F1045-Y1273 AromaticContact CD2-CG 3.85Å; F1045-Y1273 HydrophobicContact CD2-CG 3.85Å; F1045-Y1273 AromaticContact CG-CD1 3.76Å; F1045-Y1273 HydrophobicContact CG-CD1 3.76Å; F1045-Y1273 AromaticContact CG-CG 3.93Å; F1045-Y1273 HydrophobicContact CG-CG 3.93Å; F1045-P1276 WeakPolarHBondContact O-CD 3.35Å |
| 1046 | H | 72.8 | Confident | 63.2 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | trans | -74.5 | 71.2 | 175.9 | -159.4 | 92.6 | 0 | 0 | 0 | 112.3 | K1043 N1048 P1276 | K1043-H1046 PolarHBondContact O-N 3.35Å; H1046-N1048 PolarHBondContact O-N 3.47Å; H1046-P1276 HydrophobicContact CB-CG 4.32Å | ||
| 1047 | R | 74.7 | Confident | 60.4 | Low | 14 Ų | 14 | 79.8 Ų | 79.8 | 5% | 0.053 | 43% | 0.428 | C | S | . | . | trans | -63.6 | 101.6 | 178.4 | -60.5 | 175.9 | -169.8 | -90.8 | 4.6 | 109.9 | F1045 Q1049 L1189 R1190 L1192 V1270 Y1273 | F1045-R1047 PolarHBondContact O-N 3.23Å; R1047-Q1049 PolarHBondContact O-N 3.37Å; R1047-L1189 PolarHBondContact NH1-O 2.93Å; R1047-R1190 PolarHBondContact NH1-O 2.91Å; R1047-R1190 VanDerWaalsContact NH1-O 3.14Å; R1047-L1192 VanDerWaalsContact CD-O 3.24Å; R1047-L1192 WeakPolarHBondContact CD-O 3.4Å; R1047-L1192 WeakPolarHBondContact CG-O 3.29Å; R1047-L1192 PolarHBondContact NH1-O 2.88Å; R1047-V1270 PolarHBondContact NH2-O 3.28Å; R1047-Y1273 PolarHBondContact NE-O 3.48Å | ||
| 1048 | N | 56.4 | Low | 57.8 | Low | 86 Ų | 86 | 83.7 Ų | 83.7 | 46% | 0.46 | 46% | 0.455 | S | S | . | . | trans | -80.3 | 112.2 | -177.7 | -92.1 | -56.3 | 0 | 0 | 0 | 111.1 | L1006 H1046 | L1006-N1048 PolarHBondContact O-ND2 2.77Å; H1046-N1048 PolarHBondContact O-N 3.47Å | ||
| 1049 | Q | 51.8 | Low | 55 | Low | 96 Ų | 96 | 86.8 Ų | 86.8 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | trans | -92.3 | -10.2 | -167.8 | -67.2 | -178.9 | -35.1 | 0 | 0 | 116 | R1047 P1193 | R1047-Q1049 PolarHBondContact O-N 3.37Å; Q1049-P1193 WeakPolarHBondContact CG-O 3.42Å; Q1049-P1193 PolarHBondContact NE2-O 3.28Å; Q1049-P1193 VanDerWaalsContact NE2-O 3.11Å | ||
| 1050 | H | 44.6 | Very low | 52.8 | Low | 166 Ų | 166 | 90.6 Ų | 90.6 | 77% | 0.769 | 51% | 0.507 | S | S | * | . | trans | -125.8 | 13.1 | -150.1 | -119.1 | -67.3 | 0 | 0 | 0 | 119.2 | L1052 | H1050-L1052 PolarHBondContact O-N 2.74Š| ||
| 1051 | L | 40 | Very low | 51 | Low | 102 Ų | 102 | 91.4 Ų | 91.4 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | trans | -91.4 | 14.4 | -178.5 | -83.4 | 166.8 | 0 | 0 | 0 | 115.3 | S1053 R1064 | L1051-S1053 PolarHBondContact O-N 3.03Å; L1051-S1053 VanDerWaalsContact O-N 3.14Å; L1051-R1064 VanDerWaalsContact CD1-NH1 3.29Å | ||
| 1052 | L | 33.3 | Very low | 49.3 | Very low | 154 Ų | 154 | 94.5 Ų | 94.5 | 81% | 0.806 | 53% | 0.533 | S | S | * | . | trans | -85.3 | 61 | 170.7 | -78.3 | 164.7 | 0 | 0 | 0 | 110.9 | H1050 | H1050-L1052 PolarHBondContact O-N 2.74Š| ||
| 1053 | S | 29.8 | Very low | 48.2 | Very low | 64 Ų | 64 | 90.3 Ų | 90.3 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -144.7 | 71 | 179.3 | 46 | 0 | 0 | 0 | 0 | 112.6 | L1051 S1055 | L1051-S1053 PolarHBondContact O-N 3.03Å; L1051-S1053 VanDerWaalsContact O-N 3.14Å; S1053-S1055 VanDerWaalsContact C-N 3.33Å; S1053-S1055 PolarHBondContact O-N 3.49Å; S1053-S1055 PolarHBondContact O-OG 3.44Å |
| 1054 | T | 30.5 | Very low | 47.5 | Very low | 157 Ų | 157 | 88.7 Ų | 88.7 | 96% | 0.963 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 60.7 | 19.1 | 142.4 | -26.7 | 0 | 0 | 0 | 0 | 118.8 | ||
| 1055 | S | 29.9 | Very low | 47.6 | Very low | 99 Ų | 99 | 90.1 Ų | 90.1 | 69% | 0.692 | 51% | 0.513 | S | S | * | . | trans | -144 | -14 | -173.8 | 52.4 | 0 | 0 | 0 | 0 | 117.5 | S1053 L1057 | S1053-S1055 VanDerWaalsContact C-N 3.33Å; S1053-S1055 PolarHBondContact O-N 3.49Å; S1053-S1055 PolarHBondContact O-OG 3.44Å; S1055-L1057 VanDerWaalsContact C-N 3.3Å; S1055-L1057 PolarHBondContact O-N 3.37Å | ||
| 1056 | A | 33.2 | Very low | 47.9 | Very low | 54 Ų | 54 | 90.2 Ų | 90.2 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | trans | -81.3 | 45.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S1058 | A1056-S1058 PolarHBondContact O-N 3.36Š| ||
| 1057 | L | 31.6 | Very low | 48.6 | Very low | 171 Ų | 171 | 86.5 Ų | 86.5 | 90% | 0.895 | 50% | 0.497 | S | S | * | . | trans | -77.4 | -1.5 | 175 | -103.4 | 72.1 | 0 | 0 | 0 | 114.2 | S1055 S1059 | S1055-L1057 VanDerWaalsContact C-N 3.3Å; S1055-L1057 PolarHBondContact O-N 3.37Å; L1057-S1059 PolarHBondContact O-N 3.27Å | ||
| 1058 | S | 31.7 | Very low | 49.1 | Very low | 88 Ų | 88 | 87.6 Ų | 87.6 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -79.8 | 77.7 | -176.9 | 57.6 | 0 | 0 | 0 | 0 | 114 | A1056 T1060 | A1056-S1058 PolarHBondContact O-N 3.36Å; S1058-T1060 PolarHBondContact O-N 2.97Å |
| 1059 | S | 29 | Very low | 50.7 | Low | 116 Ų | 116 | 83.9 Ų | 83.9 | 81% | 0.811 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 52 | 21.4 | 139 | 65.2 | 0 | 0 | 0 | 0 | 122.2 | L1057 | L1057-S1059 PolarHBondContact O-N 3.27Š|
| 1060 | T | 37.1 | Very low | 52.5 | Low | 94 Ų | 94 | 81 Ų | 81 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | trans | -132.7 | -1.7 | 162.5 | 55.6 | 0 | 0 | 0 | 0 | 114.5 | S1058 T1062 | S1058-T1060 PolarHBondContact O-N 2.97Å; T1060-T1062 VanDerWaalsContact C-N 3.32Å; T1060-T1062 PolarHBondContact O-N 3.28Å | ||
| 1061 | S | 44.9 | Very low | 54.7 | Low | 64 Ų | 64 | 73.6 Ų | 73.6 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -78.7 | 13.3 | -158.4 | 49.3 | 0 | 0 | 0 | 0 | 117.8 | D1063 R1064 | S1061-D1063 VanDerWaalsContact C-N 3.32Å; S1061-D1063 PolarHBondContact O-N 2.83Å; S1061-R1064 PolarHBondContact O-N 2.69Å |
| 1062 | T | 47.1 | Very low | 57.1 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 53% | 0.534 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -66.2 | -23 | -170.4 | 43.4 | 0 | 0 | 0 | 0 | 116.1 | T1060 L1065 | T1060-T1062 VanDerWaalsContact C-N 3.32Å; T1060-T1062 PolarHBondContact O-N 3.28Å; T1062-L1065 WeakPolarHBondContact O-CG 3.4Å |
| 1063 | D | 54.2 | Low | 59.8 | Low | 51 Ų | 51 | 68.7 Ų | 68.7 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -79.3 | -19.7 | -177.6 | -81.1 | -36.3 | 0 | 0 | 0 | 114.5 | S1061 L1065 N1143 | S1061-D1063 VanDerWaalsContact C-N 3.32Å; S1061-D1063 PolarHBondContact O-N 2.83Å; D1063-L1065 PolarHBondContact O-N 3.07Å; D1063-L1065 VanDerWaalsContact O-N 3.09Å; D1063-N1143 PolarHBondContact OD1-ND2 3.24Å; D1063-N1143 VanDerWaalsContact OD1-ND2 3.07Å |
| 1064 | R | 64.2 | Low | 62.7 | Low | 98 Ų | 98 | 66.1 Ų | 66.1 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -81.1 | 20 | -177.1 | -63.4 | -168.3 | -175.6 | 177.3 | 4 | 114.2 | I1007 L1051 S1061 V1069 | I1007-R1064 HydrophobicContact CD1-CG 4.45Å; L1051-R1064 VanDerWaalsContact CD1-NH1 3.29Å; S1061-R1064 PolarHBondContact O-N 2.69Å; R1064-V1069 WeakPolarHBondContact O-CG2 3.46Å |
| 1065 | L | 81.2 | Confident | 65.6 | Low | 45 Ų | 45 | 58.6 Ų | 58.6 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -78.7 | -30.1 | 178.8 | -67.7 | 178 | 0 | 0 | 0 | 112.8 | T1062 D1063 R1077 T1146 K1147 L1150 | T1062-L1065 WeakPolarHBondContact O-CG 3.4Å; D1063-L1065 PolarHBondContact O-N 3.07Å; D1063-L1065 VanDerWaalsContact O-N 3.09Å; L1065-R1077 PolarHBondContact O-NH1 3.29Å; L1065-T1146 HydrophobicContact CB-CG2 4.35Å; L1065-T1146 WeakPolarHBondContact O-CG2 3.39Å; L1065-K1147 HydrophobicContact CD1-CB 3.74Å; L1065-K1147 HydrophobicContact CD1-CD 4.08Å; L1065-K1147 HydrophobicContact CD1-CG 3.93Å; L1065-L1150 HydrophobicContact CD2-CD1 4.26Å |
| 1066 | L | 88 | Confident | 68.4 | Low | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | -40.9 | -179 | 175.2 | 62.1 | 0 | 0 | 0 | 112.5 | L1074 F1107 F1142 T1146 F1188 | L1066-L1074 HydrophobicContact CD1-CD2 3.94Å; L1066-F1107 HydrophobicContact CD1-CB 4.23Å; L1066-F1107 HydrophobicContact CD2-CB 4.06Å; L1066-F1107 HydrophobicContact CD2-CD2 3.96Å; L1066-F1107 HydrophobicContact CD2-CG 4.1Å; L1066-F1142 HydrophobicContact CD2-CB 3.7Å; L1066-F1142 HydrophobicContact CD2-CD1 4.5Å; L1066-F1142 HydrophobicContact CD2-CG 4.35Å; L1066-T1146 HydrophobicContact CB-CG2 4.35Å; L1066-F1188 HydrophobicContact CD1-CE2 4.25Å |
| 1067 | F | 88.3 | Confident | 71 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 143.4 | -179.2 | -59.3 | -99.3 | 0 | 0 | 0 | 110 | V1069 F1107 R1139 V1184 F1188 E1191 | F1067-V1069 PolarHBondContact O-N 3.03Å; F1067-F1107 HydrophobicContact CE1-CZ 4.38Å; F1067-F1107 HydrophobicContact CZ-CE2 4.07Å; F1067-F1107 HydrophobicContact CZ-CZ 4.37Å; F1067-R1139 VanDerWaalsContact CD1-NH1 3.25Å; F1067-R1139 HydrophobicContact CD2-CG 4.21Å; F1067-R1139 HydrophobicContact CE2-CG 3.65Å; F1067-R1139 VanDerWaalsContact CG-CZ 3.46Å; F1067-R1139 HydrophobicContact CZ-CG 3.88Å; F1067-V1184 HydrophobicContact CE1-CG1 3.83Å; F1067-V1184 HydrophobicContact CZ-CG1 3.66Å; F1067-F1188 HydrophobicContact CD1-CB 4.06Å; F1067-F1188 HydrophobicContact CD1-CD2 4.18Å; F1067-F1188 HydrophobicContact CE1-CB 3.83Å; F1067-F1188 HydrophobicContact CE1-CD2 4.29Å; F1067-E1191 WeakPolarHBondContact CB-OE2 3.42Å |
| 1068 | G | 85 | Confident | 73.7 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 5.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1191 | G1068-E1191 WeakPolarHBondContact CA-O 3.36Š|
| 1069 | V | 88.4 | Confident | 76.3 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | trans | -85.6 | 149.4 | 175 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | R1064 F1067 E1073 L1074 P1193 | R1064-V1069 WeakPolarHBondContact O-CG2 3.46Å; F1067-V1069 PolarHBondContact O-N 3.03Å; V1069-E1073 HydrophobicContact CG1-CB 3.87Å; V1069-E1073 HydrophobicContact CG1-CG 4.22Å; V1069-E1073 WeakPolarHBondContact CG1-OE2 3.48Å; V1069-L1074 HydrophobicContact CB-CD1 4.34Å; V1069-L1074 HydrophobicContact CB-CD2 3.99Å; V1069-L1074 HydrophobicContact CB-CG 4.02Å; V1069-L1074 HydrophobicContact CG1-CD2 3.8Å; V1069-L1074 HydrophobicContact CG1-CG 3.77Å; V1069-P1193 VanDerWaalsContact O-CD 3.29Å; V1069-P1193 WeakPolarHBondContact O-CD 3.37Å | ||
| 1070 | S | 90.5 | Very high | 79.1 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | trans | -69.8 | 155.2 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | D1072 E1073 L1074 | S1070-D1072 VanDerWaalsContact C-N 3.27Å; S1070-D1072 PolarHBondContact O-N 2.8Å; S1070-E1073 PolarHBondContact O-N 2.73Å; S1070-E1073 WeakPolarHBondContact OG-CB 3.25Å; S1070-E1073 PolarHBondContact OG-N 3.19Å; S1070-L1074 WeakPolarHBondContact O-CG 3.49Å; S1070-L1074 PolarHBondContact O-N 3.04Å; S1070-L1074 VanDerWaalsContact O-N 3.16Å | ||
| 1071 | I | 91.4 | Very high | 81.5 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 175.7 | -69.2 | 173.7 | 0 | 0 | 0 | 110.2 | E1073 L1074 I1075 L1192 L1196 N1234 N1235 I1238 | I1071-E1073 PolarHBondContact O-N 3.46Å; I1071-L1074 PolarHBondContact O-N 3.46Å; I1071-I1075 HydrophobicContact CG2-CD1 3.67Å; I1071-I1075 HydrophobicContact CG2-CG1 4.19Å; I1071-I1075 WeakPolarHBondContact O-CB 3.46Å; I1071-I1075 WeakPolarHBondContact O-CG1 3.48Å; I1071-I1075 PolarHBondContact O-N 3.01Å; I1071-L1192 HydrophobicContact CD1-CD1 4.06Å; I1071-L1192 HydrophobicContact CG1-CD1 4.12Å; I1071-L1192 HydrophobicContact CG1-CD2 4.16Å; I1071-L1196 HydrophobicContact CD1-CD1 3.63Å; I1071-N1234 HydrophobicContact CG2-CB 4.09Å; I1071-N1235 HydrophobicContact CD1-CB 4.48Å; I1071-I1238 HydrophobicContact CG2-CD1 3.69Å |
| 1072 | D | 90.5 | Very high | 83.3 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.5 | -42.6 | -177.2 | -47 | -80.2 | 0 | 0 | 0 | 112.4 | S1070 I1075 E1076 N1234 | S1070-D1072 VanDerWaalsContact C-N 3.27Å; S1070-D1072 PolarHBondContact O-N 2.8Å; D1072-I1075 PolarHBondContact O-N 2.99Å; D1072-E1076 WeakPolarHBondContact O-CB 3.26Å; D1072-E1076 PolarHBondContact O-N 2.8Å; D1072-N1234 PolarHBondContact OD1-ND2 2.85Å |
| 1073 | E | 90 | Very high | 85.1 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.1 | -37.4 | 177.4 | -165 | -167.3 | 157.9 | 0 | 0 | 111.4 | V1069 S1070 I1071 R1077 | V1069-E1073 HydrophobicContact CG1-CB 3.87Å; V1069-E1073 HydrophobicContact CG1-CG 4.22Å; V1069-E1073 WeakPolarHBondContact CG1-OE2 3.48Å; S1070-E1073 PolarHBondContact O-N 2.73Å; S1070-E1073 WeakPolarHBondContact OG-CB 3.25Å; S1070-E1073 PolarHBondContact OG-N 3.19Å; I1071-E1073 PolarHBondContact O-N 3.46Å; E1073-R1077 WeakPolarHBondContact O-CB 3.39Å; E1073-R1077 VanDerWaalsContact O-CD 3.26Å; E1073-R1077 WeakPolarHBondContact O-CD 3.48Å; E1073-R1077 WeakPolarHBondContact O-CG 3.31Å; E1073-R1077 PolarHBondContact O-N 3.44Å; E1073-R1077 IonicContact OE1-CZ 2.86Å; E1073-R1077 VanDerWaalsContact OE1-CZ 3.27Å; E1073-R1077 IonicContact OE1-NE 2.65Å; E1073-R1077 PolarHBondContact OE1-NE 3.06Å; E1073-R1077 IonicContact OE1-NH2 3.92Å; E1073-R1077 PolarHBondContact OE1-NH2 3.15Å; E1073-R1077 IonicContact OE2-NH2 3.27Å |
| 1074 | L | 90.7 | Very high | 86.6 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 174.2 | -68.2 | 177 | 0 | 0 | 0 | 112.1 | L1066 V1069 S1070 I1071 R1077 E1078 P1105 F1188 | L1066-L1074 HydrophobicContact CD1-CD2 3.94Å; V1069-L1074 HydrophobicContact CB-CD1 4.34Å; V1069-L1074 HydrophobicContact CB-CD2 3.99Å; V1069-L1074 HydrophobicContact CB-CG 4.02Å; V1069-L1074 HydrophobicContact CG1-CD2 3.8Å; V1069-L1074 HydrophobicContact CG1-CG 3.77Å; S1070-L1074 WeakPolarHBondContact O-CG 3.49Å; S1070-L1074 PolarHBondContact O-N 3.04Å; S1070-L1074 VanDerWaalsContact O-N 3.16Å; I1071-L1074 PolarHBondContact O-N 3.46Å; L1074-R1077 PolarHBondContact O-N 3.25Å; L1074-E1078 PolarHBondContact O-N 3.13Å; L1074-E1078 VanDerWaalsContact O-N 3.09Å; L1074-P1105 HydrophobicContact CB-CG 4.2Å; L1074-F1188 HydrophobicContact CD1-CE2 3.67Å; L1074-F1188 HydrophobicContact CD1-CZ 3.57Å |
| 1075 | I | 89.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 177.8 | -73.8 | -177.1 | 0 | 0 | 0 | 111.5 | I1071 D1072 E1078 R1079 F1103 P1105 N1234 I1238 | I1071-I1075 HydrophobicContact CG2-CD1 3.67Å; I1071-I1075 HydrophobicContact CG2-CG1 4.19Å; I1071-I1075 WeakPolarHBondContact O-CB 3.46Å; I1071-I1075 WeakPolarHBondContact O-CG1 3.48Å; I1071-I1075 PolarHBondContact O-N 3.01Å; D1072-I1075 PolarHBondContact O-N 2.99Å; I1075-E1078 PolarHBondContact O-N 3.28Å; I1075-R1079 WeakPolarHBondContact O-CG 3.38Å; I1075-R1079 PolarHBondContact O-N 3.39Å; I1075-F1103 WeakPolarHBondContact CG1-O 3.46Å; I1075-F1103 HydrophobicContact CG2-CB 3.88Å; I1075-P1105 HydrophobicContact CG1-CG 4.46Å; I1075-N1234 HydrophobicContact CD1-CB 3.69Å; I1075-N1234 WeakPolarHBondContact CD1-O 3.41Å; I1075-I1238 HydrophobicContact CD1-CD1 4.03Å; I1075-I1238 HydrophobicContact CD1-CG1 4.38Å; I1075-I1238 HydrophobicContact CG1-CD1 4.42Å |
| 1076 | E | 88.6 | Confident | 87 | Confident | 85 Ų | 85 | 37.6 Ų | 37.6 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 177.5 | -160.9 | 56.6 | -137 | 0 | 0 | 112 | D1072 E1078 R1079 V1080 | D1072-E1076 WeakPolarHBondContact O-CB 3.26Å; D1072-E1076 PolarHBondContact O-N 2.8Å; E1076-E1078 VanDerWaalsContact C-N 3.34Å; E1076-E1078 PolarHBondContact O-N 2.85Å; E1076-R1079 WeakPolarHBondContact O-CB 3.42Å; E1076-R1079 PolarHBondContact O-N 3.15Å; E1076-R1079 WeakPolarHBondContact OE2-CD 3.37Å; E1076-R1079 IonicContact OE2-CZ 3.18Å; E1076-R1079 IonicContact OE2-NE 3.72Å; E1076-R1079 IonicContact OE2-NH1 2.73Å; E1076-R1079 PolarHBondContact OE2-NH1 3.23Å; E1076-V1080 WeakPolarHBondContact O-CG2 3.5Å; E1076-V1080 PolarHBondContact O-N 3.3Å |
| 1077 | R | 88.9 | Confident | 85.8 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 169.9 | -67.9 | 159.9 | 179.3 | -162.8 | 3.8 | 111.8 | L1065 E1073 L1074 V1080 I1081 L1150 | L1065-R1077 PolarHBondContact O-NH1 3.29Å; E1073-R1077 WeakPolarHBondContact O-CB 3.39Å; E1073-R1077 VanDerWaalsContact O-CD 3.26Å; E1073-R1077 WeakPolarHBondContact O-CD 3.48Å; E1073-R1077 WeakPolarHBondContact O-CG 3.31Å; E1073-R1077 PolarHBondContact O-N 3.44Å; E1073-R1077 IonicContact OE1-CZ 2.86Å; E1073-R1077 VanDerWaalsContact OE1-CZ 3.27Å; E1073-R1077 IonicContact OE1-NE 2.65Å; E1073-R1077 PolarHBondContact OE1-NE 3.06Å; E1073-R1077 IonicContact OE1-NH2 3.92Å; E1073-R1077 PolarHBondContact OE1-NH2 3.15Å; E1073-R1077 IonicContact OE2-NH2 3.27Å; L1074-R1077 PolarHBondContact O-N 3.25Å; R1077-V1080 PolarHBondContact O-N 2.87Å; R1077-I1081 VanDerWaalsContact O-CG1 3.29Å; R1077-I1081 WeakPolarHBondContact O-CG1 3.5Å; R1077-I1081 PolarHBondContact O-N 2.85Å; R1077-L1150 HydrophobicContact CG-CD2 4.38Å |
| 1078 | E | 88.5 | Confident | 84.3 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 173.6 | -67.1 | -62.9 | 163.8 | 0 | 0 | 112.5 | L1074 I1075 E1076 V1080 I1081 C1082 P1105 L1106 | L1074-E1078 PolarHBondContact O-N 3.13Å; L1074-E1078 VanDerWaalsContact O-N 3.09Å; I1075-E1078 PolarHBondContact O-N 3.28Å; E1076-E1078 VanDerWaalsContact C-N 3.34Å; E1076-E1078 PolarHBondContact O-N 2.85Å; E1078-V1080 VanDerWaalsContact C-N 3.3Å; E1078-V1080 PolarHBondContact O-N 3.37Å; E1078-I1081 WeakPolarHBondContact O-CB 3.23Å; E1078-I1081 PolarHBondContact O-N 2.9Å; E1078-I1081 VanDerWaalsContact O-N 3.13Å; E1078-C1082 WeakPolarHBondContact O-CB 3.5Å; E1078-C1082 PolarHBondContact O-N 3.05Å; E1078-C1082 PolarHBondContact O-SG 2.92Å; E1078-P1105 WeakPolarHBondContact OE1-CA 3.22Å; E1078-L1106 WeakPolarHBondContact OE1-CB 3.23Å; E1078-L1106 PolarHBondContact OE1-N 3.25Å |
| 1079 | R | 86.9 | Confident | 82 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 174.4 | -74.9 | 167.4 | -179.6 | 157.9 | 7.5 | 111.2 | I1075 E1076 C1082 Q1083 F1103 N1234 | I1075-R1079 WeakPolarHBondContact O-CG 3.38Å; I1075-R1079 PolarHBondContact O-N 3.39Å; E1076-R1079 WeakPolarHBondContact O-CB 3.42Å; E1076-R1079 PolarHBondContact O-N 3.15Å; E1076-R1079 WeakPolarHBondContact OE2-CD 3.37Å; E1076-R1079 IonicContact OE2-CZ 3.18Å; E1076-R1079 IonicContact OE2-NE 3.72Å; E1076-R1079 IonicContact OE2-NH1 2.73Å; E1076-R1079 PolarHBondContact OE2-NH1 3.23Å; R1079-C1082 WeakPolarHBondContact O-CB 3.02Å; R1079-C1082 PolarHBondContact O-N 2.8Å; R1079-Q1083 WeakPolarHBondContact O-CG 3.36Å; R1079-Q1083 PolarHBondContact O-N 2.83Å; R1079-F1103 HydrophobicContact CB-CD1 4.34Å; R1079-F1103 HydrophobicContact CB-CE1 4.21Å; R1079-F1103 HydrophobicContact CG-CB 4.45Å; R1079-F1103 HydrophobicContact CG-CD1 3.54Å; R1079-F1103 HydrophobicContact CG-CD2 3.83Å; R1079-F1103 HydrophobicContact CG-CE1 3.6Å; R1079-F1103 HydrophobicContact CG-CE2 3.88Å; R1079-F1103 HydrophobicContact CG-CG 3.67Å; R1079-F1103 HydrophobicContact CG-CZ 3.78Å; R1079-N1234 PolarHBondContact NH2-OD1 2.78Å |
| 1080 | V | 87.9 | Confident | 79.6 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 26% | 0.255 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | E1076 R1077 E1078 C1082 Q1083 I1084 I1153 | E1076-V1080 WeakPolarHBondContact O-CG2 3.5Å; E1076-V1080 PolarHBondContact O-N 3.3Å; R1077-V1080 PolarHBondContact O-N 2.87Å; E1078-V1080 VanDerWaalsContact C-N 3.3Å; E1078-V1080 PolarHBondContact O-N 3.37Å; V1080-C1082 VanDerWaalsContact C-N 3.35Å; V1080-C1082 PolarHBondContact O-N 2.84Å; V1080-Q1083 PolarHBondContact O-N 2.91Å; V1080-I1084 HydrophobicContact CG1-CD1 3.6Å; V1080-I1084 HydrophobicContact CG1-CG1 4.31Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.16Å; V1080-I1084 PolarHBondContact O-N 3.43Å; V1080-I1153 HydrophobicContact CG1-CG2 3.62Å |
| 1081 | I | 86.3 | Confident | 77 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.046 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 172.8 | -71.2 | 162.9 | 0 | 0 | 0 | 111 | R1077 E1078 T1085 T1149 I1153 I1161 I1165 | R1077-I1081 VanDerWaalsContact O-CG1 3.29Å; R1077-I1081 WeakPolarHBondContact O-CG1 3.5Å; R1077-I1081 PolarHBondContact O-N 2.85Å; E1078-I1081 WeakPolarHBondContact O-CB 3.23Å; E1078-I1081 PolarHBondContact O-N 2.9Å; E1078-I1081 VanDerWaalsContact O-N 3.13Å; I1081-T1085 HydrophobicContact CG2-CG2 4.31Å; I1081-T1085 VanDerWaalsContact O-CB 3.29Å; I1081-T1085 WeakPolarHBondContact O-CB 3.47Å; I1081-T1085 VanDerWaalsContact O-CG2 3.29Å; I1081-T1085 WeakPolarHBondContact O-CG2 3.34Å; I1081-T1085 PolarHBondContact O-N 2.65Å; I1081-T1085 PolarHBondContact O-OG1 3.19Å; I1081-T1149 HydrophobicContact CD1-CG2 3.59Å; I1081-T1149 HydrophobicContact CG1-CG2 4Å; I1081-I1153 HydrophobicContact CD1-CD1 4.15Å; I1081-I1153 HydrophobicContact CG1-CD1 3.69Å; I1081-I1153 HydrophobicContact CG1-CG1 4.17Å; I1081-I1161 HydrophobicContact CG2-CG2 4.01Å; I1081-I1165 HydrophobicContact CG2-CD1 4.12Å |
| 1082 | C | 82.7 | Confident | 74.5 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 12% | 0.122 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.9 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | E1078 R1079 V1080 G1086 Y1088 F1103 | E1078-C1082 WeakPolarHBondContact O-CB 3.5Å; E1078-C1082 PolarHBondContact O-N 3.05Å; E1078-C1082 PolarHBondContact O-SG 2.92Å; R1079-C1082 WeakPolarHBondContact O-CB 3.02Å; R1079-C1082 PolarHBondContact O-N 2.8Å; V1080-C1082 VanDerWaalsContact C-N 3.35Å; V1080-C1082 PolarHBondContact O-N 2.84Å; C1082-G1086 WeakPolarHBondContact O-CA 3.41Å; C1082-G1086 PolarHBondContact O-N 3.01Å; C1082-Y1088 HydrophobicContact CB-CD2 4.32Å; C1082-Y1088 WeakPolarHBondContact SG-CD2 3.35Å; C1082-F1103 HydrophobicContact CB-CE1 3.94Å |
| 1083 | Q | 84.1 | Confident | 71.9 | Confident | 142 Ų | 142 | 61 Ų | 61 | 66% | 0.664 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.6 | -51 | 178.6 | -70.9 | 164.9 | 26.5 | 0 | 0 | 112.1 | R1079 V1080 | R1079-Q1083 WeakPolarHBondContact O-CG 3.36Å; R1079-Q1083 PolarHBondContact O-N 2.83Å; V1080-Q1083 PolarHBondContact O-N 2.91Å |
| 1084 | I | 86 | Confident | 69 | Low | 45 Ų | 45 | 63.2 Ų | 63.2 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -46.2 | -178.5 | -65.9 | 168.9 | 0 | 0 | 0 | 110.9 | V1080 I1153 E1156 A1158 I1161 | V1080-I1084 HydrophobicContact CG1-CD1 3.6Å; V1080-I1084 HydrophobicContact CG1-CG1 4.31Å; V1080-I1084 WeakPolarHBondContact O-CG1 3.16Å; V1080-I1084 PolarHBondContact O-N 3.43Å; I1084-I1153 HydrophobicContact CD1-CB 4.4Å; I1084-I1153 HydrophobicContact CD1-CG1 4.38Å; I1084-I1153 HydrophobicContact CD1-CG2 4.08Å; I1084-E1156 WeakPolarHBondContact CG2-O 3.34Å; I1084-A1158 HydrophobicContact CG2-CB 3.86Å; I1084-A1158 VanDerWaalsContact O-CB 3.27Å; I1084-A1158 WeakPolarHBondContact O-CB 3.13Å; I1084-I1161 HydrophobicContact CB-CD1 4.32Å; I1084-I1161 HydrophobicContact CD1-CD1 4.37Å; I1084-I1161 HydrophobicContact CG2-CD1 3.82Å |
| 1085 | T | 81.9 | Confident | 66.2 | Low | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.043 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.5 | -26.8 | -170.7 | 64.7 | 0 | 0 | 0 | 0 | 114.3 | I1081 L1087 I1161 K1162 | I1081-T1085 HydrophobicContact CG2-CG2 4.31Å; I1081-T1085 VanDerWaalsContact O-CB 3.29Å; I1081-T1085 WeakPolarHBondContact O-CB 3.47Å; I1081-T1085 VanDerWaalsContact O-CG2 3.29Å; I1081-T1085 WeakPolarHBondContact O-CG2 3.34Å; I1081-T1085 PolarHBondContact O-N 2.65Å; I1081-T1085 PolarHBondContact O-OG1 3.19Å; T1085-L1087 HydrophobicContact CG2-CD1 4.19Å; T1085-L1087 PolarHBondContact O-N 3.13Å; T1085-L1087 WeakPolarHBondContact OG1-CB 3.44Å; T1085-L1087 WeakPolarHBondContact OG1-CG 3.3Å; T1085-L1087 PolarHBondContact OG1-N 3.16Å; T1085-L1087 VanDerWaalsContact OG1-N 3.15Å; T1085-I1161 HydrophobicContact CG2-CB 3.69Å; T1085-I1161 HydrophobicContact CG2-CD1 4.12Å; T1085-I1161 HydrophobicContact CG2-CG2 3.46Å; T1085-I1161 VanDerWaalsContact CG2-CG2 3.46Å; T1085-K1162 HydrophobicContact CG2-CG 4.45Å; T1085-K1162 WeakPolarHBondContact O-CE 3.41Å; T1085-K1162 PolarHBondContact O-NZ 3.17Å |
| 1086 | G | 71.8 | Confident | 63.4 | Low | 53 Ų | 53 | 73.2 Ų | 73.2 | 55% | 0.546 | 37% | 0.372 | S | S | . | . | trans | 61.3 | 18.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | C1082 Y1088 | C1082-G1086 WeakPolarHBondContact O-CA 3.41Å; C1082-G1086 PolarHBondContact O-N 3.01Å; G1086-Y1088 PolarHBondContact O-N 3.47Å | ||
| 1087 | L | 64.2 | Low | 60.6 | Low | 53 Ų | 53 | 77.3 Ų | 77.3 | 28% | 0.277 | 40% | 0.397 | S | S | . | . | trans | -63.5 | -24.1 | -177.3 | -85.4 | 170 | 0 | 0 | 0 | 113.5 | T1085 K1162 I1165 W1319 | T1085-L1087 HydrophobicContact CG2-CD1 4.19Å; T1085-L1087 PolarHBondContact O-N 3.13Å; T1085-L1087 WeakPolarHBondContact OG1-CB 3.44Å; T1085-L1087 WeakPolarHBondContact OG1-CG 3.3Å; T1085-L1087 PolarHBondContact OG1-N 3.16Å; T1085-L1087 VanDerWaalsContact OG1-N 3.15Å; L1087-K1162 HydrophobicContact CD1-CG 3.94Å; L1087-K1162 HydrophobicContact CD2-CD 4.45Å; L1087-K1162 HydrophobicContact CD2-CG 4.09Å; L1087-K1162 HydrophobicContact CG-CG 4.03Å; L1087-I1165 HydrophobicContact CD1-CD1 3.92Å; L1087-W1319 HydrophobicContact CD2-CH2 4.39Å | ||
| 1088 | Y | 55.3 | Low | 58.1 | Low | 75 Ų | 75 | 78.8 Ų | 78.8 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -104.2 | 86.3 | 176.9 | -69.8 | -91.1 | 0 | 0 | 0 | 110.2 | C1082 G1086 K1109 | C1082-Y1088 HydrophobicContact CB-CD2 4.32Å; C1082-Y1088 WeakPolarHBondContact SG-CD2 3.35Å; G1086-Y1088 PolarHBondContact O-N 3.47Å; Y1088-K1109 PolarHBondContact OH-NZ 3.03Å |
| 1089 | S | 36.6 | Very low | 55.4 | Low | 64 Ų | 64 | 85.2 Ų | 85.2 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | trans | -63.2 | 142.1 | 165.8 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | K1091 Q1092 | S1089-K1091 PolarHBondContact O-N 3.5Å; S1089-Q1092 PolarHBondContact O-N 3.49Å | ||
| 1090 | P | 38.6 | Very low | 53.2 | Low | 95 Ų | 95 | 87.8 Ų | 87.8 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 26.8 | 177.8 | -19.2 | 30.1 | 0 | 0 | 0 | 116.3 | Y1101 | P1090-Y1101 HydrophobicContact CB-CE1 3.81Å; P1090-Y1101 HydrophobicContact CG-CE1 3.84Å; P1090-Y1101 WeakPolarHBondContact CG-OH 3.38Å |
| 1091 | K | 37.1 | Very low | 51.5 | Low | 171 Ų | 171 | 91.8 Ų | 91.8 | 74% | 0.743 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | -12 | -174.4 | -65.7 | -176 | 175.3 | -177 | 0 | 113.8 | S1089 | S1089-K1091 PolarHBondContact O-N 3.5Š|
| 1092 | Q | 38 | Very low | 50.4 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -106.5 | 70.2 | 177.5 | -77.2 | -173.8 | -32 | 0 | 0 | 110.9 | S1089 | S1089-Q1092 PolarHBondContact O-N 3.49Š|
| 1093 | L | 35 | Very low | 50.1 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | trans | 171.1 | 96.4 | 151.9 | -95 | 171.5 | 0 | 0 | 0 | 106.4 | Y1095 M1102 Y1311 | L1093-Y1095 PolarHBondContact O-N 3.33Å; L1093-M1102 HydrophobicContact CD1-CB 4.13Å; L1093-Y1311 HydrophobicContact CD2-CD1 4.29Å; L1093-Y1311 HydrophobicContact CD2-CE1 3.62Å | ||
| 1094 | I | 29.8 | Very low | 50.3 | Low | 121 Ų | 121 | 87.8 Ų | 87.8 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | trans | -82.5 | 75.6 | 178.2 | -53.3 | 179.3 | 0 | 0 | 0 | 108.9 | Q1096 | I1094-Q1096 HydrophobicContact CG2-CG 4.26Å; I1094-Q1096 PolarHBondContact O-N 2.92Å | ||
| 1095 | Y | 32.9 | Very low | 50.5 | Low | 59 Ų | 59 | 85.8 Ų | 85.8 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | trans | -70 | 118.6 | 155.3 | -105.5 | -72.1 | 0 | 0 | 0 | 108 | L1093 M1102 R1307 Y1311 | L1093-Y1095 PolarHBondContact O-N 3.33Å; Y1095-M1102 HydrophobicContact CD2-SD 4.16Å; Y1095-M1102 HydrophobicContact CE2-SD 3.55Å; Y1095-M1102 VanDerWaalsContact CE2-SD 3.55Å; Y1095-R1307 PolarHBondContact OH-NH1 2.89Å; Y1095-Y1311 WeakPolarHBondContact CD2-OH 3.35Å; Y1095-Y1311 WeakPolarHBondContact CE2-OH 3.35Å | ||
| 1096 | Q | 29.9 | Very low | 50.9 | Low | 160 Ų | 160 | 86.3 Ų | 86.3 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 125.9 | 170.8 | -66 | -176.2 | -9.1 | 0 | 0 | 108.3 | I1094 | I1094-Q1096 HydrophobicContact CG2-CG 4.26Å; I1094-Q1096 PolarHBondContact O-N 2.92Å |
| 1097 | N | 30.4 | Very low | 51.9 | Low | 171 Ų | 171 | 84 Ų | 84 | 91% | 0.914 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 7.3 | 176.8 | -70.5 | 1.6 | 0 | 0 | 0 | 120.6 | ||
| 1098 | T | 35.9 | Very low | 53.4 | Low | 76 Ų | 76 | 81.5 Ų | 81.5 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | trans | -134.2 | 147 | 160.2 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | D1100 | T1098-D1100 VanDerWaalsContact C-N 3.27Å; T1098-D1100 WeakPolarHBondContact CB-OD2 3.46Å; T1098-D1100 PolarHBondContact O-N 3Å | ||
| 1099 | N | 31.7 | Very low | 55.1 | Low | 155 Ų | 155 | 80.6 Ų | 80.6 | 83% | 0.829 | 41% | 0.407 | S | S | * | . | trans | -92.3 | 16 | -178.2 | -80.5 | -37.6 | 0 | 0 | 0 | 112.4 | ||||
| 1100 | D | 42 | Very low | 57.8 | Low | 113 Ų | 113 | 79 Ų | 79 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | trans | -97.4 | 124.2 | -157.4 | -55.7 | -44.9 | 0 | 0 | 0 | 111.6 | T1098 M1102 | T1098-D1100 VanDerWaalsContact C-N 3.27Å; T1098-D1100 WeakPolarHBondContact CB-OD2 3.46Å; T1098-D1100 PolarHBondContact O-N 3Å; D1100-M1102 PolarHBondContact O-N 3.38Å | ||
| 1101 | Y | 52 | Low | 60.5 | Low | 126 Ų | 126 | 74.5 Ų | 74.5 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | trans | -75.3 | 108.7 | -177.3 | -58 | -99.6 | 0 | 0 | 0 | 109.4 | P1090 F1103 | P1090-Y1101 HydrophobicContact CB-CE1 3.81Å; P1090-Y1101 HydrophobicContact CG-CE1 3.84Å; P1090-Y1101 WeakPolarHBondContact CG-OH 3.38Å; Y1101-F1103 WeakPolarHBondContact O-CD2 3.46Å; Y1101-F1103 VanDerWaalsContact O-CE2 3.28Å; Y1101-F1103 WeakPolarHBondContact O-CE2 3.45Å; Y1101-F1103 PolarHBondContact O-N 2.87Å | ||
| 1102 | M | 62.2 | Low | 63.3 | Low | 28 Ų | 28 | 66.3 Ų | 66.3 | 14% | 0.138 | 33% | 0.327 | C | S | . | . | trans | -68.9 | 113.2 | 175.6 | -67.4 | -171.8 | 75.9 | 0 | 0 | 111.3 | L1093 Y1095 D1100 I1104 E1237 | L1093-M1102 HydrophobicContact CD1-CB 4.13Å; Y1095-M1102 HydrophobicContact CD2-SD 4.16Å; Y1095-M1102 HydrophobicContact CE2-SD 3.55Å; Y1095-M1102 VanDerWaalsContact CE2-SD 3.55Å; D1100-M1102 PolarHBondContact O-N 3.38Å; M1102-I1104 HydrophobicContact CB-CD1 4.34Å; M1102-I1104 HydrophobicContact CB-CG1 4.41Å; M1102-I1104 HydrophobicContact CE-CD1 4.36Å; M1102-I1104 PolarHBondContact O-N 2.88Å; M1102-E1237 VanDerWaalsContact CA-OE2 3.29Å; M1102-E1237 WeakPolarHBondContact CA-OE2 3.42Å; M1102-E1237 HydrophobicContact CE-CB 4.14Å; M1102-E1237 WeakPolarHBondContact CE-O 3.3Å | ||
| 1103 | F | 77.5 | Confident | 66 | Low | 42 Ų | 42 | 62.4 Ų | 62.4 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | trans | -93.6 | 78 | -178.4 | -70.7 | -79 | 0 | 0 | 0 | 110.9 | I1075 R1079 C1082 Y1101 P1105 E1237 | I1075-F1103 WeakPolarHBondContact CG1-O 3.46Å; I1075-F1103 HydrophobicContact CG2-CB 3.88Å; R1079-F1103 HydrophobicContact CB-CD1 4.34Å; R1079-F1103 HydrophobicContact CB-CE1 4.21Å; R1079-F1103 HydrophobicContact CG-CB 4.45Å; R1079-F1103 HydrophobicContact CG-CD1 3.54Å; R1079-F1103 HydrophobicContact CG-CD2 3.83Å; R1079-F1103 HydrophobicContact CG-CE1 3.6Å; R1079-F1103 HydrophobicContact CG-CE2 3.88Å; R1079-F1103 HydrophobicContact CG-CG 3.67Å; R1079-F1103 HydrophobicContact CG-CZ 3.78Å; C1082-F1103 HydrophobicContact CB-CE1 3.94Å; Y1101-F1103 WeakPolarHBondContact O-CD2 3.46Å; Y1101-F1103 VanDerWaalsContact O-CE2 3.28Å; Y1101-F1103 WeakPolarHBondContact O-CE2 3.45Å; Y1101-F1103 PolarHBondContact O-N 2.87Å; F1103-P1105 WeakPolarHBondContact O-CD 3.31Å; F1103-E1237 PolarHBondContact N-OE2 2.8Å | ||
| 1104 | I | 87.5 | Confident | 68.8 | Low | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | trans | -87.4 | 121.6 | -179 | -59.5 | 157.8 | 0 | 0 | 0 | 110.4 | M1102 L1106 I1108 K1109 Y1241 | M1102-I1104 HydrophobicContact CB-CD1 4.34Å; M1102-I1104 HydrophobicContact CB-CG1 4.41Å; M1102-I1104 HydrophobicContact CE-CD1 4.36Å; M1102-I1104 PolarHBondContact O-N 2.88Å; I1104-L1106 PolarHBondContact O-N 3Å; I1104-I1108 HydrophobicContact CG2-CB 4.11Å; I1104-I1108 HydrophobicContact CG2-CG2 3.94Å; I1104-K1109 HydrophobicContact CG2-CB 4.19Å; I1104-Y1241 HydrophobicContact CD1-CD1 4.01Å; I1104-Y1241 HydrophobicContact CD1-CD2 3.53Å; I1104-Y1241 HydrophobicContact CD1-CE1 4.39Å; I1104-Y1241 HydrophobicContact CD1-CE2 3.95Å; I1104-Y1241 HydrophobicContact CD1-CG 3.55Å; I1104-Y1241 HydrophobicContact CG1-CD1 4.5Å; I1104-Y1241 HydrophobicContact CG1-CG 4.33Å; I1104-Y1241 HydrophobicContact CG2-CD1 3.99Å; I1104-Y1241 HydrophobicContact CG2-CE1 4.01Å | ||
| 1105 | P | 90.9 | Very high | 72 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | trans | -47.7 | 133.4 | 174.5 | -31.8 | 36.7 | 0 | 0 | 0 | 114.6 | L1074 I1075 E1078 F1103 F1107 I1108 K1109 I1238 | L1074-P1105 HydrophobicContact CB-CG 4.2Å; I1075-P1105 HydrophobicContact CG1-CG 4.46Å; E1078-P1105 WeakPolarHBondContact OE1-CA 3.22Å; F1103-P1105 WeakPolarHBondContact O-CD 3.31Å; P1105-F1107 PolarHBondContact O-N 3.29Å; P1105-F1107 VanDerWaalsContact O-N 3.12Å; P1105-I1108 HydrophobicContact CB-CB 4.49Å; P1105-I1108 HydrophobicContact CB-CD1 4.12Å; P1105-I1108 HydrophobicContact CB-CG1 4.16Å; P1105-I1108 HydrophobicContact CG-CD1 4.03Å; P1105-I1108 WeakPolarHBondContact O-CA 3.27Å; P1105-I1108 WeakPolarHBondContact O-CB 3.44Å; P1105-I1108 PolarHBondContact O-N 3.13Å; P1105-K1109 PolarHBondContact O-N 3.41Å; P1105-I1238 HydrophobicContact CG-CD1 4.11Å | ||
| 1106 | L | 89.8 | Confident | 74.9 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53 | -37.8 | -177.4 | 177.9 | 66.7 | 0 | 0 | 0 | 112.5 | E1078 I1104 K1110 V1145 I1165 V1168 | E1078-L1106 WeakPolarHBondContact OE1-CB 3.23Å; E1078-L1106 PolarHBondContact OE1-N 3.25Å; I1104-L1106 PolarHBondContact O-N 3Å; L1106-K1110 HydrophobicContact CD1-CG 3.82Å; L1106-K1110 HydrophobicContact CG-CG 4.26Å; L1106-K1110 VanDerWaalsContact O-CB 3.24Å; L1106-K1110 WeakPolarHBondContact O-CB 3.21Å; L1106-K1110 VanDerWaalsContact O-CG 3.27Å; L1106-K1110 WeakPolarHBondContact O-CG 3.37Å; L1106-K1110 PolarHBondContact O-N 3.29Å; L1106-V1145 HydrophobicContact CD2-CG1 4.37Å; L1106-I1165 HydrophobicContact CD1-CG2 4.04Å; L1106-I1165 HydrophobicContact CD2-CG1 3.87Å; L1106-I1165 HydrophobicContact CD2-CG2 4.43Å; L1106-V1168 HydrophobicContact CD2-CG2 4.46Å |
| 1107 | F | 93.2 | Very high | 77.9 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 173.8 | 171.4 | -95.7 | 0 | 0 | 0 | 112 | L1066 F1067 P1105 C1111 F1142 V1184 F1185 F1188 | L1066-F1107 HydrophobicContact CD1-CB 4.23Å; L1066-F1107 HydrophobicContact CD2-CB 4.06Å; L1066-F1107 HydrophobicContact CD2-CD2 3.96Å; L1066-F1107 HydrophobicContact CD2-CG 4.1Å; F1067-F1107 HydrophobicContact CE1-CZ 4.38Å; F1067-F1107 HydrophobicContact CZ-CE2 4.07Å; F1067-F1107 HydrophobicContact CZ-CZ 4.37Å; P1105-F1107 PolarHBondContact O-N 3.29Å; P1105-F1107 VanDerWaalsContact O-N 3.12Å; F1107-C1111 WeakPolarHBondContact O-CB 3.29Å; F1107-C1111 PolarHBondContact O-N 3.38Å; F1107-C1111 PolarHBondContact O-SG 3.34Å; F1107-F1142 HydrophobicContact CB-CD1 4.36Å; F1107-F1142 HydrophobicContact CB-CE1 4.28Å; F1107-F1142 HydrophobicContact CD2-CB 4.29Å; F1107-F1142 AromaticContact CD2-CD1 3.9Å; F1107-F1142 HydrophobicContact CD2-CD1 3.9Å; F1107-F1142 AromaticContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CE1 4.03Å; F1107-F1142 AromaticContact CD2-CE2 3.68Å; F1107-F1142 HydrophobicContact CD2-CE2 3.68Å; F1107-F1142 AromaticContact CD2-CG 3.66Å; F1107-F1142 HydrophobicContact CD2-CG 3.66Å; F1107-F1142 AromaticContact CD2-CZ 3.92Å; F1107-F1142 HydrophobicContact CD2-CZ 3.92Å; F1107-F1142 AromaticContact CE2-CD2 3.77Å; F1107-F1142 HydrophobicContact CE2-CD2 3.77Å; F1107-F1142 AromaticContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CG 4.27Å; F1107-V1184 HydrophobicContact CE2-CG1 3.91Å; F1107-V1184 HydrophobicContact CZ-CG1 3.95Å; F1107-F1185 HydrophobicContact CE1-CD2 4.15Å; F1107-F1188 HydrophobicContact CD1-CB 4.19Å; F1107-F1188 HydrophobicContact CD1-CD1 4.03Å; F1107-F1188 AromaticContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CE1 4.39Å; F1107-F1188 HydrophobicContact CD1-CE2 4.11Å; F1107-F1188 AromaticContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CZ 4.43Å; F1107-F1188 HydrophobicContact CE1-CB 3.37Å; F1107-F1188 AromaticContact CE1-CD1 3.84Å; F1107-F1188 HydrophobicContact CE1-CD1 3.84Å; F1107-F1188 AromaticContact CE1-CD2 3.81Å; F1107-F1188 HydrophobicContact CE1-CD2 3.81Å; F1107-F1188 AromaticContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CZ-CB 3.85Å; F1107-F1188 HydrophobicContact CZ-CG 4.27Å |
| 1108 | I | 94.5 | Very high | 80.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.7 | -50.6 | -179.6 | -62.5 | 179.4 | 0 | 0 | 0 | 109.2 | I1104 P1105 K1110 C1111 V1112 F1185 F1188 I1238 Y1241 L1242 | I1104-I1108 HydrophobicContact CG2-CB 4.11Å; I1104-I1108 HydrophobicContact CG2-CG2 3.94Å; P1105-I1108 HydrophobicContact CB-CB 4.49Å; P1105-I1108 HydrophobicContact CB-CD1 4.12Å; P1105-I1108 HydrophobicContact CB-CG1 4.16Å; P1105-I1108 HydrophobicContact CG-CD1 4.03Å; P1105-I1108 WeakPolarHBondContact O-CA 3.27Å; P1105-I1108 WeakPolarHBondContact O-CB 3.44Å; P1105-I1108 PolarHBondContact O-N 3.13Å; I1108-K1110 PolarHBondContact O-N 3.47Å; I1108-C1111 PolarHBondContact O-N 3.06Å; I1108-V1112 HydrophobicContact CG2-CG2 4.46Å; I1108-V1112 WeakPolarHBondContact O-CB 3.48Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.06Å; I1108-V1112 PolarHBondContact O-N 3.39Å; I1108-F1185 HydrophobicContact CG2-CE2 4.16Å; I1108-F1188 HydrophobicContact CD1-CE1 3.7Å; I1108-F1188 HydrophobicContact CD1-CZ 4.19Å; I1108-F1188 HydrophobicContact CG1-CD1 4.39Å; I1108-F1188 HydrophobicContact CG1-CE1 3.82Å; I1108-F1188 HydrophobicContact CG1-CZ 4.29Å; I1108-I1238 HydrophobicContact CD1-CD1 3.96Å; I1108-I1238 HydrophobicContact CD1-CG1 4.43Å; I1108-I1238 HydrophobicContact CD1-CG2 3.8Å; I1108-Y1241 HydrophobicContact CG2-CD1 4.18Å; I1108-Y1241 HydrophobicContact CG2-CE1 4.1Å; I1108-L1242 HydrophobicContact CG2-CD2 3.98Å |
| 1109 | K | 92.4 | Very high | 83.4 | Confident | 55 Ų | 55 | 41 Ų | 41 | 24% | 0.239 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.6 | -54.1 | 179.8 | -173.2 | 179.4 | -176 | -176.9 | 0 | 111.7 | Y1088 I1104 P1105 C1111 V1112 E1113 | Y1088-K1109 PolarHBondContact OH-NZ 3.03Å; I1104-K1109 HydrophobicContact CG2-CB 4.19Å; P1105-K1109 PolarHBondContact O-N 3.41Å; K1109-C1111 PolarHBondContact O-N 3.46Å; K1109-V1112 PolarHBondContact O-N 3.47Å; K1109-E1113 WeakPolarHBondContact CE-OE1 3.4Å; K1109-E1113 HydrophobicContact CG-CG 4.37Å; K1109-E1113 WeakPolarHBondContact CG-OE1 3.41Å; K1109-E1113 WeakPolarHBondContact O-CB 3.41Å; K1109-E1113 VanDerWaalsContact O-CG 3.23Å; K1109-E1113 WeakPolarHBondContact O-CG 3.38Å; K1109-E1113 PolarHBondContact O-N 2.95Å |
| 1110 | K | 93.3 | Very high | 86.2 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 14% | 0.135 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | -178.8 | -75.7 | -76.8 | -171.1 | 159.5 | 0 | 113.2 | L1106 I1108 E1114 F1142 V1168 L1170 | L1106-K1110 HydrophobicContact CD1-CG 3.82Å; L1106-K1110 HydrophobicContact CG-CG 4.26Å; L1106-K1110 VanDerWaalsContact O-CB 3.24Å; L1106-K1110 WeakPolarHBondContact O-CB 3.21Å; L1106-K1110 VanDerWaalsContact O-CG 3.27Å; L1106-K1110 WeakPolarHBondContact O-CG 3.37Å; L1106-K1110 PolarHBondContact O-N 3.29Å; I1108-K1110 PolarHBondContact O-N 3.47Å; K1110-E1114 PolarHBondContact O-N 3.12Å; K1110-F1142 HydrophobicContact CB-CE1 4.47Å; K1110-F1142 HydrophobicContact CB-CZ 4Å; K1110-V1168 HydrophobicContact CB-CG1 4.46Å; K1110-V1168 HydrophobicContact CD-CB 4.46Å; K1110-V1168 HydrophobicContact CD-CG1 4.17Å; K1110-V1168 HydrophobicContact CG-CG1 4.05Å; K1110-V1168 PolarHBondContact NZ-O 2.87Å; K1110-L1170 HydrophobicContact CB-CD1 4.04Å |
| 1111 | C | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 175.7 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | F1107 I1108 K1109 E1114 I1115 I1181 F1185 | F1107-C1111 WeakPolarHBondContact O-CB 3.29Å; F1107-C1111 PolarHBondContact O-N 3.38Å; F1107-C1111 PolarHBondContact O-SG 3.34Å; I1108-C1111 PolarHBondContact O-N 3.06Å; K1109-C1111 PolarHBondContact O-N 3.46Å; C1111-E1114 PolarHBondContact O-N 3.33Å; C1111-I1115 HydrophobicContact CB-CD1 4.49Å; C1111-I1115 WeakPolarHBondContact O-CB 3.28Å; C1111-I1115 WeakPolarHBondContact O-CD1 3.47Å; C1111-I1115 WeakPolarHBondContact O-CG1 3.23Å; C1111-I1115 PolarHBondContact O-N 3.19Å; C1111-I1181 HydrophobicContact CB-CG2 4.19Å; C1111-F1185 HydrophobicContact CB-CD2 3.84Å |
| 1112 | V | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 179.5 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | I1108 K1109 E1114 I1115 D1116 F1185 Y1241 L1242 H1245 | I1108-V1112 HydrophobicContact CG2-CG2 4.46Å; I1108-V1112 WeakPolarHBondContact O-CB 3.48Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.06Å; I1108-V1112 PolarHBondContact O-N 3.39Å; K1109-V1112 PolarHBondContact O-N 3.47Å; V1112-E1114 VanDerWaalsContact C-N 3.34Å; V1112-E1114 PolarHBondContact O-N 2.9Å; V1112-I1115 PolarHBondContact O-N 3.22Å; V1112-D1116 WeakPolarHBondContact O-CB 3.36Å; V1112-D1116 PolarHBondContact O-N 3.29Å; V1112-F1185 HydrophobicContact CG2-CE2 4.32Å; V1112-Y1241 HydrophobicContact CB-CE1 3.85Å; V1112-Y1241 HydrophobicContact CG1-CE1 3.85Å; V1112-Y1241 WeakPolarHBondContact CG1-OH 3.39Å; V1112-Y1241 HydrophobicContact CG2-CE1 3.92Å; V1112-L1242 HydrophobicContact CG2-CD2 3.74Å; V1112-H1245 HydrophobicContact CG1-CB 3.95Å |
| 1113 | E | 93.8 | Very high | 92 | Very high | 44 Ų | 44 | 29.4 Ų | 29.4 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.7 | -45.3 | 175.3 | -77.3 | 174.2 | 170.4 | 0 | 0 | 112.3 | K1109 K1117 F1313 | K1109-E1113 WeakPolarHBondContact CE-OE1 3.4Å; K1109-E1113 HydrophobicContact CG-CG 4.37Å; K1109-E1113 WeakPolarHBondContact CG-OE1 3.41Å; K1109-E1113 WeakPolarHBondContact O-CB 3.41Å; K1109-E1113 VanDerWaalsContact O-CG 3.23Å; K1109-E1113 WeakPolarHBondContact O-CG 3.38Å; K1109-E1113 PolarHBondContact O-N 2.95Å; E1113-K1117 WeakPolarHBondContact O-CB 3.35Å; E1113-K1117 PolarHBondContact O-N 2.78Å; E1113-K1117 VanDerWaalsContact O-N 3.14Å; E1113-F1313 HydrophobicContact CG-CE2 4.23Å; E1113-F1313 HydrophobicContact CG-CZ 3.78Å |
| 1114 | E | 94.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.075 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.9 | -32 | -179.4 | -168.9 | 66.7 | -167.5 | 0 | 0 | 112.6 | K1110 C1111 V1112 K1117 R1118 L1170 S1171 I1181 | K1110-E1114 PolarHBondContact O-N 3.12Å; C1111-E1114 PolarHBondContact O-N 3.33Å; V1112-E1114 VanDerWaalsContact C-N 3.34Å; V1112-E1114 PolarHBondContact O-N 2.9Å; E1114-K1117 PolarHBondContact O-N 3.21Å; E1114-K1117 IonicContact OE1-NZ 2.65Å; E1114-K1117 WeakPolarHBondContact OE2-CE 3.44Å; E1114-K1117 IonicContact OE2-NZ 2.83Å; E1114-K1117 PolarHBondContact OE2-NZ 3.45Å; E1114-R1118 HydrophobicContact CG-CG 4.29Å; E1114-R1118 VanDerWaalsContact O-CG 3.29Å; E1114-R1118 WeakPolarHBondContact O-CG 3.19Å; E1114-R1118 PolarHBondContact O-N 2.98Å; E1114-R1118 WeakPolarHBondContact OE1-CD 3.36Å; E1114-R1118 IonicContact OE1-CZ 2.69Å; E1114-R1118 IonicContact OE1-NE 3.03Å; E1114-R1118 PolarHBondContact OE1-NE 3.34Å; E1114-R1118 IonicContact OE1-NH2 3.72Å; E1114-L1170 HydrophobicContact CB-CB 4.37Å; E1114-L1170 HydrophobicContact CG-CB 4.14Å; E1114-L1170 WeakPolarHBondContact CG-O 3.48Å; E1114-S1171 WeakPolarHBondContact OE1-CA 3.49Å; E1114-I1181 HydrophobicContact CG-CD1 4.24Å |
| 1115 | I | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.5 | -43 | 174.7 | -62.8 | 161 | 0 | 0 | 0 | 110.9 | C1111 V1112 K1117 G1119 S1120 V1125 I1178 I1181 T1182 L1249 | C1111-I1115 HydrophobicContact CB-CD1 4.49Å; C1111-I1115 WeakPolarHBondContact O-CB 3.28Å; C1111-I1115 WeakPolarHBondContact O-CD1 3.47Å; C1111-I1115 WeakPolarHBondContact O-CG1 3.23Å; C1111-I1115 PolarHBondContact O-N 3.19Å; V1112-I1115 PolarHBondContact O-N 3.22Å; I1115-K1117 VanDerWaalsContact C-N 3.29Å; I1115-K1117 PolarHBondContact O-N 3.33Å; I1115-G1119 CarbonylContact O-C 3.59Å; I1115-G1119 WeakPolarHBondContact O-CA 3.45Å; I1115-G1119 PolarHBondContact O-N 3.32Å; I1115-S1120 PolarHBondContact O-N 2.93Å; I1115-V1125 HydrophobicContact CG2-CG2 3.98Å; I1115-I1178 HydrophobicContact CG1-CD1 3.95Å; I1115-I1181 HydrophobicContact CD1-CG2 4.22Å; I1115-I1181 HydrophobicContact CG1-CG2 4.28Å; I1115-T1182 HydrophobicContact CD1-CG2 3.85Å; I1115-T1182 HydrophobicContact CG1-CG2 4.14Å; I1115-L1249 HydrophobicContact CG2-CD1 4.45Å |
| 1116 | D | 93.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 26.8 Ų | 26.8 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 172.4 | -82.3 | -33.5 | 0 | 0 | 0 | 110.9 | V1112 S1120 H1245 R1248 | V1112-D1116 WeakPolarHBondContact O-CB 3.36Å; V1112-D1116 PolarHBondContact O-N 3.29Å; D1116-S1120 WeakPolarHBondContact CA-OG 3.27Å; D1116-S1120 WeakPolarHBondContact O-CB 3.46Å; D1116-S1120 PolarHBondContact O-OG 3.45Å; D1116-H1245 IonicContact OD1-CE1 2.67Å; D1116-H1245 PolarHBondContact OD1-CE1 3.3Å; D1116-H1245 IonicContact OD1-ND1 3.6Å; D1116-H1245 PolarHBondContact OD1-ND1 2.87Å; D1116-H1245 IonicContact OD2-ND1 3.55Å; D1116-R1248 IonicContact OD1-CZ 3.53Å; D1116-R1248 IonicContact OD1-NE 3.12Å; D1116-R1248 PolarHBondContact OD1-NE 3.1Å; D1116-R1248 IonicContact OD1-NH2 2.88Å; D1116-R1248 IonicContact OD2-CZ 3.42Å; D1116-R1248 IonicContact OD2-NE 3.55Å; D1116-R1248 PolarHBondContact OD2-NE 2.83Å; D1116-R1248 VanDerWaalsContact OD2-NE 3.17Å; D1116-R1248 IonicContact OD2-NH2 2.72Å; D1116-R1248 PolarHBondContact OD2-NH2 3.13Å |
| 1117 | K | 93.1 | Very high | 93.6 | Very high | 141 Ų | 141 | 28.7 Ų | 28.7 | 61% | 0.613 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -72.3 | -34 | -175.6 | 172.8 | 179.6 | 154.2 | -149.2 | 0 | 115.2 | E1113 E1114 I1115 | E1113-K1117 WeakPolarHBondContact O-CB 3.35Å; E1113-K1117 PolarHBondContact O-N 2.78Å; E1113-K1117 VanDerWaalsContact O-N 3.14Å; E1114-K1117 PolarHBondContact O-N 3.21Å; E1114-K1117 IonicContact OE1-NZ 2.65Å; E1114-K1117 WeakPolarHBondContact OE2-CE 3.44Å; E1114-K1117 IonicContact OE2-NZ 2.83Å; E1114-K1117 PolarHBondContact OE2-NZ 3.45Å; I1115-K1117 VanDerWaalsContact C-N 3.29Å; I1115-K1117 PolarHBondContact O-N 3.33Å |
| 1118 | R | 92.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 10% | 0.102 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -142.4 | -2.4 | -178.7 | 67.6 | 159.5 | 168.9 | 128.3 | -1.5 | 116.7 | E1114 V1122 L1170 I1175 P1176 I1178 Q1495 | E1114-R1118 HydrophobicContact CG-CG 4.29Å; E1114-R1118 VanDerWaalsContact O-CG 3.29Å; E1114-R1118 WeakPolarHBondContact O-CG 3.19Å; E1114-R1118 PolarHBondContact O-N 2.98Å; E1114-R1118 WeakPolarHBondContact OE1-CD 3.36Å; E1114-R1118 IonicContact OE1-CZ 2.69Å; E1114-R1118 IonicContact OE1-NE 3.03Å; E1114-R1118 PolarHBondContact OE1-NE 3.34Å; E1114-R1118 IonicContact OE1-NH2 3.72Å; R1118-V1122 WeakPolarHBondContact O-CG2 3.25Å; R1118-L1170 PolarHBondContact NH2-O 3.19Å; R1118-I1175 VanDerWaalsContact CZ-O 3.29Å; R1118-I1175 PolarHBondContact NH1-O 2.9Å; R1118-I1175 PolarHBondContact NH2-O 3.31Å; R1118-P1176 PolarHBondContact NH1-O 2.92Å; R1118-P1176 VanDerWaalsContact NH1-O 3.08Å; R1118-I1178 HydrophobicContact CG-CD1 4.22Å; R1118-Q1495 PolarHBondContact O-NE2 3.18Å |
| 1119 | G | 90.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -23.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1115 D1121 V1122 | I1115-G1119 CarbonylContact O-C 3.59Å; I1115-G1119 WeakPolarHBondContact O-CA 3.45Å; I1115-G1119 PolarHBondContact O-N 3.32Å; G1119-D1121 PolarHBondContact O-N 3.35Å; G1119-D1121 VanDerWaalsContact O-N 3.13Å; G1119-V1122 PolarHBondContact O-N 3.42Å |
| 1120 | S | 90.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 27 Ų | 27 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -35.7 | -178.2 | -66.6 | 0 | 0 | 0 | 0 | 115 | I1115 D1116 N1252 N1256 | I1115-S1120 PolarHBondContact O-N 2.93Å; D1116-S1120 WeakPolarHBondContact CA-OG 3.27Å; D1116-S1120 WeakPolarHBondContact O-CB 3.46Å; D1116-S1120 PolarHBondContact O-OG 3.45Å; S1120-N1252 PolarHBondContact O-ND2 3.21Å; S1120-N1256 WeakPolarHBondContact O-CB 3.42Å; S1120-N1256 PolarHBondContact O-ND2 2.67Å |
| 1121 | D | 92.1 | Very high | 93.2 | Very high | 101 Ų | 101 | 26.1 Ų | 26.1 | 54% | 0.54 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -0.3 | 178.8 | -64.2 | -48.9 | 0 | 0 | 0 | 113.7 | G1119 V1123 N1252 V1255 | G1119-D1121 PolarHBondContact O-N 3.35Å; G1119-D1121 VanDerWaalsContact O-N 3.13Å; D1121-V1123 PolarHBondContact O-N 2.86Å; D1121-N1252 PolarHBondContact OD1-ND2 3.23Å; D1121-V1255 HydrophobicContact CB-CG1 3.87Å |
| 1122 | V | 92.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 26.4 Ų | 26.4 | 15% | 0.152 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -87.2 | 117.9 | -172.8 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | R1118 G1119 G1124 V1125 I1178 N1256 | R1118-V1122 WeakPolarHBondContact O-CG2 3.25Å; G1119-V1122 PolarHBondContact O-N 3.42Å; V1122-G1124 PolarHBondContact O-N 3.28Å; V1122-G1124 VanDerWaalsContact O-N 3.11Å; V1122-V1125 PolarHBondContact O-N 2.97Å; V1122-V1125 VanDerWaalsContact O-N 3.14Å; V1122-I1178 HydrophobicContact CB-CG2 4.21Å; V1122-I1178 HydrophobicContact CG1-CG2 3.84Å; V1122-I1178 HydrophobicContact CG2-CG2 4.16Å; V1122-N1256 WeakPolarHBondContact O-CB 3.5Å |
| 1123 | V | 93 | Very high | 92.5 | Very high | 30 Ų | 30 | 30 Ų | 30 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 112.9 | -177.6 | 179 | 0 | 0 | 0 | 0 | 112 | D1121 L1128 N1256 K1257 T1499 | D1121-V1123 PolarHBondContact O-N 2.86Å; V1123-L1128 WeakPolarHBondContact O-CD1 3.4Å; V1123-N1256 CarbonylContact C-O 3.51Å; V1123-N1256 VanDerWaalsContact CA-O 3.3Å; V1123-N1256 WeakPolarHBondContact CA-O 3.28Å; V1123-K1257 HydrophobicContact CG1-CB 4.33Å; V1123-K1257 HydrophobicContact CG1-CG 3.99Å; V1123-K1257 HydrophobicContact CG2-CG 4.49Å; V1123-T1499 HydrophobicContact CB-CG2 4.15Å; V1123-T1499 HydrophobicContact CG1-CG2 4.42Å; V1123-T1499 HydrophobicContact CG2-CG2 4Å |
| 1124 | G | 92.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 29.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1122 R1127 L1128 N1256 | V1122-G1124 PolarHBondContact O-N 3.28Å; V1122-G1124 VanDerWaalsContact O-N 3.11Å; G1124-R1127 PolarHBondContact O-N 2.68Å; G1124-R1127 VanDerWaalsContact O-N 3.13Å; G1124-L1128 PolarHBondContact O-N 3.42Å; G1124-N1256 PolarHBondContact N-O 2.91Å |
| 1125 | V | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 139.9 | 164.7 | 66.4 | 0 | 0 | 0 | 0 | 111 | I1115 V1122 R1127 T1182 L1249 N1256 M1258 | I1115-V1125 HydrophobicContact CG2-CG2 3.98Å; V1122-V1125 PolarHBondContact O-N 2.97Å; V1122-V1125 VanDerWaalsContact O-N 3.14Å; V1125-R1127 PolarHBondContact O-N 2.74Å; V1125-T1182 HydrophobicContact CG2-CG2 3.87Å; V1125-L1249 HydrophobicContact CG1-CD1 4.24Å; V1125-L1249 HydrophobicContact CG1-CD2 4.49Å; V1125-L1249 HydrophobicContact CG2-CD1 4.45Å; V1125-N1256 HydrophobicContact CG1-CB 4.4Å; V1125-M1258 HydrophobicContact CG1-CG 3.92Å |
| 1126 | Y | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -23.6 | -169.1 | -66.6 | -68.2 | 0 | 0 | 0 | 118 | T1182 F1185 K1186 H1245 F1246 L1249 L1263 L1267 | Y1126-T1182 HydrophobicContact CD1-CG2 3.93Å; Y1126-T1182 HydrophobicContact CE1-CG2 3.89Å; Y1126-T1182 HydrophobicContact CG-CG2 4.3Å; Y1126-F1185 AromaticContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CE1 4.35Å; Y1126-F1185 HydrophobicContact CE1-CG 4.48Å; Y1126-K1186 HydrophobicContact CD1-CG 4.35Å; Y1126-K1186 PolarHBondContact O-NZ 2.89Å; Y1126-H1245 AromaticContact CE2-NE2 3.7Å; Y1126-H1245 AromaticContact CZ-NE2 3.87Å; Y1126-H1245 PolarHBondContact OH-NE2 2.79Å; Y1126-H1245 VanDerWaalsContact OH-NE2 3.13Å; Y1126-F1246 HydrophobicContact CE2-CD1 4.24Å; Y1126-F1246 AromaticContact CE2-CE1 3.96Å; Y1126-F1246 HydrophobicContact CE2-CE1 3.96Å; Y1126-F1246 AromaticContact CZ-CE1 4Å; Y1126-L1249 HydrophobicContact CD2-CD1 3.9Å; Y1126-L1249 HydrophobicContact CE2-CD1 3.54Å; Y1126-L1263 HydrophobicContact CD2-CD1 3.86Å; Y1126-L1263 HydrophobicContact CG-CD1 4.35Å; Y1126-L1267 HydrophobicContact CD1-CD2 3.95Å; Y1126-L1267 HydrophobicContact CE1-CD2 4.46Å; Y1126-L1267 HydrophobicContact CG-CD2 4.16Å |
| 1127 | R | 94.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -39.5 | -179.1 | -179.4 | -175.4 | -168.7 | 148.7 | 16.3 | 114 | V930 G1124 V1125 M1258 N1262 | V930-R1127 VanDerWaalsContact CG1-NH2 3.34Å; G1124-R1127 PolarHBondContact O-N 2.68Å; G1124-R1127 VanDerWaalsContact O-N 3.13Å; V1125-R1127 PolarHBondContact O-N 2.74Å; R1127-M1258 HydrophobicContact CB-CE 3.77Å; R1127-M1258 HydrophobicContact CB-SD 3.7Å; R1127-M1258 HydrophobicContact CG-SD 4.4Å; R1127-N1262 VanDerWaalsContact NH1-CG 3.33Å; R1127-N1262 PolarHBondContact NH1-OD1 3.23Å; R1127-N1262 PolarHBondContact NH2-OD1 3.3Å; R1127-N1262 VanDerWaalsContact NH2-OD1 3.09Å |
| 1128 | L | 94.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -85.9 | 135.8 | 176.6 | -61.4 | 177.7 | 0 | 0 | 0 | 110.1 | R931 K932 V1123 G1124 | R931-L1128 HydrophobicContact CB-CD2 3.99Å; R931-L1128 WeakPolarHBondContact O-CD2 3.18Å; K932-L1128 CarbonylContact O-C 3.53Å; K932-L1128 WeakPolarHBondContact O-CA 3.27Å; V1123-L1128 WeakPolarHBondContact O-CD1 3.4Å; G1124-L1128 PolarHBondContact O-N 3.42Å |
| 1129 | A | 93.6 | Very high | 91.4 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -81.5 | 132.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K932 A933 E951 L952 | K932-A1129 PolarHBondContact O-N 2.82Å; A933-A1129 HydrophobicContact CB-CB 4.43Å; E951-A1129 WeakPolarHBondContact O-CB 3.43Å; L952-A1129 HydrophobicContact CD2-CB 3.88Å |
| 1130 | G | 90.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | trans | -80.2 | 174.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1132 D1177 | G1130-V1132 PolarHBondContact O-N 3.45Å; G1130-D1177 WeakPolarHBondContact CA-OD2 3.1Å | ||
| 1131 | S | 87.1 | Confident | 91.3 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | trans | -67.3 | 129.3 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 111 | W1133 M1134 K1135 D1177 | S1131-W1133 PolarHBondContact O-N 3.24Å; S1131-W1133 PolarHBondContact OG-N 2.78Å; S1131-M1134 PolarHBondContact O-N 2.96Å; S1131-K1135 PolarHBondContact O-N 2.7Å; S1131-D1177 PolarHBondContact N-OD2 2.89Å | ||
| 1132 | V | 89.2 | Confident | 91.4 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -25.1 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 112 | V949 E951 S1011 G1130 K1135 L1136 | V949-V1132 HydrophobicContact CB-CB 4.08Å; V949-V1132 HydrophobicContact CB-CG2 4.32Å; V949-V1132 HydrophobicContact CG1-CB 4.3Å; V949-V1132 HydrophobicContact CG1-CG2 4.13Å; V949-V1132 WeakPolarHBondContact O-CB 3.38Å; V949-V1132 VanDerWaalsContact O-CG2 3.27Å; V949-V1132 WeakPolarHBondContact O-CG2 3.24Å; V949-V1132 PolarHBondContact O-N 2.75Å; E951-V1132 HydrophobicContact CB-CG2 4.41Å; E951-V1132 HydrophobicContact CG-CG2 3.83Å; S1011-V1132 WeakPolarHBondContact OG-CG1 3.05Å; G1130-V1132 PolarHBondContact O-N 3.45Å; V1132-K1135 HydrophobicContact CG2-CD 4.48Å; V1132-K1135 WeakPolarHBondContact O-CB 3.26Å; V1132-K1135 PolarHBondContact O-N 3.13Å; V1132-L1136 PolarHBondContact O-N 2.91Å |
| 1133 | W | 86.1 | Confident | 91.3 | Very high | 74 Ų | 74 | 23.5 Ų | 23.5 | 28% | 0.28 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 172.2 | -66 | 124 | 0 | 0 | 0 | 112.8 | E753 N947 S1131 L1136 Q1137 | E753-W1133 HydrophobicContact CG-CH2 4.36Å; E753-W1133 WeakPolarHBondContact OE1-CH2 3.45Å; E753-W1133 WeakPolarHBondContact OE2-CZ2 3.19Å; N947-W1133 PolarHBondContact O-NE1 3.17Å; S1131-W1133 PolarHBondContact O-N 3.24Å; S1131-W1133 PolarHBondContact OG-N 2.78Å; W1133-L1136 HydrophobicContact CE3-CD1 4.02Å; W1133-L1136 HydrophobicContact CZ3-CD1 4.17Å; W1133-L1136 PolarHBondContact O-N 2.73Å; W1133-Q1137 PolarHBondContact O-N 2.72Å |
| 1134 | M | 88.4 | Confident | 91.1 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.1 | -37.3 | 176 | -171.6 | 59.7 | 57.7 | 0 | 0 | 111 | Y746 S1131 L1136 Q1137 V1138 I1175 P1176 D1177 A1180 | Y746-M1134 HydrophobicContact CE2-CE 4.33Å; S1131-M1134 PolarHBondContact O-N 2.96Å; M1134-L1136 VanDerWaalsContact C-N 3.33Å; M1134-L1136 PolarHBondContact O-N 3.06Å; M1134-Q1137 PolarHBondContact O-N 2.87Å; M1134-Q1137 VanDerWaalsContact O-N 3.16Å; M1134-V1138 PolarHBondContact O-N 2.73Å; M1134-V1138 VanDerWaalsContact O-N 3.11Å; M1134-I1175 HydrophobicContact CG-CG2 4.05Å; M1134-I1175 HydrophobicContact SD-CB 4.24Å; M1134-I1175 HydrophobicContact SD-CG1 4.06Å; M1134-I1175 HydrophobicContact SD-CG2 3.97Å; M1134-P1176 HydrophobicContact CE-CG 4.48Å; M1134-D1177 HydrophobicContact CG-CB 4.41Å; M1134-A1180 HydrophobicContact CB-CB 3.73Å; M1134-A1180 HydrophobicContact CG-CB 3.52Å |
| 1135 | K | 90.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.2 | -45.4 | 172.1 | -170 | -167.9 | 176.8 | -152.1 | 0 | 111.7 | E951 S1131 V1132 V1138 R1139 A1183 V1184 D1187 | E951-K1135 IonicContact OE1-NZ 2.7Å; E951-K1135 PolarHBondContact OE1-NZ 2.79Å; E951-K1135 IonicContact OE2-NZ 2.74Å; E951-K1135 PolarHBondContact OE2-NZ 2.89Å; S1131-K1135 PolarHBondContact O-N 2.7Å; V1132-K1135 HydrophobicContact CG2-CD 4.48Å; V1132-K1135 WeakPolarHBondContact O-CB 3.26Å; V1132-K1135 PolarHBondContact O-N 3.13Å; K1135-V1138 PolarHBondContact O-N 3.14Å; K1135-R1139 PolarHBondContact O-N 2.9Å; K1135-A1183 HydrophobicContact CD-CB 4.17Å; K1135-A1183 HydrophobicContact CG-CB 4.21Å; K1135-V1184 HydrophobicContact CB-CG2 4.2Å; K1135-V1184 HydrophobicContact CG-CG2 3.44Å; K1135-V1184 VanDerWaalsContact CG-CG2 3.44Å; K1135-V1184 WeakPolarHBondContact O-CG2 3.49Å; K1135-D1187 WeakPolarHBondContact CE-OD1 3.22Å; K1135-D1187 WeakPolarHBondContact CE-OD2 3.31Å; K1135-D1187 IonicContact NZ-OD1 3.66Å; K1135-D1187 PolarHBondContact NZ-OD1 2.99Å; K1135-D1187 IonicContact NZ-OD2 2.69Å; K1135-D1187 PolarHBondContact NZ-OD2 2.85Å |
| 1136 | L | 89.1 | Confident | 90.9 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 32% | 0.319 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 173.6 | -81.1 | 175.5 | 0 | 0 | 0 | 112.9 | S1011 V1132 W1133 M1134 V1138 R1139 E1140 | S1011-L1136 VanDerWaalsContact OG-CD1 3.29Å; S1011-L1136 WeakPolarHBondContact OG-CD1 3.18Å; S1011-L1136 WeakPolarHBondContact OG-CD2 3.48Å; S1011-L1136 VanDerWaalsContact OG-CG 3.23Å; S1011-L1136 WeakPolarHBondContact OG-CG 3.32Å; V1132-L1136 PolarHBondContact O-N 2.91Å; W1133-L1136 HydrophobicContact CE3-CD1 4.02Å; W1133-L1136 HydrophobicContact CZ3-CD1 4.17Å; W1133-L1136 PolarHBondContact O-N 2.73Å; M1134-L1136 VanDerWaalsContact C-N 3.33Å; M1134-L1136 PolarHBondContact O-N 3.06Å; L1136-V1138 VanDerWaalsContact C-N 3.33Å; L1136-V1138 PolarHBondContact O-N 3.34Å; L1136-R1139 PolarHBondContact O-N 3.06Å; L1136-E1140 WeakPolarHBondContact O-CB 3.29Å; L1136-E1140 PolarHBondContact O-N 3.17Å |
| 1137 | Q | 90 | Very high | 90.6 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.8 | -39 | 179.8 | -67.4 | 179.5 | 25 | 0 | 0 | 112.3 | W1133 M1134 L1141 | W1133-Q1137 PolarHBondContact O-N 2.72Å; M1134-Q1137 PolarHBondContact O-N 2.87Å; M1134-Q1137 VanDerWaalsContact O-N 3.16Å; Q1137-L1141 VanDerWaalsContact O-CB 3.32Å; Q1137-L1141 WeakPolarHBondContact O-CB 3.47Å; Q1137-L1141 PolarHBondContact O-N 2.8Å |
| 1138 | V | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | 174 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | M1134 K1135 L1136 F1142 I1175 I1181 V1184 | M1134-V1138 PolarHBondContact O-N 2.73Å; M1134-V1138 VanDerWaalsContact O-N 3.11Å; K1135-V1138 PolarHBondContact O-N 3.14Å; L1136-V1138 VanDerWaalsContact C-N 3.33Å; L1136-V1138 PolarHBondContact O-N 3.34Å; V1138-F1142 HydrophobicContact CG1-CD2 4.18Å; V1138-F1142 HydrophobicContact CG1-CE2 4.3Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.48Å; V1138-F1142 PolarHBondContact O-N 3.04Å; V1138-I1175 HydrophobicContact CG2-CD1 3.77Å; V1138-I1175 HydrophobicContact CG2-CG1 3.87Å; V1138-I1175 HydrophobicContact CG2-CG2 3.82Å; V1138-I1181 HydrophobicContact CG2-CG1 4.33Å; V1138-V1184 HydrophobicContact CB-CG2 3.93Å; V1138-V1184 HydrophobicContact CG1-CB 4.04Å; V1138-V1184 HydrophobicContact CG1-CG1 4.17Å; V1138-V1184 HydrophobicContact CG1-CG2 3.92Å |
| 1139 | R | 91.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 4% | 0.038 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -46.9 | 178 | -169.9 | 175.3 | -178.2 | 113.1 | -5.3 | 112.1 | S1009 F1067 K1135 L1136 F1142 N1143 V1184 D1187 E1191 | S1009-R1139 WeakPolarHBondContact O-CD 3.36Å; S1009-R1139 PolarHBondContact O-NE 3.08Å; S1009-R1139 PolarHBondContact O-NH1 3Å; S1009-R1139 VanDerWaalsContact O-NH1 3.16Å; S1009-R1139 PolarHBondContact O-NH2 3.42Å; F1067-R1139 VanDerWaalsContact CD1-NH1 3.25Å; F1067-R1139 HydrophobicContact CD2-CG 4.21Å; F1067-R1139 HydrophobicContact CE2-CG 3.65Å; F1067-R1139 VanDerWaalsContact CG-CZ 3.46Å; F1067-R1139 HydrophobicContact CZ-CG 3.88Å; K1135-R1139 PolarHBondContact O-N 2.9Å; L1136-R1139 PolarHBondContact O-N 3.06Å; R1139-F1142 PolarHBondContact O-N 2.67Å; R1139-N1143 PolarHBondContact O-N 3.38Å; R1139-V1184 HydrophobicContact CB-CG1 4.43Å; R1139-D1187 IonicContact NH1-OD2 2.73Å; R1139-E1191 IonicContact CZ-OE1 2.71Å; R1139-E1191 IonicContact CZ-OE2 2.73Å; R1139-E1191 IonicContact NH1-OE1 3.81Å; R1139-E1191 PolarHBondContact NH1-OE1 3.04Å; R1139-E1191 IonicContact NH1-OE2 3.55Å; R1139-E1191 PolarHBondContact NH1-OE2 2.75Å; R1139-E1191 IonicContact NH2-OE1 3.6Å; R1139-E1191 IonicContact NH2-OE2 3.54Å; R1139-E1191 PolarHBondContact NH2-OE2 3.45Å |
| 1140 | E | 88.8 | Confident | 90 | Very high | 81 Ų | 81 | 36.8 Ų | 36.8 | 38% | 0.379 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.3 | -36.8 | 179 | 172.9 | 61.9 | 173.9 | 0 | 0 | 112.4 | L1136 F1142 N1143 R1144 | L1136-E1140 WeakPolarHBondContact O-CB 3.29Å; L1136-E1140 PolarHBondContact O-N 3.17Å; E1140-F1142 PolarHBondContact O-N 3Å; E1140-N1143 PolarHBondContact O-N 3.43Å; E1140-R1144 WeakPolarHBondContact O-CB 3.07Å; E1140-R1144 VanDerWaalsContact O-CG 3.3Å; E1140-R1144 WeakPolarHBondContact O-CG 3.47Å; E1140-R1144 PolarHBondContact O-N 3.3Å; E1140-R1144 IonicContact OE1-CZ 2.78Å; E1140-R1144 IonicContact OE1-NE 3.16Å; E1140-R1144 PolarHBondContact OE1-NE 2.77Å; E1140-R1144 IonicContact OE1-NH2 3.77Å; E1140-R1144 PolarHBondContact OE1-NH2 2.48Å |
| 1141 | L | 91.1 | Very high | 90 | Very high | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.3 | -52.7 | 170 | 171.2 | 65.4 | 0 | 0 | 0 | 110.9 | Q1137 R1144 V1145 L1170 I1175 | Q1137-L1141 VanDerWaalsContact O-CB 3.32Å; Q1137-L1141 WeakPolarHBondContact O-CB 3.47Å; Q1137-L1141 PolarHBondContact O-N 2.8Å; L1141-R1144 PolarHBondContact O-N 3.12Å; L1141-V1145 HydrophobicContact CD1-CG2 4.26Å; L1141-V1145 WeakPolarHBondContact O-CG2 3.1Å; L1141-V1145 PolarHBondContact O-N 3.47Å; L1141-L1170 HydrophobicContact CD2-CD2 3.72Å; L1141-I1175 HydrophobicContact CD2-CD1 4.41Å |
| 1142 | F | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.6 | -37.2 | -177.9 | -84.5 | -69.4 | 0 | 0 | 0 | 112.8 | L1066 F1107 K1110 V1138 R1139 E1140 R1144 V1145 T1146 V1168 L1170 | L1066-F1142 HydrophobicContact CD2-CB 3.7Å; L1066-F1142 HydrophobicContact CD2-CD1 4.5Å; L1066-F1142 HydrophobicContact CD2-CG 4.35Å; F1107-F1142 HydrophobicContact CB-CD1 4.36Å; F1107-F1142 HydrophobicContact CB-CE1 4.28Å; F1107-F1142 HydrophobicContact CD2-CB 4.29Å; F1107-F1142 AromaticContact CD2-CD1 3.9Å; F1107-F1142 HydrophobicContact CD2-CD1 3.9Å; F1107-F1142 AromaticContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CD2 3.56Å; F1107-F1142 HydrophobicContact CD2-CE1 4.03Å; F1107-F1142 AromaticContact CD2-CE2 3.68Å; F1107-F1142 HydrophobicContact CD2-CE2 3.68Å; F1107-F1142 AromaticContact CD2-CG 3.66Å; F1107-F1142 HydrophobicContact CD2-CG 3.66Å; F1107-F1142 AromaticContact CD2-CZ 3.92Å; F1107-F1142 HydrophobicContact CD2-CZ 3.92Å; F1107-F1142 AromaticContact CE2-CD2 3.77Å; F1107-F1142 HydrophobicContact CE2-CD2 3.77Å; F1107-F1142 AromaticContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CE2 3.92Å; F1107-F1142 HydrophobicContact CE2-CG 4.27Å; K1110-F1142 HydrophobicContact CB-CE1 4.47Å; K1110-F1142 HydrophobicContact CB-CZ 4Å; V1138-F1142 HydrophobicContact CG1-CD2 4.18Å; V1138-F1142 HydrophobicContact CG1-CE2 4.3Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.48Å; V1138-F1142 PolarHBondContact O-N 3.04Å; R1139-F1142 PolarHBondContact O-N 2.67Å; E1140-F1142 PolarHBondContact O-N 3Å; F1142-R1144 VanDerWaalsContact C-N 3.34Å; F1142-R1144 PolarHBondContact O-N 2.94Å; F1142-V1145 PolarHBondContact O-N 3.12Å; F1142-T1146 WeakPolarHBondContact O-CB 3.46Å; F1142-T1146 PolarHBondContact O-N 3.47Å; F1142-T1146 PolarHBondContact O-OG1 3.47Å; F1142-V1168 HydrophobicContact CE1-CG1 3.74Å; F1142-V1168 HydrophobicContact CZ-CG1 3.87Å; F1142-L1170 HydrophobicContact CE2-CD1 4.06Å; F1142-L1170 HydrophobicContact CE2-CD2 3.89Å; F1142-L1170 HydrophobicContact CE2-CG 4.48Å; F1142-L1170 HydrophobicContact CZ-CD1 4.01Å; F1142-L1170 HydrophobicContact CZ-CD2 4.33Å |
| 1143 | N | 90.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 171.6 | -79.3 | -6.8 | 0 | 0 | 0 | 111.6 | D1063 R1139 E1140 K1147 | D1063-N1143 PolarHBondContact OD1-ND2 3.24Å; D1063-N1143 VanDerWaalsContact OD1-ND2 3.07Å; R1139-N1143 PolarHBondContact O-N 3.38Å; E1140-N1143 PolarHBondContact O-N 3.43Å; N1143-K1147 WeakPolarHBondContact O-CB 3.37Å; N1143-K1147 PolarHBondContact O-N 3.07Å |
| 1144 | R | 90.1 | Very high | 90.3 | Very high | 151 Ų | 151 | 46 Ų | 46 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.2 | -43.4 | 174.6 | -71.9 | 176 | -170.7 | -167.5 | 6.4 | 112.6 | E1140 L1141 F1142 S1148 | E1140-R1144 WeakPolarHBondContact O-CB 3.07Å; E1140-R1144 VanDerWaalsContact O-CG 3.3Å; E1140-R1144 WeakPolarHBondContact O-CG 3.47Å; E1140-R1144 PolarHBondContact O-N 3.3Å; E1140-R1144 IonicContact OE1-CZ 2.78Å; E1140-R1144 IonicContact OE1-NE 3.16Å; E1140-R1144 PolarHBondContact OE1-NE 2.77Å; E1140-R1144 IonicContact OE1-NH2 3.77Å; E1140-R1144 PolarHBondContact OE1-NH2 2.48Å; L1141-R1144 PolarHBondContact O-N 3.12Å; F1142-R1144 VanDerWaalsContact C-N 3.34Å; F1142-R1144 PolarHBondContact O-N 2.94Å; R1144-S1148 WeakPolarHBondContact O-CB 3.19Å; R1144-S1148 PolarHBondContact O-N 3.05Å; R1144-S1148 PolarHBondContact O-OG 3.26Å |
| 1145 | V | 91.5 | Very high | 90.4 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -57.1 | 176.9 | 169 | 0 | 0 | 0 | 0 | 109.9 | L1106 L1141 F1142 K1147 S1148 T1149 I1164 V1168 | L1106-V1145 HydrophobicContact CD2-CG1 4.37Å; L1141-V1145 HydrophobicContact CD1-CG2 4.26Å; L1141-V1145 WeakPolarHBondContact O-CG2 3.1Å; L1141-V1145 PolarHBondContact O-N 3.47Å; F1142-V1145 PolarHBondContact O-N 3.12Å; V1145-K1147 VanDerWaalsContact C-N 3.33Å; V1145-K1147 PolarHBondContact O-N 3.4Å; V1145-S1148 PolarHBondContact O-N 2.85Å; V1145-T1149 PolarHBondContact O-N 3.13Å; V1145-T1149 PolarHBondContact O-OG1 3.23Å; V1145-T1149 VanDerWaalsContact O-OG1 3.11Å; V1145-I1164 HydrophobicContact CG1-CG2 4.11Å; V1145-V1168 HydrophobicContact CB-CG2 4.45Å; V1145-V1168 HydrophobicContact CG1-CG2 3.77Å; V1145-V1168 HydrophobicContact CG2-CG2 3.85Å |
| 1146 | T | 90.9 | Very high | 90.3 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | L1065 L1066 F1142 S1148 T1149 L1150 | L1065-T1146 HydrophobicContact CB-CG2 4.35Å; L1065-T1146 WeakPolarHBondContact O-CG2 3.39Å; L1066-T1146 HydrophobicContact CB-CG2 4.35Å; F1142-T1146 WeakPolarHBondContact O-CB 3.46Å; F1142-T1146 PolarHBondContact O-N 3.47Å; F1142-T1146 PolarHBondContact O-OG1 3.47Å; T1146-S1148 VanDerWaalsContact C-N 3.27Å; T1146-S1148 PolarHBondContact O-N 3.36Å; T1146-T1149 PolarHBondContact O-N 3.1Å; T1146-L1150 HydrophobicContact CG2-CD1 3.89Å; T1146-L1150 HydrophobicContact CG2-CG 4.28Å; T1146-L1150 WeakPolarHBondContact O-CB 3.41Å; T1146-L1150 VanDerWaalsContact O-CG 3.26Å; T1146-L1150 WeakPolarHBondContact O-CG 3.03Å; T1146-L1150 PolarHBondContact O-N 3.31Å |
| 1147 | K | 90.4 | Very high | 90.3 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 45% | 0.452 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.1 | -34.7 | 174.8 | -169.4 | 172.6 | -175.5 | 174.1 | 0 | 113 | L1065 N1143 V1145 K1151 | L1065-K1147 HydrophobicContact CD1-CB 3.74Å; L1065-K1147 HydrophobicContact CD1-CD 4.08Å; L1065-K1147 HydrophobicContact CD1-CG 3.93Å; N1143-K1147 WeakPolarHBondContact O-CB 3.37Å; N1143-K1147 PolarHBondContact O-N 3.07Å; V1145-K1147 VanDerWaalsContact C-N 3.33Å; V1145-K1147 PolarHBondContact O-N 3.4Å; K1147-K1151 WeakPolarHBondContact O-CG 3.42Å; K1147-K1151 PolarHBondContact O-N 3.22Å |
| 1148 | S | 90.3 | Very high | 90.2 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -80.4 | -42.2 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | R1144 V1145 T1146 K1151 A1152 | R1144-S1148 WeakPolarHBondContact O-CB 3.19Å; R1144-S1148 PolarHBondContact O-N 3.05Å; R1144-S1148 PolarHBondContact O-OG 3.26Å; V1145-S1148 PolarHBondContact O-N 2.85Å; T1146-S1148 VanDerWaalsContact C-N 3.27Å; T1146-S1148 PolarHBondContact O-N 3.36Å; S1148-K1151 WeakPolarHBondContact O-CB 3.38Å; S1148-K1151 PolarHBondContact O-N 3.34Å; S1148-A1152 PolarHBondContact O-N 2.87Å |
| 1149 | T | 89.9 | Confident | 90.1 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 175.1 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | I1081 V1145 T1146 K1151 A1152 I1153 I1161 I1164 | I1081-T1149 HydrophobicContact CD1-CG2 3.59Å; I1081-T1149 HydrophobicContact CG1-CG2 4Å; V1145-T1149 PolarHBondContact O-N 3.13Å; V1145-T1149 PolarHBondContact O-OG1 3.23Å; V1145-T1149 VanDerWaalsContact O-OG1 3.11Å; T1146-T1149 PolarHBondContact O-N 3.1Å; T1149-K1151 VanDerWaalsContact C-N 3.32Å; T1149-K1151 PolarHBondContact O-N 2.74Å; T1149-A1152 PolarHBondContact O-N 3.1Å; T1149-A1152 VanDerWaalsContact O-N 3.11Å; T1149-I1153 HydrophobicContact CG2-CD1 4.02Å; T1149-I1153 HydrophobicContact CG2-CG1 4.42Å; T1149-I1153 VanDerWaalsContact O-CG1 3.3Å; T1149-I1153 WeakPolarHBondContact O-CG1 3.41Å; T1149-I1153 PolarHBondContact O-N 2.9Å; T1149-I1161 HydrophobicContact CG2-CG2 4.24Å; T1149-I1164 WeakPolarHBondContact OG1-CG2 3.38Å |
| 1150 | L | 90.3 | Very high | 90.1 | Very high | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 176.1 | -73.3 | 169.7 | 0 | 0 | 0 | 112.3 | L1065 R1077 T1146 I1153 V1154 | L1065-L1150 HydrophobicContact CD2-CD1 4.26Å; R1077-L1150 HydrophobicContact CG-CD2 4.38Å; T1146-L1150 HydrophobicContact CG2-CD1 3.89Å; T1146-L1150 HydrophobicContact CG2-CG 4.28Å; T1146-L1150 WeakPolarHBondContact O-CB 3.41Å; T1146-L1150 VanDerWaalsContact O-CG 3.26Å; T1146-L1150 WeakPolarHBondContact O-CG 3.03Å; T1146-L1150 PolarHBondContact O-N 3.31Å; L1150-I1153 HydrophobicContact CD2-CD1 4.46Å; L1150-V1154 WeakPolarHBondContact O-CG2 3.28Å; L1150-V1154 PolarHBondContact O-N 2.84Å; L1150-V1154 VanDerWaalsContact O-N 3.16Å |
| 1151 | K | 90.6 | Very high | 90 | Very high | 136 Ų | 136 | 61.1 Ų | 61.1 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 171.5 | -74.6 | -179.2 | 171.5 | -163.4 | 0 | 112.2 | K1147 S1148 T1149 I1153 V1154 H1155 | K1147-K1151 WeakPolarHBondContact O-CG 3.42Å; K1147-K1151 PolarHBondContact O-N 3.22Å; S1148-K1151 WeakPolarHBondContact O-CB 3.38Å; S1148-K1151 PolarHBondContact O-N 3.34Å; T1149-K1151 VanDerWaalsContact C-N 3.32Å; T1149-K1151 PolarHBondContact O-N 2.74Å; K1151-I1153 VanDerWaalsContact C-N 3.32Å; K1151-I1153 PolarHBondContact O-N 2.93Å; K1151-V1154 PolarHBondContact O-N 3.04Å; K1151-H1155 PolarHBondContact O-CD2 2.9Å; K1151-H1155 PolarHBondContact O-N 3.39Å |
| 1152 | A | 89.8 | Confident | 89.9 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.9 | -31.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1148 T1149 H1155 E1156 D1157 A1160 I1161 I1164 | S1148-A1152 PolarHBondContact O-N 2.87Å; T1149-A1152 PolarHBondContact O-N 3.1Å; T1149-A1152 VanDerWaalsContact O-N 3.11Å; A1152-H1155 CarbonylContact O-C 3.57Å; A1152-H1155 PolarHBondContact O-N 3.5Å; A1152-E1156 PolarHBondContact O-N 3.13Å; A1152-E1156 VanDerWaalsContact O-N 3.07Å; A1152-D1157 PolarHBondContact O-N 2.9Å; A1152-A1160 HydrophobicContact CB-CB 3.99Å; A1152-I1161 HydrophobicContact CB-CD1 4.46Å; A1152-I1161 HydrophobicContact CB-CG1 3.53Å; A1152-I1164 HydrophobicContact CB-CD1 4.09Å |
| 1153 | I | 88.7 | Confident | 89.7 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 168.7 | -70.2 | 164.3 | 0 | 0 | 0 | 110.9 | V1080 I1081 I1084 T1149 L1150 K1151 H1155 E1156 I1161 | V1080-I1153 HydrophobicContact CG1-CG2 3.62Å; I1081-I1153 HydrophobicContact CD1-CD1 4.15Å; I1081-I1153 HydrophobicContact CG1-CD1 3.69Å; I1081-I1153 HydrophobicContact CG1-CG1 4.17Å; I1084-I1153 HydrophobicContact CD1-CB 4.4Å; I1084-I1153 HydrophobicContact CD1-CG1 4.38Å; I1084-I1153 HydrophobicContact CD1-CG2 4.08Å; T1149-I1153 HydrophobicContact CG2-CD1 4.02Å; T1149-I1153 HydrophobicContact CG2-CG1 4.42Å; T1149-I1153 VanDerWaalsContact O-CG1 3.3Å; T1149-I1153 WeakPolarHBondContact O-CG1 3.41Å; T1149-I1153 PolarHBondContact O-N 2.9Å; L1150-I1153 HydrophobicContact CD2-CD1 4.46Å; K1151-I1153 VanDerWaalsContact C-N 3.32Å; K1151-I1153 PolarHBondContact O-N 2.93Å; I1153-H1155 PolarHBondContact O-N 2.8Å; I1153-E1156 PolarHBondContact O-N 2.83Å; I1153-I1161 HydrophobicContact CG1-CD1 3.91Å |
| 1154 | V | 89.9 | Confident | 89.7 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 72% | 0.715 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.6 | -23.3 | 178.3 | 169.5 | 0 | 0 | 0 | 0 | 112.8 | L1150 K1151 | L1150-V1154 WeakPolarHBondContact O-CG2 3.28Å; L1150-V1154 PolarHBondContact O-N 2.84Å; L1150-V1154 VanDerWaalsContact O-N 3.16Å; K1151-V1154 PolarHBondContact O-N 3.04Å |
| 1155 | H | 89.6 | Confident | 89.6 | Confident | 146 Ų | 146 | 60.9 Ų | 60.9 | 68% | 0.676 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5 | 173.3 | -63.4 | -58.3 | 0 | 0 | 0 | 114 | K1151 A1152 I1153 D1157 | K1151-H1155 PolarHBondContact O-CD2 2.9Å; K1151-H1155 PolarHBondContact O-N 3.39Å; A1152-H1155 CarbonylContact O-C 3.57Å; A1152-H1155 PolarHBondContact O-N 3.5Å; I1153-H1155 PolarHBondContact O-N 2.8Å; H1155-D1157 PolarHBondContact O-N 2.81Å |
| 1156 | E | 88 | Confident | 89.2 | Confident | 154 Ų | 154 | 65 Ų | 65 | 72% | 0.72 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 23.2 | -174.2 | -60 | -173.9 | 167.1 | 0 | 0 | 114.9 | I1084 A1152 I1153 A1158 | I1084-E1156 WeakPolarHBondContact CG2-O 3.34Å; A1152-E1156 PolarHBondContact O-N 3.13Å; A1152-E1156 VanDerWaalsContact O-N 3.07Å; I1153-E1156 PolarHBondContact O-N 2.83Å; E1156-A1158 PolarHBondContact O-N 2.98Å |
| 1157 | D | 89.5 | Confident | 89 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | trans | -80.6 | 86.3 | -173.5 | -171.2 | -14.9 | 0 | 0 | 0 | 111.5 | A1152 H1155 K1159 A1160 I1161 | A1152-D1157 PolarHBondContact O-N 2.9Å; H1155-D1157 PolarHBondContact O-N 2.81Å; D1157-K1159 PolarHBondContact O-N 3.07Å; D1157-K1159 VanDerWaalsContact O-N 3.08Å; D1157-K1159 WeakPolarHBondContact OD1-CA 3.26Å; D1157-K1159 WeakPolarHBondContact OD1-CB 3.22Å; D1157-K1159 PolarHBondContact OD1-N 3.36Å; D1157-A1160 HydrophobicContact CB-CB 3.85Å; D1157-A1160 VanDerWaalsContact CG-CB 3.42Å; D1157-A1160 PolarHBondContact O-N 3Å; D1157-A1160 PolarHBondContact OD1-N 3.44Å; D1157-A1160 WeakPolarHBondContact OD2-CB 3.39Å; D1157-I1161 WeakPolarHBondContact O-CG1 3.45Å; D1157-I1161 PolarHBondContact O-N 3.01Å | ||
| 1158 | A | 88.8 | Confident | 89 | Confident | 30 Ų | 30 | 65.5 Ų | 65.5 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.1 | -22.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1084 E1156 K1162 | I1084-A1158 HydrophobicContact CG2-CB 3.86Å; I1084-A1158 VanDerWaalsContact O-CB 3.27Å; I1084-A1158 WeakPolarHBondContact O-CB 3.13Å; E1156-A1158 PolarHBondContact O-N 2.98Å; A1158-K1162 VanDerWaalsContact O-CD 3.29Å; A1158-K1162 WeakPolarHBondContact O-CD 3.32Å; A1158-K1162 VanDerWaalsContact O-CG 3.24Å; A1158-K1162 WeakPolarHBondContact O-CG 3.15Å |
| 1159 | K | 89.6 | Confident | 88.9 | Confident | 140 Ų | 140 | 66 Ų | 66 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -85.6 | -50.4 | 175.2 | -169.3 | -161.2 | 171.1 | -156.8 | 0 | 110.4 | D1157 I1161 K1162 D1163 | D1157-K1159 PolarHBondContact O-N 3.07Å; D1157-K1159 VanDerWaalsContact O-N 3.08Å; D1157-K1159 WeakPolarHBondContact OD1-CA 3.26Å; D1157-K1159 WeakPolarHBondContact OD1-CB 3.22Å; D1157-K1159 PolarHBondContact OD1-N 3.36Å; K1159-I1161 VanDerWaalsContact C-N 3.26Å; K1159-I1161 PolarHBondContact O-N 2.95Å; K1159-K1162 WeakPolarHBondContact O-CA 3.4Å; K1159-K1162 WeakPolarHBondContact O-CB 3.34Å; K1159-K1162 PolarHBondContact O-N 2.83Å; K1159-D1163 VanDerWaalsContact CE-OD2 3.23Å; K1159-D1163 WeakPolarHBondContact CE-OD2 3.4Å; K1159-D1163 IonicContact NZ-OD2 3.86Å; K1159-D1163 PolarHBondContact O-N 3.14Å |
| 1160 | A | 90.3 | Very high | 89 | Confident | 27 Ų | 27 | 66 Ų | 66 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.2 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1152 D1157 K1162 D1163 I1164 | A1152-A1160 HydrophobicContact CB-CB 3.99Å; D1157-A1160 HydrophobicContact CB-CB 3.85Å; D1157-A1160 VanDerWaalsContact CG-CB 3.42Å; D1157-A1160 PolarHBondContact O-N 3Å; D1157-A1160 PolarHBondContact OD1-N 3.44Å; D1157-A1160 WeakPolarHBondContact OD2-CB 3.39Å; A1160-K1162 PolarHBondContact O-N 3.12Å; A1160-D1163 PolarHBondContact O-N 3.39Å; A1160-I1164 WeakPolarHBondContact O-CB 3.34Å; A1160-I1164 VanDerWaalsContact O-CD1 3.28Å; A1160-I1164 WeakPolarHBondContact O-CD1 2.87Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.46Å; A1160-I1164 PolarHBondContact O-N 3.32Å |
| 1161 | I | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.5 | -60.9 | 167.2 | 0 | 0 | 0 | 111 | I1081 I1084 T1085 T1149 A1152 I1153 D1157 K1159 D1163 I1164 I1165 | I1081-I1161 HydrophobicContact CG2-CG2 4.01Å; I1084-I1161 HydrophobicContact CB-CD1 4.32Å; I1084-I1161 HydrophobicContact CD1-CD1 4.37Å; I1084-I1161 HydrophobicContact CG2-CD1 3.82Å; T1085-I1161 HydrophobicContact CG2-CB 3.69Å; T1085-I1161 HydrophobicContact CG2-CD1 4.12Å; T1085-I1161 HydrophobicContact CG2-CG2 3.46Å; T1085-I1161 VanDerWaalsContact CG2-CG2 3.46Å; T1149-I1161 HydrophobicContact CG2-CG2 4.24Å; A1152-I1161 HydrophobicContact CB-CD1 4.46Å; A1152-I1161 HydrophobicContact CB-CG1 3.53Å; I1153-I1161 HydrophobicContact CG1-CD1 3.91Å; D1157-I1161 WeakPolarHBondContact O-CG1 3.45Å; D1157-I1161 PolarHBondContact O-N 3.01Å; K1159-I1161 VanDerWaalsContact C-N 3.26Å; K1159-I1161 PolarHBondContact O-N 2.95Å; I1161-D1163 PolarHBondContact O-N 2.99Å; I1161-I1164 PolarHBondContact O-N 2.76Å; I1161-I1165 HydrophobicContact CG2-CD1 3.67Å; I1161-I1165 HydrophobicContact CG2-CG1 4.36Å; I1161-I1165 WeakPolarHBondContact O-CB 3.35Å; I1161-I1165 WeakPolarHBondContact O-CG1 3.31Å; I1161-I1165 PolarHBondContact O-N 2.85Å |
| 1162 | K | 88.5 | Confident | 89 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 177.2 | -77.7 | 171.1 | -175.7 | 167.8 | 0 | 112.4 | T1085 L1087 A1158 K1159 A1160 I1165 Q1166 | T1085-K1162 HydrophobicContact CG2-CG 4.45Å; T1085-K1162 WeakPolarHBondContact O-CE 3.41Å; T1085-K1162 PolarHBondContact O-NZ 3.17Å; L1087-K1162 HydrophobicContact CD1-CG 3.94Å; L1087-K1162 HydrophobicContact CD2-CD 4.45Å; L1087-K1162 HydrophobicContact CD2-CG 4.09Å; L1087-K1162 HydrophobicContact CG-CG 4.03Å; A1158-K1162 VanDerWaalsContact O-CD 3.29Å; A1158-K1162 WeakPolarHBondContact O-CD 3.32Å; A1158-K1162 VanDerWaalsContact O-CG 3.24Å; A1158-K1162 WeakPolarHBondContact O-CG 3.15Å; K1159-K1162 WeakPolarHBondContact O-CA 3.4Å; K1159-K1162 WeakPolarHBondContact O-CB 3.34Å; K1159-K1162 PolarHBondContact O-N 2.83Å; A1160-K1162 PolarHBondContact O-N 3.12Å; K1162-I1165 PolarHBondContact O-N 3.12Å; K1162-Q1166 WeakPolarHBondContact O-CG 3.32Å; K1162-Q1166 PolarHBondContact O-N 3.39Å; K1162-Q1166 PolarHBondContact O-NE2 2.86Å |
| 1163 | D | 89 | Confident | 88.9 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | -178.9 | -65 | -11.3 | 0 | 0 | 0 | 110.2 | K1159 A1160 I1161 I1165 Q1166 L1167 | K1159-D1163 VanDerWaalsContact CE-OD2 3.23Å; K1159-D1163 WeakPolarHBondContact CE-OD2 3.4Å; K1159-D1163 IonicContact NZ-OD2 3.86Å; K1159-D1163 PolarHBondContact O-N 3.14Å; A1160-D1163 PolarHBondContact O-N 3.39Å; I1161-D1163 PolarHBondContact O-N 2.99Å; D1163-I1165 PolarHBondContact O-N 3.39Å; D1163-Q1166 PolarHBondContact O-N 2.99Å; D1163-L1167 WeakPolarHBondContact O-CG 3.14Å; D1163-L1167 PolarHBondContact O-N 3.3Å |
| 1164 | I | 90.2 | Very high | 88.9 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.4 | -69.1 | 160.3 | 0 | 0 | 0 | 111.9 | V1145 T1149 A1152 A1160 I1161 Q1166 L1167 | V1145-I1164 HydrophobicContact CG1-CG2 4.11Å; T1149-I1164 WeakPolarHBondContact OG1-CG2 3.38Å; A1152-I1164 HydrophobicContact CB-CD1 4.09Å; A1160-I1164 WeakPolarHBondContact O-CB 3.34Å; A1160-I1164 VanDerWaalsContact O-CD1 3.28Å; A1160-I1164 WeakPolarHBondContact O-CD1 2.87Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.46Å; A1160-I1164 PolarHBondContact O-N 3.32Å; I1161-I1164 PolarHBondContact O-N 2.76Å; I1164-Q1166 VanDerWaalsContact C-N 3.3Å; I1164-Q1166 PolarHBondContact O-N 2.95Å; I1164-L1167 PolarHBondContact O-N 3.14Å |
| 1165 | I | 86.5 | Confident | 89 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.1 | -30.4 | 179 | -69.4 | 171.9 | 0 | 0 | 0 | 112 | I1081 L1087 L1106 I1161 K1162 D1163 V1168 W1319 | I1081-I1165 HydrophobicContact CG2-CD1 4.12Å; L1087-I1165 HydrophobicContact CD1-CD1 3.92Å; L1106-I1165 HydrophobicContact CD1-CG2 4.04Å; L1106-I1165 HydrophobicContact CD2-CG1 3.87Å; L1106-I1165 HydrophobicContact CD2-CG2 4.43Å; I1161-I1165 HydrophobicContact CG2-CD1 3.67Å; I1161-I1165 HydrophobicContact CG2-CG1 4.36Å; I1161-I1165 WeakPolarHBondContact O-CB 3.35Å; I1161-I1165 WeakPolarHBondContact O-CG1 3.31Å; I1161-I1165 PolarHBondContact O-N 2.85Å; K1162-I1165 PolarHBondContact O-N 3.12Å; D1163-I1165 PolarHBondContact O-N 3.39Å; I1165-V1168 WeakPolarHBondContact O-CG2 3.36Å; I1165-V1168 PolarHBondContact O-N 3.2Å; I1165-W1319 HydrophobicContact CG2-CH2 4.37Å; I1165-W1319 HydrophobicContact CG2-CZ2 4.04Å |
| 1166 | Q | 85 | Confident | 89 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.4 | -30.5 | 174.2 | -75.3 | 166.8 | 83.7 | 0 | 0 | 112.8 | K1162 D1163 I1164 V1168 W1319 | K1162-Q1166 WeakPolarHBondContact O-CG 3.32Å; K1162-Q1166 PolarHBondContact O-N 3.39Å; K1162-Q1166 PolarHBondContact O-NE2 2.86Å; D1163-Q1166 PolarHBondContact O-N 2.99Å; I1164-Q1166 VanDerWaalsContact C-N 3.3Å; I1164-Q1166 PolarHBondContact O-N 2.95Å; Q1166-V1168 PolarHBondContact O-N 2.9Å; Q1166-W1319 HydrophobicContact CG-CD2 3.95Å; Q1166-W1319 HydrophobicContact CG-CE3 3.6Å; Q1166-W1319 HydrophobicContact CG-CH2 3.52Å; Q1166-W1319 HydrophobicContact CG-CZ2 3.87Å; Q1166-W1319 HydrophobicContact CG-CZ3 3.38Å |
| 1167 | L | 85.5 | Confident | 89 | Confident | 131 Ų | 131 | 52.3 Ų | 52.3 | 69% | 0.686 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.8 | 176.8 | -65.8 | 170.8 | 0 | 0 | 0 | 114.1 | D1163 I1164 D1169 | D1163-L1167 WeakPolarHBondContact O-CG 3.14Å; D1163-L1167 PolarHBondContact O-N 3.3Å; I1164-L1167 PolarHBondContact O-N 3.14Å; L1167-D1169 VanDerWaalsContact C-N 3.32Å; L1167-D1169 PolarHBondContact O-N 3.41Å |
| 1168 | V | 89.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | trans | -78.1 | 79.6 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | L1106 K1110 F1142 V1145 I1165 Q1166 | L1106-V1168 HydrophobicContact CD2-CG2 4.46Å; K1110-V1168 HydrophobicContact CB-CG1 4.46Å; K1110-V1168 HydrophobicContact CD-CB 4.46Å; K1110-V1168 HydrophobicContact CD-CG1 4.17Å; K1110-V1168 HydrophobicContact CG-CG1 4.05Å; K1110-V1168 PolarHBondContact NZ-O 2.87Å; F1142-V1168 HydrophobicContact CE1-CG1 3.74Å; F1142-V1168 HydrophobicContact CZ-CG1 3.87Å; V1145-V1168 HydrophobicContact CB-CG2 4.45Å; V1145-V1168 HydrophobicContact CG1-CG2 3.77Å; V1145-V1168 HydrophobicContact CG2-CG2 3.85Å; I1165-V1168 WeakPolarHBondContact O-CG2 3.36Å; I1165-V1168 PolarHBondContact O-N 3.2Å; Q1166-V1168 PolarHBondContact O-N 2.9Å | ||
| 1169 | D | 89.4 | Confident | 89.6 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -94.1 | 117.8 | 172.6 | 179.4 | 30.9 | 0 | 0 | 0 | 112.3 | L1167 S1171 R1174 | L1167-D1169 VanDerWaalsContact C-N 3.32Å; L1167-D1169 PolarHBondContact O-N 3.41Å; D1169-S1171 WeakPolarHBondContact OD1-CB 3.28Å; D1169-S1171 PolarHBondContact OD1-N 2.7Å; D1169-S1171 PolarHBondContact OD1-OG 3.18Å; D1169-S1171 PolarHBondContact OD2-OG 2.96Å; D1169-S1171 VanDerWaalsContact OD2-OG 3.09Å; D1169-R1174 PolarHBondContact O-NH1 2.81Å; D1169-R1174 VanDerWaalsContact OD2-CB 3.23Å; D1169-R1174 WeakPolarHBondContact OD2-CB 3.31Å; D1169-R1174 WeakPolarHBondContact OD2-CD 3.45Å | ||
| 1170 | L | 92.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | trans | -113.5 | 11.8 | 173.3 | -60.7 | -176.3 | 0 | 0 | 0 | 112.9 | K1110 E1114 R1118 L1141 F1142 I1175 I1181 | K1110-L1170 HydrophobicContact CB-CD1 4.04Å; E1114-L1170 HydrophobicContact CB-CB 4.37Å; E1114-L1170 HydrophobicContact CG-CB 4.14Å; E1114-L1170 WeakPolarHBondContact CG-O 3.48Å; R1118-L1170 PolarHBondContact NH2-O 3.19Å; L1141-L1170 HydrophobicContact CD2-CD2 3.72Å; F1142-L1170 HydrophobicContact CE2-CD1 4.06Å; F1142-L1170 HydrophobicContact CE2-CD2 3.89Å; F1142-L1170 HydrophobicContact CE2-CG 4.48Å; F1142-L1170 HydrophobicContact CZ-CD1 4.01Å; F1142-L1170 HydrophobicContact CZ-CD2 4.33Å; L1170-I1175 HydrophobicContact CD2-CD1 3.69Å; L1170-I1181 HydrophobicContact CB-CD1 4.12Å | ||
| 1171 | S | 90.4 | Very high | 90 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | trans | -58.8 | 159.4 | -173.6 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | E1114 D1169 Q1173 R1174 I1175 | E1114-S1171 WeakPolarHBondContact OE1-CA 3.49Å; D1169-S1171 WeakPolarHBondContact OD1-CB 3.28Å; D1169-S1171 PolarHBondContact OD1-N 2.7Å; D1169-S1171 PolarHBondContact OD1-OG 3.18Å; D1169-S1171 PolarHBondContact OD2-OG 2.96Å; D1169-S1171 VanDerWaalsContact OD2-OG 3.09Å; S1171-Q1173 PolarHBondContact O-N 3.33Å; S1171-R1174 PolarHBondContact O-N 2.79Å; S1171-I1175 PolarHBondContact O-N 3.4Å | ||
| 1172 | A | 90.1 | Very high | 90.4 | Very high | 15 Ų | 15 | 41 Ų | 41 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -12.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1176 | A1172-P1176 WeakPolarHBondContact O-CA 3.35Š|
| 1173 | Q | 88.4 | Confident | 90.6 | Very high | 141 Ų | 141 | 38.3 Ų | 38.3 | 66% | 0.659 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -38.5 | 171 | -73.7 | 79.3 | -16.3 | 0 | 0 | 111.5 | S1171 | S1171-Q1173 PolarHBondContact O-N 3.33Š|
| 1174 | R | 88.2 | Confident | 90.9 | Very high | 112 Ų | 112 | 35.2 Ų | 35.2 | 42% | 0.423 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -39.1 | -172.3 | -171.1 | 164 | -177.4 | -97.9 | -6.5 | 113.4 | D1169 S1171 | D1169-R1174 PolarHBondContact O-NH1 2.81Å; D1169-R1174 VanDerWaalsContact OD2-CB 3.23Å; D1169-R1174 WeakPolarHBondContact OD2-CB 3.31Å; D1169-R1174 WeakPolarHBondContact OD2-CD 3.45Å; S1171-R1174 PolarHBondContact O-N 2.79Å |
| 1175 | I | 90.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -126.1 | 83.1 | 175.5 | -68.9 | 137.9 | 0 | 0 | 0 | 107.1 | R1118 M1134 V1138 L1141 L1170 S1171 D1177 I1181 | R1118-I1175 VanDerWaalsContact CZ-O 3.29Å; R1118-I1175 PolarHBondContact NH1-O 2.9Å; R1118-I1175 PolarHBondContact NH2-O 3.31Å; M1134-I1175 HydrophobicContact CG-CG2 4.05Å; M1134-I1175 HydrophobicContact SD-CB 4.24Å; M1134-I1175 HydrophobicContact SD-CG1 4.06Å; M1134-I1175 HydrophobicContact SD-CG2 3.97Å; V1138-I1175 HydrophobicContact CG2-CD1 3.77Å; V1138-I1175 HydrophobicContact CG2-CG1 3.87Å; V1138-I1175 HydrophobicContact CG2-CG2 3.82Å; L1141-I1175 HydrophobicContact CD2-CD1 4.41Å; L1170-I1175 HydrophobicContact CD2-CD1 3.69Å; S1171-I1175 PolarHBondContact O-N 3.4Å; I1175-D1177 VanDerWaalsContact C-N 3.3Å; I1175-D1177 PolarHBondContact O-N 2.77Å; I1175-I1181 HydrophobicContact CB-CD1 4.49Å; I1175-I1181 HydrophobicContact CG2-CD1 3.85Å; I1175-I1181 HydrophobicContact CG2-CG1 3.69Å | ||
| 1176 | P | 89.2 | Confident | 91.5 | Very high | 46 Ų | 46 | 34 Ų | 34 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | trans | -65.6 | -31.8 | -172.2 | 24.5 | -34 | 0 | 0 | 0 | 113 | R1118 M1134 A1172 | R1118-P1176 PolarHBondContact NH1-O 2.92Å; R1118-P1176 VanDerWaalsContact NH1-O 3.08Å; M1134-P1176 HydrophobicContact CE-CG 4.48Å; A1172-P1176 WeakPolarHBondContact O-CA 3.35Å | ||
| 1177 | D | 90 | Very high | 91.8 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | trans | -82.4 | 115.3 | 176.5 | 178.6 | 25.1 | 0 | 0 | 0 | 111.8 | G1130 S1131 M1134 I1175 H1179 A1180 | G1130-D1177 WeakPolarHBondContact CA-OD2 3.1Å; S1131-D1177 PolarHBondContact N-OD2 2.89Å; M1134-D1177 HydrophobicContact CG-CB 4.41Å; I1175-D1177 VanDerWaalsContact C-N 3.3Å; I1175-D1177 PolarHBondContact O-N 2.77Å; D1177-H1179 VanDerWaalsContact C-N 3.33Å; D1177-H1179 VanDerWaalsContact OD1-CB 3.28Å; D1177-H1179 WeakPolarHBondContact OD1-CB 3.25Å; D1177-H1179 IonicContact OD1-CD2 2.92Å; D1177-H1179 PolarHBondContact OD1-CD2 2.93Å; D1177-H1179 IonicContact OD1-CG 2.65Å; D1177-H1179 PolarHBondContact OD1-N 2.98Å; D1177-A1180 HydrophobicContact CB-CB 4.34Å; D1177-A1180 WeakPolarHBondContact OD2-CB 3.21Å; D1177-A1180 PolarHBondContact OD2-N 3.49Å; D1177-A1180 VanDerWaalsContact OD2-N 3.12Å | ||
| 1178 | I | 94.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.3 | -25.3 | 174.6 | -168.4 | 58.6 | 0 | 0 | 0 | 112.1 | I1115 R1118 V1122 A1180 I1181 T1182 | I1115-I1178 HydrophobicContact CG1-CD1 3.95Å; R1118-I1178 HydrophobicContact CG-CD1 4.22Å; V1122-I1178 HydrophobicContact CB-CG2 4.21Å; V1122-I1178 HydrophobicContact CG1-CG2 3.84Å; V1122-I1178 HydrophobicContact CG2-CG2 4.16Å; I1178-A1180 VanDerWaalsContact C-N 3.33Å; I1178-A1180 PolarHBondContact O-N 2.7Å; I1178-I1181 HydrophobicContact CD1-CB 4.32Å; I1178-I1181 HydrophobicContact CD1-CD1 4.09Å; I1178-I1181 PolarHBondContact O-N 2.9Å; I1178-I1181 VanDerWaalsContact O-N 3.15Å; I1178-T1182 PolarHBondContact O-N 3.1Å |
| 1179 | H | 94.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 23.3 Ų | 23.3 | 12% | 0.116 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.5 | -35.2 | -179.1 | -61.1 | -66 | 0 | 0 | 0 | 111.2 | D1177 I1181 T1182 A1183 | D1177-H1179 VanDerWaalsContact C-N 3.33Å; D1177-H1179 VanDerWaalsContact OD1-CB 3.28Å; D1177-H1179 WeakPolarHBondContact OD1-CB 3.25Å; D1177-H1179 IonicContact OD1-CD2 2.92Å; D1177-H1179 PolarHBondContact OD1-CD2 2.93Å; D1177-H1179 IonicContact OD1-CG 2.65Å; D1177-H1179 PolarHBondContact OD1-N 2.98Å; H1179-I1181 VanDerWaalsContact C-N 3.34Å; H1179-I1181 PolarHBondContact O-N 3.5Å; H1179-T1182 WeakPolarHBondContact CA-OG1 3.39Å; H1179-T1182 PolarHBondContact O-N 2.94Å; H1179-T1182 PolarHBondContact O-OG1 2.85Å; H1179-A1183 WeakPolarHBondContact O-CB 3.48Å; H1179-A1183 PolarHBondContact O-N 2.83Å |
| 1180 | A | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1134 D1177 I1178 A1183 V1184 | M1134-A1180 HydrophobicContact CB-CB 3.73Å; M1134-A1180 HydrophobicContact CG-CB 3.52Å; D1177-A1180 HydrophobicContact CB-CB 4.34Å; D1177-A1180 WeakPolarHBondContact OD2-CB 3.21Å; D1177-A1180 PolarHBondContact OD2-N 3.49Å; D1177-A1180 VanDerWaalsContact OD2-N 3.12Å; I1178-A1180 VanDerWaalsContact C-N 3.33Å; I1178-A1180 PolarHBondContact O-N 2.7Å; A1180-A1183 PolarHBondContact O-N 2.73Å; A1180-V1184 PolarHBondContact O-N 2.77Å |
| 1181 | I | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 174.8 | -58.4 | -178.1 | 0 | 0 | 0 | 110 | C1111 E1114 I1115 V1138 L1170 I1175 I1178 H1179 A1183 V1184 F1185 | C1111-I1181 HydrophobicContact CB-CG2 4.19Å; E1114-I1181 HydrophobicContact CG-CD1 4.24Å; I1115-I1181 HydrophobicContact CD1-CG2 4.22Å; I1115-I1181 HydrophobicContact CG1-CG2 4.28Å; V1138-I1181 HydrophobicContact CG2-CG1 4.33Å; L1170-I1181 HydrophobicContact CB-CD1 4.12Å; I1175-I1181 HydrophobicContact CB-CD1 4.49Å; I1175-I1181 HydrophobicContact CG2-CD1 3.85Å; I1175-I1181 HydrophobicContact CG2-CG1 3.69Å; I1178-I1181 HydrophobicContact CD1-CB 4.32Å; I1178-I1181 HydrophobicContact CD1-CD1 4.09Å; I1178-I1181 PolarHBondContact O-N 2.9Å; I1178-I1181 VanDerWaalsContact O-N 3.15Å; H1179-I1181 VanDerWaalsContact C-N 3.34Å; H1179-I1181 PolarHBondContact O-N 3.5Å; I1181-A1183 PolarHBondContact O-N 3.39Å; I1181-V1184 PolarHBondContact O-N 2.75Å; I1181-F1185 WeakPolarHBondContact O-CB 3.21Å; I1181-F1185 PolarHBondContact O-N 3.24Å |
| 1182 | T | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.8 | -27.7 | 176.1 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | I1115 V1125 Y1126 I1178 H1179 K1186 | I1115-T1182 HydrophobicContact CD1-CG2 3.85Å; I1115-T1182 HydrophobicContact CG1-CG2 4.14Å; V1125-T1182 HydrophobicContact CG2-CG2 3.87Å; Y1126-T1182 HydrophobicContact CD1-CG2 3.93Å; Y1126-T1182 HydrophobicContact CE1-CG2 3.89Å; Y1126-T1182 HydrophobicContact CG-CG2 4.3Å; I1178-T1182 PolarHBondContact O-N 3.1Å; H1179-T1182 WeakPolarHBondContact CA-OG1 3.39Å; H1179-T1182 PolarHBondContact O-N 2.94Å; H1179-T1182 PolarHBondContact O-OG1 2.85Å; T1182-K1186 WeakPolarHBondContact O-CG 3.21Å; T1182-K1186 PolarHBondContact O-N 3.13Å |
| 1183 | A | 93.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 21.7 Ų | 21.7 | 13% | 0.132 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.2 | -48.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1135 H1179 A1180 I1181 F1185 K1186 D1187 | K1135-A1183 HydrophobicContact CD-CB 4.17Å; K1135-A1183 HydrophobicContact CG-CB 4.21Å; H1179-A1183 WeakPolarHBondContact O-CB 3.48Å; H1179-A1183 PolarHBondContact O-N 2.83Å; A1180-A1183 PolarHBondContact O-N 2.73Å; I1181-A1183 PolarHBondContact O-N 3.39Å; A1183-F1185 PolarHBondContact O-N 2.88Å; A1183-K1186 PolarHBondContact O-N 2.95Å; A1183-K1186 VanDerWaalsContact O-N 3.14Å; A1183-D1187 PolarHBondContact O-N 2.67Å |
| 1184 | V | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.9 | -31.2 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | F1067 F1107 K1135 V1138 R1139 A1180 I1181 D1187 F1188 | F1067-V1184 HydrophobicContact CE1-CG1 3.83Å; F1067-V1184 HydrophobicContact CZ-CG1 3.66Å; F1107-V1184 HydrophobicContact CE2-CG1 3.91Å; F1107-V1184 HydrophobicContact CZ-CG1 3.95Å; K1135-V1184 HydrophobicContact CB-CG2 4.2Å; K1135-V1184 HydrophobicContact CG-CG2 3.44Å; K1135-V1184 VanDerWaalsContact CG-CG2 3.44Å; K1135-V1184 WeakPolarHBondContact O-CG2 3.49Å; V1138-V1184 HydrophobicContact CB-CG2 3.93Å; V1138-V1184 HydrophobicContact CG1-CB 4.04Å; V1138-V1184 HydrophobicContact CG1-CG1 4.17Å; V1138-V1184 HydrophobicContact CG1-CG2 3.92Å; R1139-V1184 HydrophobicContact CB-CG1 4.43Å; A1180-V1184 PolarHBondContact O-N 2.77Å; I1181-V1184 PolarHBondContact O-N 2.75Å; V1184-D1187 WeakPolarHBondContact O-CB 3.39Å; V1184-D1187 PolarHBondContact O-N 3.33Å; V1184-F1188 PolarHBondContact O-N 3.17Å |
| 1185 | F | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 172.5 | -172.9 | -93.7 | 0 | 0 | 0 | 112.7 | F1107 I1108 C1111 V1112 Y1126 I1181 A1183 F1188 L1189 L1242 F1246 | F1107-F1185 HydrophobicContact CE1-CD2 4.15Å; I1108-F1185 HydrophobicContact CG2-CE2 4.16Å; C1111-F1185 HydrophobicContact CB-CD2 3.84Å; V1112-F1185 HydrophobicContact CG2-CE2 4.32Å; Y1126-F1185 AromaticContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CD1 3.72Å; Y1126-F1185 HydrophobicContact CE1-CE1 4.35Å; Y1126-F1185 HydrophobicContact CE1-CG 4.48Å; I1181-F1185 WeakPolarHBondContact O-CB 3.21Å; I1181-F1185 PolarHBondContact O-N 3.24Å; A1183-F1185 PolarHBondContact O-N 2.88Å; F1185-F1188 PolarHBondContact O-N 2.86Å; F1185-L1189 HydrophobicContact CD1-CD1 4.09Å; F1185-L1189 HydrophobicContact CE1-CD1 3.47Å; F1185-L1189 VanDerWaalsContact CE1-CD1 3.47Å; F1185-L1189 HydrophobicContact CE1-CG 4.33Å; F1185-L1189 HydrophobicContact CZ-CD1 3.93Å; F1185-L1189 HydrophobicContact CZ-CG 4.49Å; F1185-L1189 PolarHBondContact O-N 3.14Å; F1185-L1242 HydrophobicContact CE2-CD2 4.31Å; F1185-L1242 HydrophobicContact CZ-CD1 3.91Å; F1185-L1242 HydrophobicContact CZ-CD2 3.6Å; F1185-L1242 HydrophobicContact CZ-CG 4.42Å; F1185-F1246 HydrophobicContact CE1-CZ 4.4Å |
| 1186 | K | 94.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 12.8 Ų | 12.8 | 6% | 0.061 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 172.4 | -73.8 | -168.3 | -57.2 | -174.4 | 0 | 112.3 | D953 Y1126 T1182 A1183 L1189 R1190 L1267 V1270 | D953-K1186 IonicContact OD2-NZ 3.54Å; D953-K1186 PolarHBondContact OD2-NZ 3.35Å; Y1126-K1186 HydrophobicContact CD1-CG 4.35Å; Y1126-K1186 PolarHBondContact O-NZ 2.89Å; T1182-K1186 WeakPolarHBondContact O-CG 3.21Å; T1182-K1186 PolarHBondContact O-N 3.13Å; A1183-K1186 PolarHBondContact O-N 2.95Å; A1183-K1186 VanDerWaalsContact O-N 3.14Å; K1186-L1189 PolarHBondContact O-N 3.11Å; K1186-R1190 WeakPolarHBondContact O-CB 2.97Å; K1186-R1190 PolarHBondContact O-N 3.13Å; K1186-L1267 HydrophobicContact CD-CD2 4.15Å; K1186-L1267 HydrophobicContact CG-CD2 4.15Å; K1186-V1270 HydrophobicContact CD-CG2 4.46Å; K1186-V1270 WeakPolarHBondContact O-CG1 3.24Å |
| 1187 | D | 91.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.7 | -51.7 | 172.9 | -82.5 | 21.3 | 0 | 0 | 0 | 111.6 | S1009 K1135 R1139 A1183 V1184 L1189 R1190 E1191 | S1009-D1187 WeakPolarHBondContact CB-OD2 3.38Å; S1009-D1187 PolarHBondContact OG-OD2 3.48Å; K1135-D1187 WeakPolarHBondContact CE-OD1 3.22Å; K1135-D1187 WeakPolarHBondContact CE-OD2 3.31Å; K1135-D1187 IonicContact NZ-OD1 3.66Å; K1135-D1187 PolarHBondContact NZ-OD1 2.99Å; K1135-D1187 IonicContact NZ-OD2 2.69Å; K1135-D1187 PolarHBondContact NZ-OD2 2.85Å; R1139-D1187 IonicContact NH1-OD2 2.73Å; A1183-D1187 PolarHBondContact O-N 2.67Å; V1184-D1187 WeakPolarHBondContact O-CB 3.39Å; V1184-D1187 PolarHBondContact O-N 3.33Å; D1187-L1189 PolarHBondContact O-N 2.84Å; D1187-R1190 WeakPolarHBondContact O-CB 3.25Å; D1187-R1190 PolarHBondContact O-N 2.93Å; D1187-R1190 VanDerWaalsContact O-N 3.12Å; D1187-R1190 IonicContact OD1-CZ 2.68Å; D1187-R1190 IonicContact OD1-NH1 2.61Å; D1187-R1190 IonicContact OD1-NH2 2.74Å; D1187-R1190 PolarHBondContact OD1-NH2 2.83Å; D1187-R1190 IonicContact OD2-NH2 3.43Å; D1187-E1191 WeakPolarHBondContact O-CB 3.48Å; D1187-E1191 WeakPolarHBondContact O-CG 3.3Å; D1187-E1191 PolarHBondContact O-N 3.42Å |
| 1188 | F | 93.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.018 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -53.6 | -50.9 | -179.8 | 174.3 | -94.1 | 0 | 0 | 0 | 111.7 | L1066 F1067 L1074 F1107 I1108 V1184 F1185 R1190 E1191 L1192 | L1066-F1188 HydrophobicContact CD1-CE2 4.25Å; F1067-F1188 HydrophobicContact CD1-CB 4.06Å; F1067-F1188 HydrophobicContact CD1-CD2 4.18Å; F1067-F1188 HydrophobicContact CE1-CB 3.83Å; F1067-F1188 HydrophobicContact CE1-CD2 4.29Å; L1074-F1188 HydrophobicContact CD1-CE2 3.67Å; L1074-F1188 HydrophobicContact CD1-CZ 3.57Å; F1107-F1188 HydrophobicContact CD1-CB 4.19Å; F1107-F1188 HydrophobicContact CD1-CD1 4.03Å; F1107-F1188 AromaticContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CD2 3.74Å; F1107-F1188 HydrophobicContact CD1-CE1 4.39Å; F1107-F1188 HydrophobicContact CD1-CE2 4.11Å; F1107-F1188 AromaticContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CG 3.7Å; F1107-F1188 HydrophobicContact CD1-CZ 4.43Å; F1107-F1188 HydrophobicContact CE1-CB 3.37Å; F1107-F1188 AromaticContact CE1-CD1 3.84Å; F1107-F1188 HydrophobicContact CE1-CD1 3.84Å; F1107-F1188 AromaticContact CE1-CD2 3.81Å; F1107-F1188 HydrophobicContact CE1-CD2 3.81Å; F1107-F1188 AromaticContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CE1-CG 3.38Å; F1107-F1188 HydrophobicContact CZ-CB 3.85Å; F1107-F1188 HydrophobicContact CZ-CG 4.27Å; I1108-F1188 HydrophobicContact CD1-CE1 3.7Å; I1108-F1188 HydrophobicContact CD1-CZ 4.19Å; I1108-F1188 HydrophobicContact CG1-CD1 4.39Å; I1108-F1188 HydrophobicContact CG1-CE1 3.82Å; I1108-F1188 HydrophobicContact CG1-CZ 4.29Å; V1184-F1188 PolarHBondContact O-N 3.17Å; F1185-F1188 PolarHBondContact O-N 2.86Å; F1188-R1190 PolarHBondContact O-N 3.36Å; F1188-E1191 PolarHBondContact O-N 3.45Å; F1188-L1192 HydrophobicContact CE1-CD2 4.15Å; F1188-L1192 HydrophobicContact CE2-CD2 4.5Å; F1188-L1192 HydrophobicContact CZ-CD2 4Å; F1188-L1192 WeakPolarHBondContact O-CG 3.45Å; F1188-L1192 PolarHBondContact O-N 2.95Å |
| 1189 | L | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.8 | -31.3 | 179.4 | -65.1 | 176.5 | 0 | 0 | 0 | 113.3 | R1047 F1185 K1186 D1187 L1192 L1242 V1270 L1271 | R1047-L1189 PolarHBondContact NH1-O 2.93Å; F1185-L1189 HydrophobicContact CD1-CD1 4.09Å; F1185-L1189 HydrophobicContact CE1-CD1 3.47Å; F1185-L1189 VanDerWaalsContact CE1-CD1 3.47Å; F1185-L1189 HydrophobicContact CE1-CG 4.33Å; F1185-L1189 HydrophobicContact CZ-CD1 3.93Å; F1185-L1189 HydrophobicContact CZ-CG 4.49Å; F1185-L1189 PolarHBondContact O-N 3.14Å; K1186-L1189 PolarHBondContact O-N 3.11Å; D1187-L1189 PolarHBondContact O-N 2.84Å; L1189-L1192 HydrophobicContact CD2-CD1 4.08Å; L1189-L1242 HydrophobicContact CD2-CD1 4.48Å; L1189-V1270 HydrophobicContact CB-CG1 3.56Å; L1189-L1271 HydrophobicContact CD1-CD2 4.04Å |
| 1190 | R | 90.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 12.7 Ų | 12.7 | 5% | 0.049 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | 172.8 | 174.8 | 172.1 | 71.1 | -125.7 | -1.5 | 112.1 | S1009 F1045 R1047 K1186 D1187 F1188 V1270 | S1009-R1190 PolarHBondContact OG-NH2 2.93Å; F1045-R1190 HydrophobicContact CD1-CG 3.87Å; F1045-R1190 HydrophobicContact CE1-CB 4.03Å; F1045-R1190 HydrophobicContact CE1-CG 3.6Å; F1045-R1190 HydrophobicContact CZ-CG 4.37Å; R1047-R1190 PolarHBondContact NH1-O 2.91Å; R1047-R1190 VanDerWaalsContact NH1-O 3.14Å; K1186-R1190 WeakPolarHBondContact O-CB 2.97Å; K1186-R1190 PolarHBondContact O-N 3.13Å; D1187-R1190 WeakPolarHBondContact O-CB 3.25Å; D1187-R1190 PolarHBondContact O-N 2.93Å; D1187-R1190 VanDerWaalsContact O-N 3.12Å; D1187-R1190 IonicContact OD1-CZ 2.68Å; D1187-R1190 IonicContact OD1-NH1 2.61Å; D1187-R1190 IonicContact OD1-NH2 2.74Å; D1187-R1190 PolarHBondContact OD1-NH2 2.83Å; D1187-R1190 IonicContact OD2-NH2 3.43Å; F1188-R1190 PolarHBondContact O-N 3.36Å; R1190-V1270 HydrophobicContact CB-CG1 4.26Å |
| 1191 | E | 87.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 13.5 Ų | 13.5 | 10% | 0.098 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -83.5 | -15.7 | -174.1 | -78.8 | 175.2 | -115.9 | 0 | 0 | 114.8 | L1008 S1009 F1067 G1068 R1139 D1187 F1188 | L1008-E1191 WeakPolarHBondContact O-CG 3.48Å; S1009-E1191 WeakPolarHBondContact CB-OE1 3.39Å; S1009-E1191 PolarHBondContact N-OE1 2.7Å; S1009-E1191 PolarHBondContact N-OE2 2.85Å; S1009-E1191 VanDerWaalsContact N-OE2 3.08Å; S1009-E1191 PolarHBondContact OG-OE1 2.69Å; F1067-E1191 WeakPolarHBondContact CB-OE2 3.42Å; G1068-E1191 WeakPolarHBondContact CA-O 3.36Å; R1139-E1191 IonicContact CZ-OE1 2.71Å; R1139-E1191 IonicContact CZ-OE2 2.73Å; R1139-E1191 IonicContact NH1-OE1 3.81Å; R1139-E1191 PolarHBondContact NH1-OE1 3.04Å; R1139-E1191 IonicContact NH1-OE2 3.55Å; R1139-E1191 PolarHBondContact NH1-OE2 2.75Å; R1139-E1191 IonicContact NH2-OE1 3.6Å; R1139-E1191 IonicContact NH2-OE2 3.54Å; R1139-E1191 PolarHBondContact NH2-OE2 3.45Å; D1187-E1191 WeakPolarHBondContact O-CB 3.48Å; D1187-E1191 WeakPolarHBondContact O-CG 3.3Å; D1187-E1191 PolarHBondContact O-N 3.42Å; F1188-E1191 PolarHBondContact O-N 3.45Å |
| 1192 | L | 89.9 | Confident | 92.1 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -53.2 | 137 | 175.5 | -64.9 | 175.2 | 0 | 0 | 0 | 111.4 | R1047 I1071 F1188 L1189 E1194 | R1047-L1192 VanDerWaalsContact CD-O 3.24Å; R1047-L1192 WeakPolarHBondContact CD-O 3.4Å; R1047-L1192 WeakPolarHBondContact CG-O 3.29Å; R1047-L1192 PolarHBondContact NH1-O 2.88Å; I1071-L1192 HydrophobicContact CD1-CD1 4.06Å; I1071-L1192 HydrophobicContact CG1-CD1 4.12Å; I1071-L1192 HydrophobicContact CG1-CD2 4.16Å; F1188-L1192 HydrophobicContact CE1-CD2 4.15Å; F1188-L1192 HydrophobicContact CE2-CD2 4.5Å; F1188-L1192 HydrophobicContact CZ-CD2 4Å; F1188-L1192 WeakPolarHBondContact O-CG 3.45Å; F1188-L1192 PolarHBondContact O-N 2.95Å; L1189-L1192 HydrophobicContact CD2-CD1 4.08Å; L1192-E1194 VanDerWaalsContact CB-O 3.24Å; L1192-E1194 WeakPolarHBondContact CB-O 3.35Å; L1192-E1194 PolarHBondContact O-N 2.89Å |
| 1193 | P | 87.9 | Confident | 91.8 | Very high | 29 Ų | 29 | 14.9 Ų | 14.9 | 19% | 0.188 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -56.9 | -19.1 | 177.9 | -27.9 | 35.6 | 0 | 0 | 0 | 115.4 | Q1049 V1069 | Q1049-P1193 WeakPolarHBondContact CG-O 3.42Å; Q1049-P1193 PolarHBondContact NE2-O 3.28Å; Q1049-P1193 VanDerWaalsContact NE2-O 3.11Å; V1069-P1193 VanDerWaalsContact O-CD 3.29Å; V1069-P1193 WeakPolarHBondContact O-CD 3.37Å |
| 1194 | E | 88.8 | Confident | 91.7 | Very high | 67 Ų | 67 | 18.4 Ų | 18.4 | 31% | 0.313 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -135.1 | 145.7 | 169 | -163.7 | 178.3 | -160.3 | 0 | 0 | 109.7 | L1192 T1198 S1199 | L1192-E1194 VanDerWaalsContact CB-O 3.24Å; L1192-E1194 WeakPolarHBondContact CB-O 3.35Å; L1192-E1194 PolarHBondContact O-N 2.89Å; E1194-T1198 WeakPolarHBondContact OE1-CA 3.4Å; E1194-T1198 VanDerWaalsContact OE1-CB 3.32Å; E1194-T1198 WeakPolarHBondContact OE1-CB 3.4Å; E1194-S1199 PolarHBondContact OE1-N 3.33Å |
| 1195 | P | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -55.2 | 149.2 | 165.6 | 24.4 | -36.7 | 0 | 0 | 0 | 112.1 | F1197 T1198 S1199 L1271 | P1195-F1197 VanDerWaalsContact C-N 3.26Å; P1195-F1197 PolarHBondContact O-N 3.48Å; P1195-T1198 WeakPolarHBondContact O-CA 3.47Å; P1195-T1198 PolarHBondContact O-N 3.49Å; P1195-S1199 WeakPolarHBondContact CD-OG 3.22Å; P1195-L1271 WeakPolarHBondContact CB-O 3.16Å | ||
| 1196 | L | 93.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -35.5 | -177.3 | -177 | 61.1 | 0 | 0 | 0 | 112.8 | I1071 T1198 N1235 I1238 L1239 L1242 L1271 | I1071-L1196 HydrophobicContact CD1-CD1 3.63Å; L1196-T1198 PolarHBondContact O-N 3.1Å; L1196-N1235 HydrophobicContact CD1-CB 4.16Å; L1196-N1235 PolarHBondContact O-ND2 3.48Å; L1196-N1235 VanDerWaalsContact O-ND2 3.12Å; L1196-I1238 HydrophobicContact CD1-CB 4.27Å; L1196-I1238 HydrophobicContact CD1-CG2 4.06Å; L1196-I1238 HydrophobicContact CD2-CG2 4.2Å; L1196-L1239 HydrophobicContact CD2-CB 4.11Å; L1196-L1239 HydrophobicContact CD2-CD1 3.84Å; L1196-L1239 HydrophobicContact CG-CB 4.24Å; L1196-L1239 HydrophobicContact CG-CD1 4.33Å; L1196-L1242 HydrophobicContact CD2-CD1 3.93Å; L1196-L1271 HydrophobicContact CB-CD2 4.29Å; L1196-L1271 HydrophobicContact CD2-CD2 4.08Å |
| 1197 | F | 93 | Very high | 91 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 1.3 | 174.2 | -81.2 | -92.8 | 0 | 0 | 0 | 114.7 | P1195 F1205 L1228 L1239 L1271 F1272 F1296 I1299 | P1195-F1197 VanDerWaalsContact C-N 3.26Å; P1195-F1197 PolarHBondContact O-N 3.48Å; F1197-F1205 HydrophobicContact CD1-CD2 4.34Å; F1197-F1205 AromaticContact CD1-CE2 3.69Å; F1197-F1205 HydrophobicContact CD1-CE2 3.69Å; F1197-F1205 AromaticContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CE1-CE2 4.46Å; F1197-F1205 HydrophobicContact CE1-CZ 4.16Å; F1197-L1228 HydrophobicContact CD1-CD2 4.43Å; F1197-L1228 HydrophobicContact CE1-CD2 3.79Å; F1197-L1239 HydrophobicContact CD1-CD2 4.08Å; F1197-L1239 HydrophobicContact CD2-CD1 4.31Å; F1197-L1239 HydrophobicContact CE1-CD1 4.46Å; F1197-L1239 HydrophobicContact CE1-CD2 3.7Å; F1197-L1239 HydrophobicContact CE2-CD1 3.58Å; F1197-L1239 HydrophobicContact CE2-CD2 4.18Å; F1197-L1239 HydrophobicContact CG-CD2 4.5Å; F1197-L1239 HydrophobicContact CZ-CD1 3.68Å; F1197-L1239 HydrophobicContact CZ-CD2 3.76Å; F1197-L1239 HydrophobicContact CZ-CG 4.34Å; F1197-L1271 HydrophobicContact CD2-CB 3.92Å; F1197-L1271 HydrophobicContact CE2-CB 4.04Å; F1197-L1271 HydrophobicContact CE2-CD1 4.33Å; F1197-L1271 PolarHBondContact N-O 2.81Å; F1197-F1272 HydrophobicContact CB-CD1 3.69Å; F1197-F1272 HydrophobicContact CB-CE1 3.61Å; F1197-F1272 HydrophobicContact CB-CG 4.43Å; F1197-F1272 HydrophobicContact CB-CZ 4.25Å; F1197-F1272 HydrophobicContact CD1-CD1 4.33Å; F1197-F1272 AromaticContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE2 4.36Å; F1197-F1272 AromaticContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD1-CZ 3.42Å; F1197-F1272 VanDerWaalsContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD2-CD1 4.28Å; F1197-F1272 HydrophobicContact CD2-CD2 4.24Å; F1197-F1272 AromaticContact CD2-CE1 3.93Å; F1197-F1272 HydrophobicContact CD2-CE1 3.93Å; F1197-F1272 AromaticContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CG 4.45Å; F1197-F1272 AromaticContact CD2-CZ 3.68Å; F1197-F1272 HydrophobicContact CD2-CZ 3.68Å; F1197-F1272 AromaticContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE2 4.29Å; F1197-F1272 AromaticContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE1-CZ 3.47Å; F1197-F1272 VanDerWaalsContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE2-CD2 4.49Å; F1197-F1272 HydrophobicContact CE2-CE1 4.43Å; F1197-F1272 AromaticContact CE2-CE2 3.75Å; F1197-F1272 HydrophobicContact CE2-CE2 3.75Å; F1197-F1272 AromaticContact CE2-CZ 3.73Å; F1197-F1272 HydrophobicContact CE2-CZ 3.73Å; F1197-F1272 AromaticContact CG-CD1 3.86Å; F1197-F1272 HydrophobicContact CG-CD1 3.86Å; F1197-F1272 AromaticContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE2 4.12Å; F1197-F1272 HydrophobicContact CG-CG 4.46Å; F1197-F1272 AromaticContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CZ-CE1 4.43Å; F1197-F1272 AromaticContact CZ-CE2 3.99Å; F1197-F1272 HydrophobicContact CZ-CE2 3.99Å; F1197-F1272 AromaticContact CZ-CZ 3.62Å; F1197-F1272 HydrophobicContact CZ-CZ 3.62Å; F1197-F1296 HydrophobicContact CE2-CD2 4.04Å; F1197-F1296 AromaticContact CE2-CE2 3.94Å; F1197-F1296 HydrophobicContact CE2-CE2 3.94Å; F1197-F1296 AromaticContact CZ-CD2 3.92Å; F1197-F1296 HydrophobicContact CZ-CD2 3.92Å; F1197-F1296 AromaticContact CZ-CE2 3.92Å; F1197-F1296 HydrophobicContact CZ-CE2 3.92Å; F1197-I1299 HydrophobicContact CE1-CD1 3.76Å; F1197-I1299 HydrophobicContact CZ-CD1 4.11Å |
| 1198 | T | 92.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | trans | 63 | 151.2 | -169.4 | 75.2 | 0 | 0 | 0 | 0 | 114.6 | E1194 P1195 L1196 A1200 L1201 L1231 P1232 | E1194-T1198 WeakPolarHBondContact OE1-CA 3.4Å; E1194-T1198 VanDerWaalsContact OE1-CB 3.32Å; E1194-T1198 WeakPolarHBondContact OE1-CB 3.4Å; P1195-T1198 WeakPolarHBondContact O-CA 3.47Å; P1195-T1198 PolarHBondContact O-N 3.49Å; L1196-T1198 PolarHBondContact O-N 3.1Å; T1198-A1200 VanDerWaalsContact C-N 3.26Å; T1198-L1201 WeakPolarHBondContact OG1-CB 3.33Å; T1198-L1201 VanDerWaalsContact OG1-CG 3.3Å; T1198-L1201 WeakPolarHBondContact OG1-CG 3.32Å; T1198-L1201 PolarHBondContact OG1-N 3.33Å; T1198-L1201 VanDerWaalsContact OG1-N 3.15Å; T1198-L1231 HydrophobicContact CG2-CD2 3.91Å; T1198-P1232 HydrophobicContact CG2-CG 4Å | ||
| 1199 | S | 90.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 25.3 Ų | 25.3 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.2 | 173.8 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | E1194 P1195 | E1194-S1199 PolarHBondContact OE1-N 3.33Å; P1195-S1199 WeakPolarHBondContact CD-OG 3.22Å |
| 1200 | A | 89.1 | Confident | 89.7 | Confident | 73 Ų | 73 | 30.7 Ų | 30.7 | 60% | 0.603 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -37.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1198 | T1198-A1200 VanDerWaalsContact C-N 3.26Š|
| 1201 | L | 92.1 | Very high | 89 | Confident | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -21 | -179.7 | -57.8 | -178.4 | 0 | 0 | 0 | 113.5 | T1198 M1204 F1205 I1227 C1230 L1231 | T1198-L1201 WeakPolarHBondContact OG1-CB 3.33Å; T1198-L1201 VanDerWaalsContact OG1-CG 3.3Å; T1198-L1201 WeakPolarHBondContact OG1-CG 3.32Å; T1198-L1201 PolarHBondContact OG1-N 3.33Å; T1198-L1201 VanDerWaalsContact OG1-N 3.15Å; L1201-M1204 HydrophobicContact CD2-CE 3.35Å; L1201-M1204 HydrophobicContact CG-CE 4.49Å; L1201-M1204 WeakPolarHBondContact O-CB 3.2Å; L1201-M1204 PolarHBondContact O-N 2.74Å; L1201-F1205 HydrophobicContact CB-CD2 4.08Å; L1201-F1205 HydrophobicContact CB-CE2 3.77Å; L1201-F1205 HydrophobicContact CD1-CE2 4.44Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.48Å; L1201-F1205 PolarHBondContact O-N 2.9Å; L1201-I1227 HydrophobicContact CB-CG2 4.1Å; L1201-I1227 HydrophobicContact CD1-CG2 4.28Å; L1201-I1227 HydrophobicContact CD2-CG2 4.44Å; L1201-C1230 HydrophobicContact CD2-CB 4.35Å; L1201-L1231 HydrophobicContact CD1-CB 4.45Å; L1201-L1231 HydrophobicContact CD1-CD2 3.59Å; L1201-L1231 HydrophobicContact CD1-CG 3.73Å |
| 1202 | Y | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.1 | -44.6 | -176.5 | 170.2 | -119.8 | 0 | 0 | 0 | 114.9 | M1204 F1205 Y1206 F1272 P1274 L1282 I1286 L1287 M1292 I1295 | Y1202-M1204 VanDerWaalsContact C-N 3.32Å; Y1202-M1204 PolarHBondContact O-N 2.87Å; Y1202-F1205 PolarHBondContact O-N 3.29Å; Y1202-Y1206 PolarHBondContact O-N 3.45Å; Y1202-Y1206 VanDerWaalsContact O-N 3.11Å; Y1202-F1272 HydrophobicContact CD2-CB 4.07Å; Y1202-F1272 AromaticContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CE1 4.37Å; Y1202-F1272 HydrophobicContact CD2-CG 4.15Å; Y1202-F1272 HydrophobicContact CE2-CB 4.2Å; Y1202-F1272 HydrophobicContact CE2-CD1 4.22Å; Y1202-F1272 HydrophobicContact CE2-CG 4.44Å; Y1202-F1272 HydrophobicContact CG-CD1 4.4Å; Y1202-P1274 HydrophobicContact CD1-CG 4.39Å; Y1202-L1282 HydrophobicContact CD1-CD1 4.18Å; Y1202-L1282 HydrophobicContact CE1-CD1 4.41Å; Y1202-I1286 HydrophobicContact CE1-CG2 3.97Å; Y1202-I1286 PolarHBondContact OH-O 3.17Å; Y1202-L1287 HydrophobicContact CE1-CD2 4Å; Y1202-M1292 HydrophobicContact CE1-CE 4.07Å; Y1202-M1292 HydrophobicContact CE2-CE 4.37Å; Y1202-M1292 HydrophobicContact CE2-CG 3.99Å; Y1202-M1292 VanDerWaalsContact OH-CE 3.25Å; Y1202-M1292 WeakPolarHBondContact OH-CE 3.36Å; Y1202-M1292 WeakPolarHBondContact OH-CG 3.46Å; Y1202-I1295 HydrophobicContact CD2-CD1 4.34Å; Y1202-I1295 HydrophobicContact CE2-CD1 3.75Å |
| 1203 | P | 91 | Very high | 86.4 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 20% | 0.201 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -38.8 | 174.6 | -24.2 | 35.9 | 0 | 0 | 0 | 113 | F1205 Y1206 D1207 L1282 | P1203-F1205 PolarHBondContact O-N 2.9Å; P1203-Y1206 WeakPolarHBondContact O-CB 3.47Å; P1203-Y1206 PolarHBondContact O-N 2.73Å; P1203-Y1206 VanDerWaalsContact O-N 3.16Å; P1203-D1207 PolarHBondContact O-N 3.12Å; P1203-L1282 HydrophobicContact CB-CD2 4.49Å; P1203-L1282 HydrophobicContact CG-CD1 4.34Å; P1203-L1282 HydrophobicContact CG-CD2 3.65Å |
| 1204 | M | 91 | Very high | 85 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.1 | -32 | 177.9 | -67.5 | -174.5 | -73.9 | 0 | 0 | 112.5 | L1201 Y1202 A1208 I1227 | L1201-M1204 HydrophobicContact CD2-CE 3.35Å; L1201-M1204 HydrophobicContact CG-CE 4.49Å; L1201-M1204 WeakPolarHBondContact O-CB 3.2Å; L1201-M1204 PolarHBondContact O-N 2.74Å; Y1202-M1204 VanDerWaalsContact C-N 3.32Å; Y1202-M1204 PolarHBondContact O-N 2.87Å; M1204-A1208 WeakPolarHBondContact O-CB 3.34Å; M1204-A1208 PolarHBondContact O-N 2.9Å; M1204-I1227 HydrophobicContact CB-CD1 4.06Å; M1204-I1227 WeakPolarHBondContact O-CD1 3.41Å |
| 1205 | F | 91.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 169.8 | -76.3 | -69.3 | 0 | 0 | 0 | 112.2 | F1197 L1201 Y1202 P1203 M1209 V1224 I1227 L1228 F1272 I1295 I1299 | F1197-F1205 HydrophobicContact CD1-CD2 4.34Å; F1197-F1205 AromaticContact CD1-CE2 3.69Å; F1197-F1205 HydrophobicContact CD1-CE2 3.69Å; F1197-F1205 AromaticContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CD1-CZ 3.81Å; F1197-F1205 HydrophobicContact CE1-CE2 4.46Å; F1197-F1205 HydrophobicContact CE1-CZ 4.16Å; L1201-F1205 HydrophobicContact CB-CD2 4.08Å; L1201-F1205 HydrophobicContact CB-CE2 3.77Å; L1201-F1205 HydrophobicContact CD1-CE2 4.44Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.48Å; L1201-F1205 PolarHBondContact O-N 2.9Å; Y1202-F1205 PolarHBondContact O-N 3.29Å; P1203-F1205 PolarHBondContact O-N 2.9Å; F1205-M1209 WeakPolarHBondContact O-CG 2.89Å; F1205-M1209 PolarHBondContact O-N 3.31Å; F1205-M1209 VanDerWaalsContact O-N 3.16Å; F1205-V1224 HydrophobicContact CD1-CG1 4.19Å; F1205-V1224 HydrophobicContact CE1-CG1 4.12Å; F1205-I1227 HydrophobicContact CD1-CB 4.39Å; F1205-I1227 HydrophobicContact CD1-CG2 4.09Å; F1205-I1227 HydrophobicContact CD2-CG2 3.96Å; F1205-I1227 HydrophobicContact CE1-CB 3.93Å; F1205-I1227 HydrophobicContact CE1-CG2 3.72Å; F1205-I1227 HydrophobicContact CE2-CG2 3.58Å; F1205-I1227 HydrophobicContact CG-CG2 4.2Å; F1205-I1227 HydrophobicContact CZ-CB 4.07Å; F1205-I1227 HydrophobicContact CZ-CG2 3.46Å; F1205-I1227 VanDerWaalsContact CZ-CG2 3.46Å; F1205-L1228 HydrophobicContact CE1-CD2 4.31Å; F1205-L1228 HydrophobicContact CE1-CG 4.07Å; F1205-L1228 HydrophobicContact CZ-CD2 4.01Å; F1205-L1228 HydrophobicContact CZ-CG 4.1Å; F1205-F1272 HydrophobicContact CB-CE1 4.49Å; F1205-F1272 HydrophobicContact CD2-CE1 4.04Å; F1205-F1272 HydrophobicContact CG-CE1 4.28Å; F1205-I1295 HydrophobicContact CB-CG2 3.9Å; F1205-I1295 HydrophobicContact CG-CG2 4.5Å; F1205-I1299 HydrophobicContact CD1-CD1 4.28Å; F1205-I1299 HydrophobicContact CE1-CD1 4.28Å |
| 1206 | Y | 90 | Very high | 81.6 | Confident | 44 Ų | 44 | 51 Ų | 51 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 175.2 | -179.4 | -100.3 | 0 | 0 | 0 | 111.9 | Y1202 P1203 M1209 Q1210 I1286 K1291 I1295 | Y1202-Y1206 PolarHBondContact O-N 3.45Å; Y1202-Y1206 VanDerWaalsContact O-N 3.11Å; P1203-Y1206 WeakPolarHBondContact O-CB 3.47Å; P1203-Y1206 PolarHBondContact O-N 2.73Å; P1203-Y1206 VanDerWaalsContact O-N 3.16Å; Y1206-M1209 PolarHBondContact O-N 2.78Å; Y1206-Q1210 HydrophobicContact CD1-CG 4.47Å; Y1206-Q1210 VanDerWaalsContact CD1-NE2 3.29Å; Y1206-Q1210 HydrophobicContact CE1-CG 4.13Å; Y1206-Q1210 PolarHBondContact O-N 3.47Å; Y1206-I1286 HydrophobicContact CD1-CD1 3.98Å; Y1206-I1286 HydrophobicContact CD1-CG1 4Å; Y1206-I1286 HydrophobicContact CD1-CG2 3.95Å; Y1206-I1286 HydrophobicContact CD2-CG2 3.91Å; Y1206-I1286 HydrophobicContact CE1-CD1 3.95Å; Y1206-I1286 HydrophobicContact CE1-CG1 3.66Å; Y1206-I1286 HydrophobicContact CE1-CG2 4.31Å; Y1206-I1286 HydrophobicContact CE2-CG2 4.27Å; Y1206-I1286 HydrophobicContact CG-CG2 3.74Å; Y1206-K1291 HydrophobicContact CD2-CB 4.42Å; Y1206-K1291 HydrophobicContact CE2-CB 4.14Å; Y1206-K1291 HydrophobicContact CE2-CD 4.45Å; Y1206-K1291 HydrophobicContact CE2-CG 4.13Å; Y1206-I1295 HydrophobicContact CD2-CD1 4.27Å |
| 1207 | D | 88.3 | Confident | 80.3 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176.2 | -68.6 | -20.7 | 0 | 0 | 0 | 112.4 | P1203 M1209 Q1210 I1211 | P1203-D1207 PolarHBondContact O-N 3.12Å; D1207-M1209 PolarHBondContact O-N 3.36Å; D1207-Q1210 PolarHBondContact O-N 2.7Å; D1207-Q1210 PolarHBondContact OD1-NE2 3.25Å; D1207-I1211 WeakPolarHBondContact O-CD1 3.42Å; D1207-I1211 VanDerWaalsContact O-CG1 3.31Å; D1207-I1211 WeakPolarHBondContact O-CG1 3.22Å; D1207-I1211 PolarHBondContact O-N 3.4Å |
| 1208 | A | 87 | Confident | 79.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.2 | -32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1204 A1212 L1223 V1224 I1227 | M1204-A1208 WeakPolarHBondContact O-CB 3.34Å; M1204-A1208 PolarHBondContact O-N 2.9Å; A1208-A1212 PolarHBondContact O-N 3.01Å; A1208-L1223 HydrophobicContact CB-CB 4.45Å; A1208-L1223 HydrophobicContact CB-CD2 3.61Å; A1208-L1223 HydrophobicContact CB-CG 3.73Å; A1208-V1224 HydrophobicContact CB-CG2 3.8Å; A1208-I1227 HydrophobicContact CB-CD1 3.8Å |
| 1209 | M | 83.7 | Confident | 78.3 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -76.7 | -34.4 | 175.6 | -79.6 | -97.7 | 64.2 | 0 | 0 | 113.4 | F1205 Y1206 D1207 I1211 A1212 I1295 F1298 | F1205-M1209 WeakPolarHBondContact O-CG 2.89Å; F1205-M1209 PolarHBondContact O-N 3.31Å; F1205-M1209 VanDerWaalsContact O-N 3.16Å; Y1206-M1209 PolarHBondContact O-N 2.78Å; D1207-M1209 PolarHBondContact O-N 3.36Å; M1209-I1211 VanDerWaalsContact C-N 3.26Å; M1209-I1211 PolarHBondContact O-N 2.87Å; M1209-A1212 HydrophobicContact CE-CB 3.57Å; M1209-A1212 WeakPolarHBondContact O-CB 3.33Å; M1209-A1212 PolarHBondContact O-N 2.87Å; M1209-I1295 HydrophobicContact CB-CG1 4.42Å; M1209-I1295 HydrophobicContact CG-CB 4.46Å; M1209-I1295 HydrophobicContact CG-CG1 3.97Å; M1209-F1298 HydrophobicContact CE-CB 3.8Å; M1209-F1298 HydrophobicContact CE-CD1 3.48Å; M1209-F1298 VanDerWaalsContact CE-CD1 3.48Å; M1209-F1298 HydrophobicContact CE-CD2 3.73Å; M1209-F1298 HydrophobicContact CE-CE1 3.9Å; M1209-F1298 HydrophobicContact CE-CE2 4.12Å; M1209-F1298 HydrophobicContact CE-CG 3.38Å; M1209-F1298 HydrophobicContact CE-CZ 4.19Å; M1209-F1298 HydrophobicContact SD-CB 3.35Å; M1209-F1298 WeakPolarHBondContact SD-CB 3.41Å; M1209-F1298 HydrophobicContact SD-CD1 3.69Å; M1209-F1298 HydrophobicContact SD-CD2 4.44Å; M1209-F1298 HydrophobicContact SD-CG 3.59Å; M1209-F1298 VanDerWaalsContact SD-CG 3.59Å |
| 1210 | Q | 80.5 | Confident | 77.7 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -33.6 | 170 | -68.2 | 177.8 | 92.3 | 0 | 0 | 112.1 | Y1206 D1207 A1212 | Y1206-Q1210 HydrophobicContact CD1-CG 4.47Å; Y1206-Q1210 VanDerWaalsContact CD1-NE2 3.29Å; Y1206-Q1210 HydrophobicContact CE1-CG 4.13Å; Y1206-Q1210 PolarHBondContact O-N 3.47Å; D1207-Q1210 PolarHBondContact O-N 2.7Å; D1207-Q1210 PolarHBondContact OD1-NE2 3.25Å; Q1210-A1212 VanDerWaalsContact C-N 3.32Å |
| 1211 | I | 75.7 | Confident | 77.4 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -76.8 | -17 | 178.1 | -65.4 | 163.8 | 0 | 0 | 0 | 112.3 | D1207 M1209 L1213 L1223 | D1207-I1211 WeakPolarHBondContact O-CD1 3.42Å; D1207-I1211 VanDerWaalsContact O-CG1 3.31Å; D1207-I1211 WeakPolarHBondContact O-CG1 3.22Å; D1207-I1211 PolarHBondContact O-N 3.4Å; M1209-I1211 VanDerWaalsContact C-N 3.26Å; M1209-I1211 PolarHBondContact O-N 2.87Å; I1211-L1213 PolarHBondContact O-N 3.38Å; I1211-L1223 HydrophobicContact CD1-CD2 4.31Å |
| 1212 | A | 68.2 | Low | 77.1 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | trans | -76.2 | 62.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1208 M1209 Q1210 | A1208-A1212 PolarHBondContact O-N 3.01Å; M1209-A1212 HydrophobicContact CE-CB 3.57Å; M1209-A1212 WeakPolarHBondContact O-CB 3.33Å; M1209-A1212 PolarHBondContact O-N 2.87Å; Q1210-A1212 VanDerWaalsContact C-N 3.32Å | ||
| 1213 | L | 55.8 | Low | 76.8 | Confident | 103 Ų | 103 | 71 Ų | 71 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | trans | -53.5 | 140.6 | 179 | -72.3 | 166.5 | 0 | 0 | 0 | 112.5 | I1211 G1215 F1216 | I1211-L1213 PolarHBondContact O-N 3.38Å; L1213-G1215 PolarHBondContact O-N 2.79Å; L1213-G1215 VanDerWaalsContact O-N 3.1Å; L1213-F1216 HydrophobicContact CB-CB 4.43Å; L1213-F1216 HydrophobicContact CB-CD2 4.17Å; L1213-F1216 PolarHBondContact O-N 2.83Å | ||
| 1214 | P | 57.2 | Low | 76.7 | Confident | 129 Ų | 129 | 69.6 Ų | 69.6 | 84% | 0.838 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 117.6 | 172.7 | -26 | 34.9 | 0 | 0 | 0 | 111.6 | ||
| 1215 | G | 55.4 | Low | 76.6 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 74% | 0.742 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -17.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1213 | L1213-G1215 PolarHBondContact O-N 2.79Å; L1213-G1215 VanDerWaalsContact O-N 3.1Å |
| 1216 | F | 56.7 | Low | 76.5 | Confident | 139 Ų | 139 | 72 Ų | 72 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | trans | -110.3 | 24.1 | 176.7 | -68.5 | -78 | 0 | 0 | 0 | 113 | L1213 Q1218 S1219 | L1213-F1216 HydrophobicContact CB-CB 4.43Å; L1213-F1216 HydrophobicContact CB-CD2 4.17Å; L1213-F1216 PolarHBondContact O-N 2.83Å; F1216-Q1218 PolarHBondContact O-N 3.17Å; F1216-S1219 PolarHBondContact O-N 3.09Å; F1216-S1219 PolarHBondContact O-OG 2.83Å | ||
| 1217 | T | 65.9 | Low | 76.6 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -52.6 | -30.4 | -173.3 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | S1219 A1221 | T1217-S1219 PolarHBondContact O-N 3.06Å; T1217-A1221 WeakPolarHBondContact O-CB 3.38Å; T1217-A1221 PolarHBondContact O-N 2.91Å |
| 1218 | Q | 70.7 | Confident | 76.7 | Confident | 171 Ų | 171 | 67.5 Ų | 67.5 | 80% | 0.799 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.6 | -32.8 | 177.5 | -64.6 | -174.8 | 5.2 | 0 | 0 | 114.1 | F1216 K1222 | F1216-Q1218 PolarHBondContact O-N 3.17Å; Q1218-K1222 WeakPolarHBondContact O-CB 3.17Å; Q1218-K1222 PolarHBondContact O-N 2.78Å |
| 1219 | S | 72 | Confident | 76.9 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -75.2 | -43.2 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | F1216 T1217 K1222 L1223 | F1216-S1219 PolarHBondContact O-N 3.09Å; F1216-S1219 PolarHBondContact O-OG 2.83Å; T1217-S1219 PolarHBondContact O-N 3.06Å; S1219-K1222 PolarHBondContact O-N 2.86Å; S1219-L1223 WeakPolarHBondContact O-CB 3.49Å; S1219-L1223 PolarHBondContact O-N 2.77Å |
| 1220 | G | 78 | Confident | 77.3 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1222 L1223 V1224 | G1220-K1222 PolarHBondContact O-N 2.82Å; G1220-L1223 PolarHBondContact O-N 2.68Å; G1220-V1224 WeakPolarHBondContact O-CG2 3.38Å; G1220-V1224 PolarHBondContact O-N 2.61Å |
| 1221 | A | 82.7 | Confident | 77.9 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 12% | 0.116 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1217 L1223 V1224 L1225 F1298 I1302 | T1217-A1221 WeakPolarHBondContact O-CB 3.38Å; T1217-A1221 PolarHBondContact O-N 2.91Å; A1221-L1223 VanDerWaalsContact C-N 3.34Å; A1221-L1223 PolarHBondContact O-N 3.15Å; A1221-V1224 PolarHBondContact O-N 2.73Å; A1221-L1225 WeakPolarHBondContact O-CB 3.36Å; A1221-L1225 VanDerWaalsContact O-CG 3.28Å; A1221-L1225 WeakPolarHBondContact O-CG 3.33Å; A1221-L1225 PolarHBondContact O-N 3.1Å; A1221-F1298 HydrophobicContact CB-CE1 4.48Å; A1221-F1298 HydrophobicContact CB-CZ 4.07Å; A1221-I1302 HydrophobicContact CB-CB 4.28Å; A1221-I1302 HydrophobicContact CB-CD1 4.01Å; A1221-I1302 HydrophobicContact CB-CG2 3.75Å |
| 1222 | K | 84.7 | Confident | 78.7 | Confident | 138 Ų | 138 | 68 Ų | 68 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.5 | -38.6 | 176.1 | -174.5 | 171 | -177.5 | 174.7 | 0 | 112.2 | Q1218 S1219 G1220 N1226 | Q1218-K1222 WeakPolarHBondContact O-CB 3.17Å; Q1218-K1222 PolarHBondContact O-N 2.78Å; S1219-K1222 PolarHBondContact O-N 2.86Å; G1220-K1222 PolarHBondContact O-N 2.82Å; K1222-N1226 WeakPolarHBondContact O-CB 3.33Å; K1222-N1226 PolarHBondContact O-N 3.09Å; K1222-N1226 PolarHBondContact O-OD1 2.86Å |
| 1223 | L | 87.3 | Confident | 79.8 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 176.3 | -179.4 | 57.8 | 0 | 0 | 0 | 111.6 | A1208 I1211 S1219 G1220 A1221 L1225 N1226 I1227 | A1208-L1223 HydrophobicContact CB-CB 4.45Å; A1208-L1223 HydrophobicContact CB-CD2 3.61Å; A1208-L1223 HydrophobicContact CB-CG 3.73Å; I1211-L1223 HydrophobicContact CD1-CD2 4.31Å; S1219-L1223 WeakPolarHBondContact O-CB 3.49Å; S1219-L1223 PolarHBondContact O-N 2.77Å; G1220-L1223 PolarHBondContact O-N 2.68Å; A1221-L1223 VanDerWaalsContact C-N 3.34Å; A1221-L1223 PolarHBondContact O-N 3.15Å; L1223-L1225 PolarHBondContact O-N 2.89Å; L1223-N1226 WeakPolarHBondContact O-CB 3.45Å; L1223-N1226 PolarHBondContact O-N 3.19Å; L1223-I1227 HydrophobicContact CD1-CD1 4.28Å; L1223-I1227 HydrophobicContact CG-CD1 4.13Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.32Å; L1223-I1227 VanDerWaalsContact O-CG1 3.27Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.38Å; L1223-I1227 PolarHBondContact O-N 3.26Å |
| 1224 | V | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 112 | F1205 A1208 G1220 A1221 I1227 L1228 F1298 I1299 I1302 | F1205-V1224 HydrophobicContact CD1-CG1 4.19Å; F1205-V1224 HydrophobicContact CE1-CG1 4.12Å; A1208-V1224 HydrophobicContact CB-CG2 3.8Å; G1220-V1224 WeakPolarHBondContact O-CG2 3.38Å; G1220-V1224 PolarHBondContact O-N 2.61Å; A1221-V1224 PolarHBondContact O-N 2.73Å; V1224-I1227 PolarHBondContact O-N 3.05Å; V1224-L1228 PolarHBondContact O-N 3.47Å; V1224-F1298 HydrophobicContact CB-CE1 4.29Å; V1224-F1298 HydrophobicContact CG2-CD1 4.11Å; V1224-F1298 HydrophobicContact CG2-CE1 3.91Å; V1224-I1299 HydrophobicContact CG1-CD1 4.27Å; V1224-I1299 HydrophobicContact CG1-CG1 3.59Å; V1224-I1302 HydrophobicContact CB-CD1 4.22Å; V1224-I1302 HydrophobicContact CG1-CD1 3.97Å |
| 1225 | L | 88.2 | Confident | 83.2 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 173.1 | -70.2 | 167.2 | 0 | 0 | 0 | 111.9 | A1221 L1223 I1227 L1228 D1229 I1302 W1303 | A1221-L1225 WeakPolarHBondContact O-CB 3.36Å; A1221-L1225 VanDerWaalsContact O-CG 3.28Å; A1221-L1225 WeakPolarHBondContact O-CG 3.33Å; A1221-L1225 PolarHBondContact O-N 3.1Å; L1223-L1225 PolarHBondContact O-N 2.89Å; L1225-I1227 PolarHBondContact O-N 2.67Å; L1225-L1228 HydrophobicContact CD2-CD1 4.21Å; L1225-L1228 WeakPolarHBondContact O-CB 3.47Å; L1225-L1228 PolarHBondContact O-N 2.94Å; L1225-L1228 VanDerWaalsContact O-N 3.09Å; L1225-D1229 PolarHBondContact O-N 3.39Å; L1225-I1302 HydrophobicContact CD2-CD1 4.48Å; L1225-I1302 HydrophobicContact CG-CD1 4.14Å; L1225-W1303 HydrophobicContact CD2-CZ3 4.24Å |
| 1226 | N | 90.3 | Very high | 84.9 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 42% | 0.417 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -31.4 | 174.5 | -68.1 | -3.4 | 0 | 0 | 0 | 112.7 | K1222 L1223 D1229 C1230 | K1222-N1226 WeakPolarHBondContact O-CB 3.33Å; K1222-N1226 PolarHBondContact O-N 3.09Å; K1222-N1226 PolarHBondContact O-OD1 2.86Å; L1223-N1226 WeakPolarHBondContact O-CB 3.45Å; L1223-N1226 PolarHBondContact O-N 3.19Å; N1226-D1229 PolarHBondContact O-N 3.39Å; N1226-C1230 PolarHBondContact O-N 2.8Å; N1226-C1230 PolarHBondContact O-SG 2.89Å; N1226-C1230 VanDerWaalsContact O-SG 3.36Å |
| 1227 | I | 91.7 | Very high | 86.4 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.1 | -35.1 | 176.4 | -61.5 | 159.6 | 0 | 0 | 0 | 110.7 | L1201 M1204 F1205 A1208 L1223 V1224 L1225 D1229 C1230 | L1201-I1227 HydrophobicContact CB-CG2 4.1Å; L1201-I1227 HydrophobicContact CD1-CG2 4.28Å; L1201-I1227 HydrophobicContact CD2-CG2 4.44Å; M1204-I1227 HydrophobicContact CB-CD1 4.06Å; M1204-I1227 WeakPolarHBondContact O-CD1 3.41Å; F1205-I1227 HydrophobicContact CD1-CB 4.39Å; F1205-I1227 HydrophobicContact CD1-CG2 4.09Å; F1205-I1227 HydrophobicContact CD2-CG2 3.96Å; F1205-I1227 HydrophobicContact CE1-CB 3.93Å; F1205-I1227 HydrophobicContact CE1-CG2 3.72Å; F1205-I1227 HydrophobicContact CE2-CG2 3.58Å; F1205-I1227 HydrophobicContact CG-CG2 4.2Å; F1205-I1227 HydrophobicContact CZ-CB 4.07Å; F1205-I1227 HydrophobicContact CZ-CG2 3.46Å; F1205-I1227 VanDerWaalsContact CZ-CG2 3.46Å; A1208-I1227 HydrophobicContact CB-CD1 3.8Å; L1223-I1227 HydrophobicContact CD1-CD1 4.28Å; L1223-I1227 HydrophobicContact CG-CD1 4.13Å; L1223-I1227 WeakPolarHBondContact O-CD1 3.32Å; L1223-I1227 VanDerWaalsContact O-CG1 3.27Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.38Å; L1223-I1227 PolarHBondContact O-N 3.26Å; V1224-I1227 PolarHBondContact O-N 3.05Å; L1225-I1227 PolarHBondContact O-N 2.67Å; I1227-D1229 VanDerWaalsContact C-N 3.25Å; I1227-D1229 PolarHBondContact O-N 3.19Å; I1227-C1230 WeakPolarHBondContact O-CB 3.3Å; I1227-C1230 PolarHBondContact O-N 3.36Å |
| 1228 | L | 90.5 | Very high | 87.6 | Confident | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -34.2 | 169.2 | -73.7 | 165.2 | 0 | 0 | 0 | 112.1 | F1197 F1205 V1224 L1225 C1230 L1231 Q1236 L1239 I1299 W1303 | F1197-L1228 HydrophobicContact CD1-CD2 4.43Å; F1197-L1228 HydrophobicContact CE1-CD2 3.79Å; F1205-L1228 HydrophobicContact CE1-CD2 4.31Å; F1205-L1228 HydrophobicContact CE1-CG 4.07Å; F1205-L1228 HydrophobicContact CZ-CD2 4.01Å; F1205-L1228 HydrophobicContact CZ-CG 4.1Å; V1224-L1228 PolarHBondContact O-N 3.47Å; L1225-L1228 HydrophobicContact CD2-CD1 4.21Å; L1225-L1228 WeakPolarHBondContact O-CB 3.47Å; L1225-L1228 PolarHBondContact O-N 2.94Å; L1225-L1228 VanDerWaalsContact O-N 3.09Å; L1228-C1230 PolarHBondContact O-N 2.93Å; L1228-L1231 HydrophobicContact CD2-CD1 3.9Å; L1228-L1231 WeakPolarHBondContact O-CB 3.22Å; L1228-L1231 PolarHBondContact O-N 3.02Å; L1228-Q1236 PolarHBondContact O-NE2 2.8Å; L1228-L1239 HydrophobicContact CD2-CD2 3.53Å; L1228-I1299 HydrophobicContact CD1-CG2 4.4Å; L1228-W1303 HydrophobicContact CD1-CZ3 4.31Å |
| 1229 | D | 90.8 | Very high | 88.7 | Confident | 109 Ų | 109 | 43 Ų | 43 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -7.5 | 173.4 | -65.1 | -28 | 0 | 0 | 0 | 113.7 | L1225 N1226 I1227 | L1225-D1229 PolarHBondContact O-N 3.39Å; N1226-D1229 PolarHBondContact O-N 3.39Å; I1227-D1229 VanDerWaalsContact C-N 3.25Å; I1227-D1229 PolarHBondContact O-N 3.19Å |
| 1230 | C | 92.1 | Very high | 89.7 | Confident | 89 Ų | 89 | 41.7 Ų | 41.7 | 60% | 0.601 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.7 | 173.8 | -69.9 | 0 | 0 | 0 | 0 | 113.8 | L1201 N1226 I1227 L1228 | L1201-C1230 HydrophobicContact CD2-CB 4.35Å; N1226-C1230 PolarHBondContact O-N 2.8Å; N1226-C1230 PolarHBondContact O-SG 2.89Å; N1226-C1230 VanDerWaalsContact O-SG 3.36Å; I1227-C1230 WeakPolarHBondContact O-CB 3.3Å; I1227-C1230 PolarHBondContact O-N 3.36Å; L1228-C1230 PolarHBondContact O-N 2.93Å |
| 1231 | L | 92.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -69.2 | 151.1 | 172.8 | -79.5 | 164.3 | 0 | 0 | 0 | 111.7 | T1198 L1201 L1228 A1233 Q1236 L1239 | T1198-L1231 HydrophobicContact CG2-CD2 3.91Å; L1201-L1231 HydrophobicContact CD1-CB 4.45Å; L1201-L1231 HydrophobicContact CD1-CD2 3.59Å; L1201-L1231 HydrophobicContact CD1-CG 3.73Å; L1228-L1231 HydrophobicContact CD2-CD1 3.9Å; L1228-L1231 WeakPolarHBondContact O-CB 3.22Å; L1228-L1231 PolarHBondContact O-N 3.02Å; L1231-A1233 PolarHBondContact O-N 2.78Å; L1231-Q1236 HydrophobicContact CB-CB 4.02Å; L1231-Q1236 HydrophobicContact CB-CG 4.33Å; L1231-L1239 HydrophobicContact CD1-CD2 3.37Å |
| 1232 | P | 93 | Very high | 90.9 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | trans | -54.4 | 133.1 | 165.4 | -22.1 | 32.6 | 0 | 0 | 0 | 110 | T1198 N1234 N1235 Q1236 | T1198-P1232 HydrophobicContact CG2-CG 4Å; P1232-N1234 VanDerWaalsContact C-N 3.25Å; P1232-N1234 PolarHBondContact O-N 2.9Å; P1232-N1234 VanDerWaalsContact O-N 3.14Å; P1232-N1235 HydrophobicContact CB-CB 4.38Å; P1232-N1235 CarbonylContact O-C 3.6Å; P1232-N1235 WeakPolarHBondContact O-CA 3.45Å; P1232-N1235 WeakPolarHBondContact O-CB 3.47Å; P1232-N1235 PolarHBondContact O-N 2.79Å; P1232-Q1236 PolarHBondContact O-N 3.25Å | ||
| 1233 | A | 90.2 | Very high | 91.3 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 50% | 0.496 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -52.5 | -42.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1231 N1235 Q1236 E1237 | L1231-A1233 PolarHBondContact O-N 2.78Å; A1233-N1235 PolarHBondContact O-N 2.87Å; A1233-Q1236 WeakPolarHBondContact O-CB 3.35Å; A1233-Q1236 PolarHBondContact O-N 3.27Å; A1233-Q1236 VanDerWaalsContact O-N 3.13Å; A1233-E1237 PolarHBondContact O-N 3.38Å |
| 1234 | N | 91 | Very high | 91.6 | Very high | 24 Ų | 24 | 34.5 Ų | 34.5 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.7 | -43.4 | 173.8 | -80.4 | -5.2 | 0 | 0 | 0 | 113.1 | I1071 D1072 I1075 R1079 P1232 | I1071-N1234 HydrophobicContact CG2-CB 4.09Å; D1072-N1234 PolarHBondContact OD1-ND2 2.85Å; I1075-N1234 HydrophobicContact CD1-CB 3.69Å; I1075-N1234 WeakPolarHBondContact CD1-O 3.41Å; R1079-N1234 PolarHBondContact NH2-OD1 2.78Å; P1232-N1234 VanDerWaalsContact C-N 3.25Å; P1232-N1234 PolarHBondContact O-N 2.9Å; P1232-N1234 VanDerWaalsContact O-N 3.14Å |
| 1235 | N | 93.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.9 | -39.3 | 174.3 | -67.2 | 36.3 | 0 | 0 | 0 | 111.3 | I1071 L1196 P1232 A1233 I1238 L1239 | I1071-N1235 HydrophobicContact CD1-CB 4.48Å; L1196-N1235 HydrophobicContact CD1-CB 4.16Å; L1196-N1235 PolarHBondContact O-ND2 3.48Å; L1196-N1235 VanDerWaalsContact O-ND2 3.12Å; P1232-N1235 HydrophobicContact CB-CB 4.38Å; P1232-N1235 CarbonylContact O-C 3.6Å; P1232-N1235 WeakPolarHBondContact O-CA 3.45Å; P1232-N1235 WeakPolarHBondContact O-CB 3.47Å; P1232-N1235 PolarHBondContact O-N 2.79Å; A1233-N1235 PolarHBondContact O-N 2.87Å; N1235-I1238 PolarHBondContact O-N 2.85Å; N1235-L1239 VanDerWaalsContact O-CB 3.27Å; N1235-L1239 WeakPolarHBondContact O-CB 3.48Å; N1235-L1239 PolarHBondContact O-N 3.32Å |
| 1236 | Q | 91.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 23% | 0.229 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -47.2 | -178.3 | -160.8 | -169.2 | 21.1 | 0 | 0 | 111 | L1228 L1231 P1232 A1233 I1238 L1239 L1240 | L1228-Q1236 PolarHBondContact O-NE2 2.8Å; L1231-Q1236 HydrophobicContact CB-CB 4.02Å; L1231-Q1236 HydrophobicContact CB-CG 4.33Å; P1232-Q1236 PolarHBondContact O-N 3.25Å; A1233-Q1236 WeakPolarHBondContact O-CB 3.35Å; A1233-Q1236 PolarHBondContact O-N 3.27Å; A1233-Q1236 VanDerWaalsContact O-N 3.13Å; Q1236-I1238 PolarHBondContact O-N 2.87Å; Q1236-L1239 PolarHBondContact O-N 2.95Å; Q1236-L1240 HydrophobicContact CG-CD1 4.21Å; Q1236-L1240 HydrophobicContact CG-CG 4.41Å; Q1236-L1240 WeakPolarHBondContact O-CB 3.13Å; Q1236-L1240 WeakPolarHBondContact O-CG 3.27Å; Q1236-L1240 PolarHBondContact O-N 3.06Å |
| 1237 | E | 88.3 | Confident | 92.3 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.2 | -50.7 | 175.9 | -77.9 | -179.6 | -140.5 | 0 | 0 | 112.1 | M1102 F1103 A1233 Y1241 | M1102-E1237 VanDerWaalsContact CA-OE2 3.29Å; M1102-E1237 WeakPolarHBondContact CA-OE2 3.42Å; M1102-E1237 HydrophobicContact CE-CB 4.14Å; M1102-E1237 WeakPolarHBondContact CE-O 3.3Å; F1103-E1237 PolarHBondContact N-OE2 2.8Å; A1233-E1237 PolarHBondContact O-N 3.38Å; E1237-Y1241 PolarHBondContact O-N 3.38Å |
| 1238 | I | 92.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 178.2 | -66.8 | 178.4 | 0 | 0 | 0 | 110.5 | I1071 I1075 P1105 I1108 L1196 N1235 Q1236 L1240 Y1241 L1242 | I1071-I1238 HydrophobicContact CG2-CD1 3.69Å; I1075-I1238 HydrophobicContact CD1-CD1 4.03Å; I1075-I1238 HydrophobicContact CD1-CG1 4.38Å; I1075-I1238 HydrophobicContact CG1-CD1 4.42Å; P1105-I1238 HydrophobicContact CG-CD1 4.11Å; I1108-I1238 HydrophobicContact CD1-CD1 3.96Å; I1108-I1238 HydrophobicContact CD1-CG1 4.43Å; I1108-I1238 HydrophobicContact CD1-CG2 3.8Å; L1196-I1238 HydrophobicContact CD1-CB 4.27Å; L1196-I1238 HydrophobicContact CD1-CG2 4.06Å; L1196-I1238 HydrophobicContact CD2-CG2 4.2Å; N1235-I1238 PolarHBondContact O-N 2.85Å; Q1236-I1238 PolarHBondContact O-N 2.87Å; I1238-L1240 PolarHBondContact O-N 2.87Å; I1238-Y1241 PolarHBondContact O-N 2.86Å; I1238-L1242 HydrophobicContact CG2-CD1 3.95Å; I1238-L1242 HydrophobicContact CG2-CG 4.34Å; I1238-L1242 WeakPolarHBondContact O-CG 3.4Å; I1238-L1242 PolarHBondContact O-N 2.9Å |
| 1239 | L | 93.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -41 | -178.5 | -177.8 | 63 | 0 | 0 | 0 | 112.2 | L1196 F1197 L1228 L1231 N1235 Q1236 Y1241 L1242 L1243 | L1196-L1239 HydrophobicContact CD2-CB 4.11Å; L1196-L1239 HydrophobicContact CD2-CD1 3.84Å; L1196-L1239 HydrophobicContact CG-CB 4.24Å; L1196-L1239 HydrophobicContact CG-CD1 4.33Å; F1197-L1239 HydrophobicContact CD1-CD2 4.08Å; F1197-L1239 HydrophobicContact CD2-CD1 4.31Å; F1197-L1239 HydrophobicContact CE1-CD1 4.46Å; F1197-L1239 HydrophobicContact CE1-CD2 3.7Å; F1197-L1239 HydrophobicContact CE2-CD1 3.58Å; F1197-L1239 HydrophobicContact CE2-CD2 4.18Å; F1197-L1239 HydrophobicContact CG-CD2 4.5Å; F1197-L1239 HydrophobicContact CZ-CD1 3.68Å; F1197-L1239 HydrophobicContact CZ-CD2 3.76Å; F1197-L1239 HydrophobicContact CZ-CG 4.34Å; L1228-L1239 HydrophobicContact CD2-CD2 3.53Å; L1231-L1239 HydrophobicContact CD1-CD2 3.37Å; N1235-L1239 VanDerWaalsContact O-CB 3.27Å; N1235-L1239 WeakPolarHBondContact O-CB 3.48Å; N1235-L1239 PolarHBondContact O-N 3.32Å; Q1236-L1239 PolarHBondContact O-N 2.95Å; L1239-Y1241 PolarHBondContact O-N 2.91Å; L1239-L1242 PolarHBondContact O-N 2.89Å; L1239-L1243 HydrophobicContact CD1-CD1 4.26Å; L1239-L1243 HydrophobicContact CD1-CD2 4.48Å; L1239-L1243 HydrophobicContact CD1-CG 4.02Å; L1239-L1243 HydrophobicContact CD2-CD1 4.4Å; L1239-L1243 HydrophobicContact CG-CD1 3.9Å; L1239-L1243 HydrophobicContact CG-CG 4.14Å; L1239-L1243 WeakPolarHBondContact O-CB 3.34Å; L1239-L1243 WeakPolarHBondContact O-CG 3.38Å; L1239-L1243 PolarHBondContact O-N 3.32Å |
| 1240 | L | 91.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 26.6 Ų | 26.6 | 21% | 0.209 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.2 | -71.8 | 172.3 | 0 | 0 | 0 | 111.5 | Q1236 I1238 L1242 L1243 D1244 W1303 | Q1236-L1240 HydrophobicContact CG-CD1 4.21Å; Q1236-L1240 HydrophobicContact CG-CG 4.41Å; Q1236-L1240 WeakPolarHBondContact O-CB 3.13Å; Q1236-L1240 WeakPolarHBondContact O-CG 3.27Å; Q1236-L1240 PolarHBondContact O-N 3.06Å; I1238-L1240 PolarHBondContact O-N 2.87Å; L1240-L1242 VanDerWaalsContact C-N 3.31Å; L1240-L1242 PolarHBondContact O-N 2.92Å; L1240-L1243 PolarHBondContact O-N 2.94Å; L1240-D1244 PolarHBondContact O-N 3.11Å; L1240-D1244 VanDerWaalsContact O-N 3.14Å; L1240-W1303 HydrophobicContact CD2-CH2 3.43Å; L1240-W1303 VanDerWaalsContact CD2-CH2 3.43Å; L1240-W1303 HydrophobicContact CD2-CZ2 3.85Å |
| 1241 | Y | 91.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -39 | 176.3 | 177.4 | -108.5 | 0 | 0 | 0 | 112.4 | I1104 I1108 V1112 E1237 I1238 L1239 H1245 | I1104-Y1241 HydrophobicContact CD1-CD1 4.01Å; I1104-Y1241 HydrophobicContact CD1-CD2 3.53Å; I1104-Y1241 HydrophobicContact CD1-CE1 4.39Å; I1104-Y1241 HydrophobicContact CD1-CE2 3.95Å; I1104-Y1241 HydrophobicContact CD1-CG 3.55Å; I1104-Y1241 HydrophobicContact CG1-CD1 4.5Å; I1104-Y1241 HydrophobicContact CG1-CG 4.33Å; I1104-Y1241 HydrophobicContact CG2-CD1 3.99Å; I1104-Y1241 HydrophobicContact CG2-CE1 4.01Å; I1108-Y1241 HydrophobicContact CG2-CD1 4.18Å; I1108-Y1241 HydrophobicContact CG2-CE1 4.1Å; V1112-Y1241 HydrophobicContact CB-CE1 3.85Å; V1112-Y1241 HydrophobicContact CG1-CE1 3.85Å; V1112-Y1241 WeakPolarHBondContact CG1-OH 3.39Å; V1112-Y1241 HydrophobicContact CG2-CE1 3.92Å; E1237-Y1241 PolarHBondContact O-N 3.38Å; I1238-Y1241 PolarHBondContact O-N 2.86Å; L1239-Y1241 PolarHBondContact O-N 2.91Å; Y1241-H1245 PolarHBondContact O-N 3.05Å |
| 1242 | L | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.7 | -37.5 | 178.9 | -66.1 | -176.2 | 0 | 0 | 0 | 113.5 | I1108 V1112 F1185 L1189 L1196 I1238 L1239 L1240 D1244 H1245 F1246 | I1108-L1242 HydrophobicContact CG2-CD2 3.98Å; V1112-L1242 HydrophobicContact CG2-CD2 3.74Å; F1185-L1242 HydrophobicContact CE2-CD2 4.31Å; F1185-L1242 HydrophobicContact CZ-CD1 3.91Å; F1185-L1242 HydrophobicContact CZ-CD2 3.6Å; F1185-L1242 HydrophobicContact CZ-CG 4.42Å; L1189-L1242 HydrophobicContact CD2-CD1 4.48Å; L1196-L1242 HydrophobicContact CD2-CD1 3.93Å; I1238-L1242 HydrophobicContact CG2-CD1 3.95Å; I1238-L1242 HydrophobicContact CG2-CG 4.34Å; I1238-L1242 WeakPolarHBondContact O-CG 3.4Å; I1238-L1242 PolarHBondContact O-N 2.9Å; L1239-L1242 PolarHBondContact O-N 2.89Å; L1240-L1242 VanDerWaalsContact C-N 3.31Å; L1240-L1242 PolarHBondContact O-N 2.92Å; L1242-D1244 VanDerWaalsContact C-N 3.35Å; L1242-H1245 WeakPolarHBondContact O-CB 3.12Å; L1242-H1245 PolarHBondContact O-N 2.85Å; L1242-H1245 VanDerWaalsContact O-N 3.15Å; L1242-F1246 HydrophobicContact CB-CD2 4.35Å; L1242-F1246 HydrophobicContact CB-CE2 3.77Å; L1242-F1246 HydrophobicContact CB-CZ 4.15Å; L1242-F1246 WeakPolarHBondContact O-CD2 3.18Å; L1242-F1246 WeakPolarHBondContact O-CG 3.16Å; L1242-F1246 PolarHBondContact O-N 3.39Å |
| 1243 | L | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.4 | -73.4 | 172.9 | 0 | 0 | 0 | 111.3 | L1239 L1240 H1245 F1246 K1247 F1296 I1299 L1300 W1303 | L1239-L1243 HydrophobicContact CD1-CD1 4.26Å; L1239-L1243 HydrophobicContact CD1-CD2 4.48Å; L1239-L1243 HydrophobicContact CD1-CG 4.02Å; L1239-L1243 HydrophobicContact CD2-CD1 4.4Å; L1239-L1243 HydrophobicContact CG-CD1 3.9Å; L1239-L1243 HydrophobicContact CG-CG 4.14Å; L1239-L1243 WeakPolarHBondContact O-CB 3.34Å; L1239-L1243 WeakPolarHBondContact O-CG 3.38Å; L1239-L1243 PolarHBondContact O-N 3.32Å; L1240-L1243 PolarHBondContact O-N 2.94Å; L1243-H1245 VanDerWaalsContact C-N 3.29Å; L1243-H1245 PolarHBondContact O-N 2.96Å; L1243-F1246 PolarHBondContact O-N 2.9Å; L1243-K1247 WeakPolarHBondContact O-CB 2.99Å; L1243-K1247 PolarHBondContact O-N 2.76Å; L1243-F1296 HydrophobicContact CD2-CE2 3.93Å; L1243-F1296 HydrophobicContact CD2-CZ 4.31Å; L1243-I1299 HydrophobicContact CD1-CG2 4.3Å; L1243-I1299 HydrophobicContact CD2-CG2 3.84Å; L1243-L1300 HydrophobicContact CD2-CD2 4Å; L1243-W1303 HydrophobicContact CB-CD2 4.06Å; L1243-W1303 HydrophobicContact CB-CG 4.43Å; L1243-W1303 HydrophobicContact CB-CZ2 4.14Å; L1243-W1303 HydrophobicContact CD1-CD2 4.22Å; L1243-W1303 HydrophobicContact CD1-CE3 3.96Å; L1243-W1303 HydrophobicContact CD1-CH2 4.08Å; L1243-W1303 HydrophobicContact CD1-CZ2 4.29Å; L1243-W1303 HydrophobicContact CD1-CZ3 3.88Å |
| 1244 | D | 92.3 | Very high | 93.1 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.1 | -34.8 | 173.6 | -80.6 | -8.6 | 0 | 0 | 0 | 112 | L1240 L1242 R1248 W1303 | L1240-D1244 PolarHBondContact O-N 3.11Å; L1240-D1244 VanDerWaalsContact O-N 3.14Å; L1242-D1244 VanDerWaalsContact C-N 3.35Å; D1244-R1248 WeakPolarHBondContact O-CG 3.35Å; D1244-R1248 PolarHBondContact O-N 3.15Å; D1244-R1248 PolarHBondContact O-NH1 2.78Å; D1244-W1303 PolarHBondContact OD1-NE1 3.42Å |
| 1245 | H | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.8 | -49.1 | 173.5 | 169.7 | 60.6 | 0 | 0 | 0 | 112.7 | V1112 D1116 Y1126 Y1241 L1242 L1243 K1247 R1248 L1249 | V1112-H1245 HydrophobicContact CG1-CB 3.95Å; D1116-H1245 IonicContact OD1-CE1 2.67Å; D1116-H1245 PolarHBondContact OD1-CE1 3.3Å; D1116-H1245 IonicContact OD1-ND1 3.6Å; D1116-H1245 PolarHBondContact OD1-ND1 2.87Å; D1116-H1245 IonicContact OD2-ND1 3.55Å; Y1126-H1245 AromaticContact CE2-NE2 3.7Å; Y1126-H1245 AromaticContact CZ-NE2 3.87Å; Y1126-H1245 PolarHBondContact OH-NE2 2.79Å; Y1126-H1245 VanDerWaalsContact OH-NE2 3.13Å; Y1241-H1245 PolarHBondContact O-N 3.05Å; L1242-H1245 WeakPolarHBondContact O-CB 3.12Å; L1242-H1245 PolarHBondContact O-N 2.85Å; L1242-H1245 VanDerWaalsContact O-N 3.15Å; L1243-H1245 VanDerWaalsContact C-N 3.29Å; L1243-H1245 PolarHBondContact O-N 2.96Å; H1245-K1247 VanDerWaalsContact C-N 3.25Å; H1245-K1247 PolarHBondContact O-N 2.8Å; H1245-R1248 WeakPolarHBondContact O-CB 3.12Å; H1245-R1248 PolarHBondContact O-N 2.79Å; H1245-R1248 VanDerWaalsContact O-N 3.1Å; H1245-L1249 PolarHBondContact O-N 2.79Å; H1245-L1249 VanDerWaalsContact O-N 3.13Å |
| 1246 | F | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 178.5 | -60.1 | -38.7 | 0 | 0 | 0 | 111.6 | Y1126 F1185 L1242 L1243 L1249 T1250 L1263 L1267 L1271 F1296 L1300 | Y1126-F1246 HydrophobicContact CE2-CD1 4.24Å; Y1126-F1246 AromaticContact CE2-CE1 3.96Å; Y1126-F1246 HydrophobicContact CE2-CE1 3.96Å; Y1126-F1246 AromaticContact CZ-CE1 4Å; F1185-F1246 HydrophobicContact CE1-CZ 4.4Å; L1242-F1246 HydrophobicContact CB-CD2 4.35Å; L1242-F1246 HydrophobicContact CB-CE2 3.77Å; L1242-F1246 HydrophobicContact CB-CZ 4.15Å; L1242-F1246 WeakPolarHBondContact O-CD2 3.18Å; L1242-F1246 WeakPolarHBondContact O-CG 3.16Å; L1242-F1246 PolarHBondContact O-N 3.39Å; L1243-F1246 PolarHBondContact O-N 2.9Å; F1246-L1249 PolarHBondContact O-N 3.48Å; F1246-T1250 PolarHBondContact O-N 3.22Å; F1246-T1250 PolarHBondContact O-OG1 2.67Å; F1246-L1263 HydrophobicContact CB-CD2 3.9Å; F1246-L1263 HydrophobicContact CD1-CD2 4.42Å; F1246-L1263 HydrophobicContact CG-CD2 4.44Å; F1246-L1267 HydrophobicContact CD1-CD1 3.68Å; F1246-L1267 HydrophobicContact CD2-CD1 4.33Å; F1246-L1267 HydrophobicContact CE1-CD1 3.44Å; F1246-L1267 VanDerWaalsContact CE1-CD1 3.44Å; F1246-L1267 HydrophobicContact CE2-CD1 4.1Å; F1246-L1267 HydrophobicContact CG-CD1 4.15Å; F1246-L1267 HydrophobicContact CZ-CD1 3.67Å; F1246-L1271 HydrophobicContact CE2-CD1 4.3Å; F1246-F1296 HydrophobicContact CD2-CE1 4.5Å; F1246-F1296 AromaticContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CE2-CZ 4.1Å; F1246-L1300 HydrophobicContact CB-CD2 3.88Å |
| 1247 | K | 94.3 | Very high | 93.4 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 8% | 0.078 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 173.3 | -165.5 | 74.1 | -175.8 | -152.5 | 0 | 112.6 | L1243 H1245 L1249 T1250 N1251 L1300 W1303 D1305 | L1243-K1247 WeakPolarHBondContact O-CB 2.99Å; L1243-K1247 PolarHBondContact O-N 2.76Å; H1245-K1247 VanDerWaalsContact C-N 3.25Å; H1245-K1247 PolarHBondContact O-N 2.8Å; K1247-L1249 VanDerWaalsContact C-N 3.28Å; K1247-L1249 PolarHBondContact O-N 3.31Å; K1247-T1250 WeakPolarHBondContact CA-OG1 3.44Å; K1247-T1250 PolarHBondContact O-N 3.15Å; K1247-T1250 PolarHBondContact O-OG1 3.32Å; K1247-N1251 WeakPolarHBondContact O-CB 3.2Å; K1247-N1251 PolarHBondContact O-N 3.33Å; K1247-N1251 PolarHBondContact O-OD1 3.41Å; K1247-N1251 VanDerWaalsContact O-OD1 3.07Å; K1247-L1300 PolarHBondContact NZ-O 2.94Å; K1247-W1303 HydrophobicContact CD-CB 4.33Å; K1247-W1303 WeakPolarHBondContact CE-O 3.39Å; K1247-W1303 PolarHBondContact NZ-O 3.46Å; K1247-D1305 WeakPolarHBondContact CE-OD1 3.13Å; K1247-D1305 IonicContact NZ-OD1 2.84Å |
| 1248 | R | 93.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 35.6 Ų | 35.6 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.6 | -42.6 | 172.6 | -75 | -174.3 | -64.4 | -85.8 | 19.2 | 111.6 | D1116 D1244 H1245 N1251 N1252 | D1116-R1248 IonicContact OD1-CZ 3.53Å; D1116-R1248 IonicContact OD1-NE 3.12Å; D1116-R1248 PolarHBondContact OD1-NE 3.1Å; D1116-R1248 IonicContact OD1-NH2 2.88Å; D1116-R1248 IonicContact OD2-CZ 3.42Å; D1116-R1248 IonicContact OD2-NE 3.55Å; D1116-R1248 PolarHBondContact OD2-NE 2.83Å; D1116-R1248 VanDerWaalsContact OD2-NE 3.17Å; D1116-R1248 IonicContact OD2-NH2 2.72Å; D1116-R1248 PolarHBondContact OD2-NH2 3.13Å; D1244-R1248 WeakPolarHBondContact O-CG 3.35Å; D1244-R1248 PolarHBondContact O-N 3.15Å; D1244-R1248 PolarHBondContact O-NH1 2.78Å; H1245-R1248 WeakPolarHBondContact O-CB 3.12Å; H1245-R1248 PolarHBondContact O-N 2.79Å; H1245-R1248 VanDerWaalsContact O-N 3.1Å; R1248-N1251 PolarHBondContact O-N 2.76Å; R1248-N1252 PolarHBondContact O-N 2.84Å |
| 1249 | L | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -44.7 | 178.7 | -65.4 | -178.7 | 0 | 0 | 0 | 113 | I1115 V1125 Y1126 H1245 F1246 K1247 N1251 N1252 C1253 N1256 | I1115-L1249 HydrophobicContact CG2-CD1 4.45Å; V1125-L1249 HydrophobicContact CG1-CD1 4.24Å; V1125-L1249 HydrophobicContact CG1-CD2 4.49Å; V1125-L1249 HydrophobicContact CG2-CD1 4.45Å; Y1126-L1249 HydrophobicContact CD2-CD1 3.9Å; Y1126-L1249 HydrophobicContact CE2-CD1 3.54Å; H1245-L1249 PolarHBondContact O-N 2.79Å; H1245-L1249 VanDerWaalsContact O-N 3.13Å; F1246-L1249 PolarHBondContact O-N 3.48Å; K1247-L1249 VanDerWaalsContact C-N 3.28Å; K1247-L1249 PolarHBondContact O-N 3.31Å; L1249-N1251 PolarHBondContact O-N 2.94Å; L1249-N1252 CarbonylContact O-C 3.6Å; L1249-N1252 PolarHBondContact O-N 2.92Å; L1249-N1252 VanDerWaalsContact O-N 3.1Å; L1249-C1253 PolarHBondContact O-N 3.15Å; L1249-N1256 PolarHBondContact O-ND2 3.33Å |
| 1250 | T | 94.6 | Very high | 93.9 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -31.6 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | F1246 K1247 N1252 C1253 T1260 L1263 L1300 | F1246-T1250 PolarHBondContact O-N 3.22Å; F1246-T1250 PolarHBondContact O-OG1 2.67Å; K1247-T1250 WeakPolarHBondContact CA-OG1 3.44Å; K1247-T1250 PolarHBondContact O-N 3.15Å; K1247-T1250 PolarHBondContact O-OG1 3.32Å; T1250-N1252 PolarHBondContact O-N 2.83Å; T1250-C1253 WeakPolarHBondContact O-CB 3.21Å; T1250-C1253 PolarHBondContact O-N 2.95Å; T1250-C1253 VanDerWaalsContact O-N 3.12Å; T1250-C1253 PolarHBondContact O-SG 3.04Å; T1250-T1260 HydrophobicContact CG2-CG2 4.07Å; T1250-L1263 HydrophobicContact CG2-CB 4.41Å; T1250-L1263 HydrophobicContact CG2-CD2 3.69Å; T1250-L1300 HydrophobicContact CG2-CD1 4.45Å |
| 1251 | N | 93.2 | Very high | 94 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74.2 | -12.6 | 178.8 | -67.5 | 13.3 | 0 | 0 | 0 | 112.8 | K1247 R1248 L1249 D1305 | K1247-N1251 WeakPolarHBondContact O-CB 3.2Å; K1247-N1251 PolarHBondContact O-N 3.33Å; K1247-N1251 PolarHBondContact O-OD1 3.41Å; K1247-N1251 VanDerWaalsContact O-OD1 3.07Å; R1248-N1251 PolarHBondContact O-N 2.76Å; L1249-N1251 PolarHBondContact O-N 2.94Å; N1251-D1305 PolarHBondContact ND2-OD1 2.93Å; N1251-D1305 PolarHBondContact OD1-OD1 2.93Å |
| 1252 | N | 93.1 | Very high | 94.1 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 22.1 | 168.9 | -158.9 | 34.5 | 0 | 0 | 0 | 113.1 | S1120 D1121 R1248 L1249 T1250 E1254 V1255 N1256 | S1120-N1252 PolarHBondContact O-ND2 3.21Å; D1121-N1252 PolarHBondContact OD1-ND2 3.23Å; R1248-N1252 PolarHBondContact O-N 2.84Å; L1249-N1252 CarbonylContact O-C 3.6Å; L1249-N1252 PolarHBondContact O-N 2.92Å; L1249-N1252 VanDerWaalsContact O-N 3.1Å; T1250-N1252 PolarHBondContact O-N 2.83Å; N1252-E1254 PolarHBondContact O-N 3.38Å; N1252-E1254 VanDerWaalsContact O-N 3.11Å; N1252-V1255 PolarHBondContact O-N 2.82Å; N1252-V1255 WeakPolarHBondContact OD1-CG2 3.34Å; N1252-N1256 PolarHBondContact O-N 3.14Å; N1252-N1256 PolarHBondContact O-ND2 2.92Å; N1252-N1256 PolarHBondContact O-OD1 3.17Å |
| 1253 | C | 93.8 | Very high | 94.2 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 31% | 0.311 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.6 | -24.5 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | L1249 T1250 V1255 N1256 K1257 M1258 D1259 | L1249-C1253 PolarHBondContact O-N 3.15Å; T1250-C1253 WeakPolarHBondContact O-CB 3.21Å; T1250-C1253 PolarHBondContact O-N 2.95Å; T1250-C1253 VanDerWaalsContact O-N 3.12Å; T1250-C1253 PolarHBondContact O-SG 3.04Å; C1253-V1255 PolarHBondContact O-N 2.89Å; C1253-N1256 WeakPolarHBondContact CA-OD1 3.22Å; C1253-K1257 WeakPolarHBondContact O-CA 3.42Å; C1253-K1257 PolarHBondContact O-N 2.64Å; C1253-M1258 WeakPolarHBondContact CB-O 3.43Å; C1253-D1259 HydrophobicContact CB-CB 4.42Å |
| 1254 | E | 93.8 | Very high | 94.2 | Very high | 167 Ų | 167 | 40.8 Ų | 40.8 | 78% | 0.78 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -60 | -31.7 | 172.4 | -67.9 | -163.3 | 177 | 0 | 0 | 112.8 | N1252 K1257 | N1252-E1254 PolarHBondContact O-N 3.38Å; N1252-E1254 VanDerWaalsContact O-N 3.11Å; E1254-K1257 WeakPolarHBondContact O-CE 3.01Å; E1254-K1257 PolarHBondContact O-NZ 2.82Å |
| 1255 | V | 94 | Very high | 94.3 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -95 | -61.2 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | D1121 N1252 C1253 K1257 | D1121-V1255 HydrophobicContact CB-CG1 3.87Å; N1252-V1255 PolarHBondContact O-N 2.82Å; N1252-V1255 WeakPolarHBondContact OD1-CG2 3.34Å; C1253-V1255 PolarHBondContact O-N 2.89Å; V1255-K1257 VanDerWaalsContact C-N 3.31Å; V1255-K1257 PolarHBondContact O-N 3.32Å |
| 1256 | N | 94 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.2 | -8.2 | -170.7 | 67.6 | 37.7 | 0 | 0 | 0 | 115.1 | S1120 V1122 V1123 G1124 V1125 L1249 N1252 C1253 M1258 | S1120-N1256 WeakPolarHBondContact O-CB 3.42Å; S1120-N1256 PolarHBondContact O-ND2 2.67Å; V1122-N1256 WeakPolarHBondContact O-CB 3.5Å; V1123-N1256 CarbonylContact C-O 3.51Å; V1123-N1256 VanDerWaalsContact CA-O 3.3Å; V1123-N1256 WeakPolarHBondContact CA-O 3.28Å; G1124-N1256 PolarHBondContact N-O 2.91Å; V1125-N1256 HydrophobicContact CG1-CB 4.4Å; L1249-N1256 PolarHBondContact O-ND2 3.33Å; N1252-N1256 PolarHBondContact O-N 3.14Å; N1252-N1256 PolarHBondContact O-ND2 2.92Å; N1252-N1256 PolarHBondContact O-OD1 3.17Å; C1253-N1256 WeakPolarHBondContact CA-OD1 3.22Å; N1256-M1258 PolarHBondContact O-N 2.96Å; N1256-M1258 WeakPolarHBondContact OD1-CB 3.27Å; N1256-M1258 PolarHBondContact OD1-N 3.02Å |
| 1257 | K | 94.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | trans | 59.9 | 26.5 | 178.8 | -45.6 | -53.4 | -178.4 | -177.5 | 0 | 114.9 | V1123 C1253 E1254 V1255 | V1123-K1257 HydrophobicContact CG1-CB 4.33Å; V1123-K1257 HydrophobicContact CG1-CG 3.99Å; V1123-K1257 HydrophobicContact CG2-CG 4.49Å; C1253-K1257 WeakPolarHBondContact O-CA 3.42Å; C1253-K1257 PolarHBondContact O-N 2.64Å; E1254-K1257 WeakPolarHBondContact O-CE 3.01Å; E1254-K1257 PolarHBondContact O-NZ 2.82Å; V1255-K1257 VanDerWaalsContact C-N 3.31Å; V1255-K1257 PolarHBondContact O-N 3.32Å | ||
| 1258 | M | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -112.6 | 89.2 | 174.5 | -62.8 | -58.4 | -64.7 | 0 | 0 | 110.1 | V1125 R1127 C1253 N1256 N1262 L1263 | V1125-M1258 HydrophobicContact CG1-CG 3.92Å; R1127-M1258 HydrophobicContact CB-CE 3.77Å; R1127-M1258 HydrophobicContact CB-SD 3.7Å; R1127-M1258 HydrophobicContact CG-SD 4.4Å; C1253-M1258 WeakPolarHBondContact CB-O 3.43Å; N1256-M1258 PolarHBondContact O-N 2.96Å; N1256-M1258 WeakPolarHBondContact OD1-CB 3.27Å; N1256-M1258 PolarHBondContact OD1-N 3.02Å; M1258-N1262 VanDerWaalsContact CE-C 3.49Å; M1258-N1262 HydrophobicContact CE-CB 3.94Å; M1258-N1262 WeakPolarHBondContact CE-O 3.44Å; M1258-N1262 HydrophobicContact SD-CB 4.15Å; M1258-L1263 HydrophobicContact CE-CB 4.23Å; M1258-L1263 HydrophobicContact CE-CD1 4.17Å | ||
| 1259 | D | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 38.5 Ų | 38.5 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | trans | -73.7 | 177.2 | 167.3 | 65 | -2.7 | 0 | 0 | 0 | 111.7 | C1253 Q1261 N1262 L1263 | C1253-D1259 HydrophobicContact CB-CB 4.42Å; D1259-Q1261 PolarHBondContact O-N 2.9Å; D1259-Q1261 PolarHBondContact OD1-N 3.04Å; D1259-N1262 PolarHBondContact O-N 3.21Å; D1259-N1262 WeakPolarHBondContact OD1-CB 3.4Å; D1259-N1262 PolarHBondContact OD1-N 3.18Å; D1259-N1262 PolarHBondContact OD1-ND2 3.5Å; D1259-L1263 VanDerWaalsContact O-CB 3.32Å; D1259-L1263 WeakPolarHBondContact O-CB 3.33Å; D1259-L1263 PolarHBondContact O-N 3.14Å | ||
| 1260 | T | 95.2 | Very high | 94.1 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 17% | 0.172 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.8 | -39.3 | 178.6 | 54.7 | 0 | 0 | 0 | 0 | 112 | T1250 A1264 L1300 E1301 | T1250-T1260 HydrophobicContact CG2-CG2 4.07Å; T1260-A1264 WeakPolarHBondContact O-CB 3.43Å; T1260-A1264 PolarHBondContact O-N 3.03Å; T1260-L1300 HydrophobicContact CG2-CB 4.18Å; T1260-E1301 HydrophobicContact CG2-CG 4Å; T1260-E1301 PolarHBondContact OG1-OE1 2.88Å; T1260-E1301 VanDerWaalsContact OG1-OE1 3.06Å |
| 1261 | Q | 94.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 38.6 Ų | 38.6 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.8 | -56 | 179.4 | -176.6 | 65.1 | 68.7 | 0 | 0 | 112.4 | D1259 L1263 A1264 T1265 | D1259-Q1261 PolarHBondContact O-N 2.9Å; D1259-Q1261 PolarHBondContact OD1-N 3.04Å; Q1261-L1263 VanDerWaalsContact C-N 3.29Å; Q1261-L1263 PolarHBondContact O-N 3.33Å; Q1261-A1264 PolarHBondContact O-N 3.48Å; Q1261-T1265 WeakPolarHBondContact O-CB 3.43Å; Q1261-T1265 PolarHBondContact O-N 2.63Å; Q1261-T1265 PolarHBondContact O-OG1 3.12Å |
| 1262 | N | 93.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -35 | -177.5 | -74.2 | -82.2 | 0 | 0 | 0 | 111.2 | R1127 M1258 D1259 C1266 | R1127-N1262 VanDerWaalsContact NH1-CG 3.33Å; R1127-N1262 PolarHBondContact NH1-OD1 3.23Å; R1127-N1262 PolarHBondContact NH2-OD1 3.3Å; R1127-N1262 VanDerWaalsContact NH2-OD1 3.09Å; M1258-N1262 VanDerWaalsContact CE-C 3.49Å; M1258-N1262 HydrophobicContact CE-CB 3.94Å; M1258-N1262 WeakPolarHBondContact CE-O 3.44Å; M1258-N1262 HydrophobicContact SD-CB 4.15Å; D1259-N1262 PolarHBondContact O-N 3.21Å; D1259-N1262 WeakPolarHBondContact OD1-CB 3.4Å; D1259-N1262 PolarHBondContact OD1-N 3.18Å; D1259-N1262 PolarHBondContact OD1-ND2 3.5Å; N1262-C1266 PolarHBondContact O-N 2.89Å; N1262-C1266 PolarHBondContact O-SG 3.28Å |
| 1263 | L | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70 | -42.9 | 176.2 | -170.7 | 61.6 | 0 | 0 | 0 | 111.5 | Y1126 F1246 T1250 M1258 D1259 Q1261 C1266 L1267 L1300 | Y1126-L1263 HydrophobicContact CD2-CD1 3.86Å; Y1126-L1263 HydrophobicContact CG-CD1 4.35Å; F1246-L1263 HydrophobicContact CB-CD2 3.9Å; F1246-L1263 HydrophobicContact CD1-CD2 4.42Å; F1246-L1263 HydrophobicContact CG-CD2 4.44Å; T1250-L1263 HydrophobicContact CG2-CB 4.41Å; T1250-L1263 HydrophobicContact CG2-CD2 3.69Å; M1258-L1263 HydrophobicContact CE-CB 4.23Å; M1258-L1263 HydrophobicContact CE-CD1 4.17Å; D1259-L1263 VanDerWaalsContact O-CB 3.32Å; D1259-L1263 WeakPolarHBondContact O-CB 3.33Å; D1259-L1263 PolarHBondContact O-N 3.14Å; Q1261-L1263 VanDerWaalsContact C-N 3.29Å; Q1261-L1263 PolarHBondContact O-N 3.33Å; L1263-C1266 PolarHBondContact O-N 2.89Å; L1263-C1266 VanDerWaalsContact O-N 3.12Å; L1263-L1267 HydrophobicContact CD1-CD1 3.7Å; L1263-L1267 HydrophobicContact CD1-CG 4.24Å; L1263-L1267 HydrophobicContact CG-CD1 3.89Å; L1263-L1267 PolarHBondContact O-N 3.26Å; L1263-L1267 VanDerWaalsContact O-N 3.13Å; L1263-L1300 HydrophobicContact CD2-CD1 4.3Å |
| 1264 | A | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1260 Q1261 C1266 L1267 A1268 A1293 F1296 K1297 | T1260-A1264 WeakPolarHBondContact O-CB 3.43Å; T1260-A1264 PolarHBondContact O-N 3.03Å; Q1261-A1264 PolarHBondContact O-N 3.48Å; A1264-C1266 PolarHBondContact O-N 3.28Å; A1264-L1267 PolarHBondContact O-N 3.18Å; A1264-A1268 VanDerWaalsContact O-CB 3.23Å; A1264-A1268 WeakPolarHBondContact O-CB 3.36Å; A1264-A1268 PolarHBondContact O-N 3.14Å; A1264-A1293 HydrophobicContact CB-CB 4.45Å; A1264-F1296 HydrophobicContact CB-CB 4.23Å; A1264-F1296 HydrophobicContact CB-CD1 3.8Å; A1264-K1297 HydrophobicContact CB-CB 4.04Å |
| 1265 | T | 93.2 | Very high | 92.8 | Very high | 43 Ų | 43 | 22.9 Ų | 22.9 | 26% | 0.264 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -51.3 | -34.8 | 170.4 | -75.7 | 0 | 0 | 0 | 0 | 112.8 | E955 Q1261 | E955-T1265 WeakPolarHBondContact OE2-CG2 3.32Å; Q1261-T1265 WeakPolarHBondContact O-CB 3.43Å; Q1261-T1265 PolarHBondContact O-N 2.63Å; Q1261-T1265 PolarHBondContact O-OG1 3.12Å |
| 1266 | C | 93.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 21 Ų | 21 | 10% | 0.095 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -89.6 | -19.3 | -178.1 | -60.9 | 0 | 0 | 0 | 0 | 114.9 | N1262 L1263 A1264 | N1262-C1266 PolarHBondContact O-N 2.89Å; N1262-C1266 PolarHBondContact O-SG 3.28Å; L1263-C1266 PolarHBondContact O-N 2.89Å; L1263-C1266 VanDerWaalsContact O-N 3.12Å; A1264-C1266 PolarHBondContact O-N 3.28Å |
| 1267 | L | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -116.9 | -30.2 | -171.6 | -66.9 | -179.5 | 0 | 0 | 0 | 114.3 | Y1126 K1186 F1246 L1263 A1264 V1270 L1271 F1296 | Y1126-L1267 HydrophobicContact CD1-CD2 3.95Å; Y1126-L1267 HydrophobicContact CE1-CD2 4.46Å; Y1126-L1267 HydrophobicContact CG-CD2 4.16Å; K1186-L1267 HydrophobicContact CD-CD2 4.15Å; K1186-L1267 HydrophobicContact CG-CD2 4.15Å; F1246-L1267 HydrophobicContact CD1-CD1 3.68Å; F1246-L1267 HydrophobicContact CD2-CD1 4.33Å; F1246-L1267 HydrophobicContact CE1-CD1 3.44Å; F1246-L1267 VanDerWaalsContact CE1-CD1 3.44Å; F1246-L1267 HydrophobicContact CE2-CD1 4.1Å; F1246-L1267 HydrophobicContact CG-CD1 4.15Å; F1246-L1267 HydrophobicContact CZ-CD1 3.67Å; L1263-L1267 HydrophobicContact CD1-CD1 3.7Å; L1263-L1267 HydrophobicContact CD1-CG 4.24Å; L1263-L1267 HydrophobicContact CG-CD1 3.89Å; L1263-L1267 PolarHBondContact O-N 3.26Å; L1263-L1267 VanDerWaalsContact O-N 3.13Å; A1264-L1267 PolarHBondContact O-N 3.18Å; L1267-V1270 WeakPolarHBondContact O-CB 3.32Å; L1267-V1270 PolarHBondContact O-N 2.87Å; L1267-L1271 HydrophobicContact CB-CD1 3.92Å; L1267-L1271 WeakPolarHBondContact O-CG 3.5Å; L1267-L1271 PolarHBondContact O-N 3.26Å; L1267-F1296 HydrophobicContact CB-CE1 4.23Å; L1267-F1296 HydrophobicContact CD1-CE1 4.38Å |
| 1268 | A | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1264 V1270 L1271 F1272 M1292 A1293 F1296 | A1264-A1268 VanDerWaalsContact O-CB 3.23Å; A1264-A1268 WeakPolarHBondContact O-CB 3.36Å; A1264-A1268 PolarHBondContact O-N 3.14Å; A1268-V1270 VanDerWaalsContact C-N 3.28Å; A1268-V1270 PolarHBondContact O-N 3.21Å; A1268-L1271 PolarHBondContact O-N 2.9Å; A1268-F1272 HydrophobicContact CB-CD2 4.29Å; A1268-F1272 WeakPolarHBondContact O-CB 3.32Å; A1268-F1272 PolarHBondContact O-N 3.4Å; A1268-M1292 HydrophobicContact CB-CB 3.83Å; A1268-M1292 VanDerWaalsContact CB-O 3.27Å; A1268-M1292 WeakPolarHBondContact CB-O 3.36Å; A1268-A1293 HydrophobicContact CB-CB 4.4Å; A1268-F1296 HydrophobicContact CB-CB 3.8Å; A1268-F1296 HydrophobicContact CB-CG 4.41Å |
| 1269 | P | 91.5 | Very high | 89.7 | Confident | 19 Ų | 19 | 21.3 Ų | 21.3 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 173.2 | -24.7 | 36.1 | 0 | 0 | 0 | 112.6 | F1045 L1271 Y1273 P1289 | F1045-P1269 HydrophobicContact CE2-CB 4.25Å; F1045-P1269 HydrophobicContact CZ-CB 4.29Å; F1045-P1269 WeakPolarHBondContact CZ-O 3.34Å; P1269-L1271 VanDerWaalsContact C-N 3.34Å; P1269-L1271 PolarHBondContact O-N 3.24Å; P1269-Y1273 WeakPolarHBondContact O-CB 3.45Å; P1269-Y1273 PolarHBondContact O-N 2.97Å; P1269-Y1273 VanDerWaalsContact O-N 3.1Å; P1269-P1289 HydrophobicContact CG-CB 4.09Å |
| 1270 | V | 93.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.7 | -37.8 | 178.2 | -175 | 0 | 0 | 0 | 0 | 111.7 | F1045 R1047 K1186 L1189 R1190 L1267 A1268 | F1045-V1270 HydrophobicContact CZ-CG2 4.32Å; R1047-V1270 PolarHBondContact NH2-O 3.28Å; K1186-V1270 HydrophobicContact CD-CG2 4.46Å; K1186-V1270 WeakPolarHBondContact O-CG1 3.24Å; L1189-V1270 HydrophobicContact CB-CG1 3.56Å; R1190-V1270 HydrophobicContact CB-CG1 4.26Å; L1267-V1270 WeakPolarHBondContact O-CB 3.32Å; L1267-V1270 PolarHBondContact O-N 2.87Å; A1268-V1270 VanDerWaalsContact C-N 3.28Å; A1268-V1270 PolarHBondContact O-N 3.21Å |
| 1271 | L | 94.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -85.7 | -30.1 | -173.9 | -71.9 | 171.6 | 0 | 0 | 0 | 114.5 | L1189 P1195 L1196 F1197 F1246 L1267 A1268 P1269 F1296 | L1189-L1271 HydrophobicContact CD1-CD2 4.04Å; P1195-L1271 WeakPolarHBondContact CB-O 3.16Å; L1196-L1271 HydrophobicContact CB-CD2 4.29Å; L1196-L1271 HydrophobicContact CD2-CD2 4.08Å; F1197-L1271 HydrophobicContact CD2-CB 3.92Å; F1197-L1271 HydrophobicContact CE2-CB 4.04Å; F1197-L1271 HydrophobicContact CE2-CD1 4.33Å; F1197-L1271 PolarHBondContact N-O 2.81Å; F1246-L1271 HydrophobicContact CE2-CD1 4.3Å; L1267-L1271 HydrophobicContact CB-CD1 3.92Å; L1267-L1271 WeakPolarHBondContact O-CG 3.5Å; L1267-L1271 PolarHBondContact O-N 3.26Å; A1268-L1271 PolarHBondContact O-N 2.9Å; P1269-L1271 VanDerWaalsContact C-N 3.34Å; P1269-L1271 PolarHBondContact O-N 3.24Å; L1271-F1296 HydrophobicContact CD1-CD2 4.16Å; L1271-F1296 HydrophobicContact CD1-CE1 4.03Å; L1271-F1296 HydrophobicContact CD1-CE2 3.56Å; L1271-F1296 HydrophobicContact CD1-CZ 3.46Å; L1271-F1296 VanDerWaalsContact CD1-CZ 3.46Å |
| 1272 | F | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -113.1 | -26.2 | -173.8 | -75.4 | -81.7 | 0 | 0 | 0 | 115.6 | F1197 Y1202 F1205 A1268 P1274 M1292 I1295 F1296 I1299 | F1197-F1272 HydrophobicContact CB-CD1 3.69Å; F1197-F1272 HydrophobicContact CB-CE1 3.61Å; F1197-F1272 HydrophobicContact CB-CG 4.43Å; F1197-F1272 HydrophobicContact CB-CZ 4.25Å; F1197-F1272 HydrophobicContact CD1-CD1 4.33Å; F1197-F1272 AromaticContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE1 3.39Å; F1197-F1272 HydrophobicContact CD1-CE2 4.36Å; F1197-F1272 AromaticContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD1-CZ 3.42Å; F1197-F1272 VanDerWaalsContact CD1-CZ 3.42Å; F1197-F1272 HydrophobicContact CD2-CD1 4.28Å; F1197-F1272 HydrophobicContact CD2-CD2 4.24Å; F1197-F1272 AromaticContact CD2-CE1 3.93Å; F1197-F1272 HydrophobicContact CD2-CE1 3.93Å; F1197-F1272 AromaticContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CE2 3.82Å; F1197-F1272 HydrophobicContact CD2-CG 4.45Å; F1197-F1272 AromaticContact CD2-CZ 3.68Å; F1197-F1272 HydrophobicContact CD2-CZ 3.68Å; F1197-F1272 AromaticContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE1 3.95Å; F1197-F1272 HydrophobicContact CE1-CE2 4.29Å; F1197-F1272 AromaticContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE1-CZ 3.47Å; F1197-F1272 VanDerWaalsContact CE1-CZ 3.47Å; F1197-F1272 HydrophobicContact CE2-CD2 4.49Å; F1197-F1272 HydrophobicContact CE2-CE1 4.43Å; F1197-F1272 AromaticContact CE2-CE2 3.75Å; F1197-F1272 HydrophobicContact CE2-CE2 3.75Å; F1197-F1272 AromaticContact CE2-CZ 3.73Å; F1197-F1272 HydrophobicContact CE2-CZ 3.73Å; F1197-F1272 AromaticContact CG-CD1 3.86Å; F1197-F1272 HydrophobicContact CG-CD1 3.86Å; F1197-F1272 AromaticContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE1 3.36Å; F1197-F1272 HydrophobicContact CG-CE2 4.12Å; F1197-F1272 HydrophobicContact CG-CG 4.46Å; F1197-F1272 AromaticContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CG-CZ 3.51Å; F1197-F1272 HydrophobicContact CZ-CE1 4.43Å; F1197-F1272 AromaticContact CZ-CE2 3.99Å; F1197-F1272 HydrophobicContact CZ-CE2 3.99Å; F1197-F1272 AromaticContact CZ-CZ 3.62Å; F1197-F1272 HydrophobicContact CZ-CZ 3.62Å; Y1202-F1272 HydrophobicContact CD2-CB 4.07Å; Y1202-F1272 AromaticContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CD1 3.55Å; Y1202-F1272 HydrophobicContact CD2-CE1 4.37Å; Y1202-F1272 HydrophobicContact CD2-CG 4.15Å; Y1202-F1272 HydrophobicContact CE2-CB 4.2Å; Y1202-F1272 HydrophobicContact CE2-CD1 4.22Å; Y1202-F1272 HydrophobicContact CE2-CG 4.44Å; Y1202-F1272 HydrophobicContact CG-CD1 4.4Å; F1205-F1272 HydrophobicContact CB-CE1 4.49Å; F1205-F1272 HydrophobicContact CD2-CE1 4.04Å; F1205-F1272 HydrophobicContact CG-CE1 4.28Å; A1268-F1272 HydrophobicContact CB-CD2 4.29Å; A1268-F1272 WeakPolarHBondContact O-CB 3.32Å; A1268-F1272 PolarHBondContact O-N 3.4Å; F1272-P1274 VanDerWaalsContact O-CD 3.29Å; F1272-P1274 WeakPolarHBondContact O-CD 3.36Å; F1272-M1292 HydrophobicContact CB-CB 4.32Å; F1272-M1292 HydrophobicContact CB-CG 4.1Å; F1272-M1292 HydrophobicContact CB-SD 4.03Å; F1272-I1295 HydrophobicContact CE1-CG2 4.04Å; F1272-I1295 HydrophobicContact CE2-CG2 4.32Å; F1272-I1295 HydrophobicContact CZ-CG2 3.71Å; F1272-F1296 HydrophobicContact CE2-CB 3.85Å; F1272-F1296 AromaticContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CG 4.19Å; F1272-F1296 HydrophobicContact CZ-CD2 4.49Å; F1272-I1299 HydrophobicContact CZ-CD1 3.93Å |
| 1273 | Y | 89.5 | Confident | 87.1 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 117.2 | -167 | -163.1 | -78 | 0 | 0 | 0 | 111.1 | L1041 F1045 R1047 P1269 M1292 | L1041-Y1273 HydrophobicContact CD2-CD2 3.86Å; L1041-Y1273 HydrophobicContact CD2-CE2 3.4Å; L1041-Y1273 VanDerWaalsContact CD2-CE2 3.4Å; L1041-Y1273 HydrophobicContact CG-CD2 3.98Å; L1041-Y1273 HydrophobicContact CG-CE2 3.63Å; F1045-Y1273 HydrophobicContact CB-CD1 3.31Å; F1045-Y1273 HydrophobicContact CB-CE1 3.85Å; F1045-Y1273 HydrophobicContact CB-CG 4.02Å; F1045-Y1273 AromaticContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD1 3.99Å; F1045-Y1273 HydrophobicContact CD2-CD2 4.39Å; F1045-Y1273 AromaticContact CD2-CG 3.85Å; F1045-Y1273 HydrophobicContact CD2-CG 3.85Å; F1045-Y1273 AromaticContact CG-CD1 3.76Å; F1045-Y1273 HydrophobicContact CG-CD1 3.76Å; F1045-Y1273 AromaticContact CG-CG 3.93Å; F1045-Y1273 HydrophobicContact CG-CG 3.93Å; R1047-Y1273 PolarHBondContact NE-O 3.48Å; P1269-Y1273 WeakPolarHBondContact O-CB 3.45Å; P1269-Y1273 PolarHBondContact O-N 2.97Å; P1269-Y1273 VanDerWaalsContact O-N 3.1Å; Y1273-M1292 HydrophobicContact CD2-CE 3.58Å; Y1273-M1292 HydrophobicContact CD2-SD 4.07Å; Y1273-M1292 HydrophobicContact CE2-CE 4.29Å; Y1273-M1292 HydrophobicContact CG-CE 4.2Å |
| 1274 | P | 85.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 164.1 | -170.9 | 30.3 | -35.1 | 0 | 0 | 0 | 111.9 | Y1202 F1272 A1279 L1282 L1287 | Y1202-P1274 HydrophobicContact CD1-CG 4.39Å; F1272-P1274 VanDerWaalsContact O-CD 3.29Å; F1272-P1274 WeakPolarHBondContact O-CD 3.36Å; P1274-A1279 HydrophobicContact CG-CB 4.17Å; P1274-L1282 HydrophobicContact CG-CD1 4.18Å; P1274-L1287 HydrophobicContact CG-CD2 3.61Å |
| 1275 | S | 78.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 146.8 | 174.7 | 85 | 0 | 0 | 0 | 0 | 110.7 | S1277 S1278 A1279 | S1275-S1277 PolarHBondContact O-N 3.34Å; S1275-S1277 PolarHBondContact OG-N 3.44Å; S1275-S1278 WeakPolarHBondContact O-CA 3.45Å; S1275-S1278 WeakPolarHBondContact O-CB 3.36Å; S1275-S1278 PolarHBondContact O-N 2.9Å; S1275-S1278 PolarHBondContact OG-N 2.86Å; S1275-S1278 VanDerWaalsContact OG-N 3.1Å; S1275-S1278 PolarHBondContact OG-OG 2.9Å; S1275-A1279 WeakPolarHBondContact O-CB 3.4Å; S1275-A1279 PolarHBondContact O-N 2.84Å |
| 1276 | P | 74.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 42 Ų | 42 | 16% | 0.156 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.2 | 175.3 | -29.6 | 39.6 | 0 | 0 | 0 | 114.8 | F1045 H1046 R1280 | F1045-P1276 WeakPolarHBondContact O-CD 3.35Å; H1046-P1276 HydrophobicContact CB-CG 4.32Å; P1276-R1280 WeakPolarHBondContact O-CD 3.38Å; P1276-R1280 VanDerWaalsContact O-CG 3.29Å; P1276-R1280 WeakPolarHBondContact O-CG 3.38Å; P1276-R1280 PolarHBondContact O-NE 3.35Å; P1276-R1280 VanDerWaalsContact O-NE 3.15Å |
| 1277 | S | 74.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -45.2 | 167.2 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | S1275 | S1275-S1277 PolarHBondContact O-N 3.34Å; S1275-S1277 PolarHBondContact OG-N 3.44Å |
| 1278 | S | 80.6 | Confident | 84.6 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -39.4 | 176.5 | -47 | 0 | 0 | 0 | 0 | 112.3 | S1275 R1280 N1281 | S1275-S1278 WeakPolarHBondContact O-CA 3.45Å; S1275-S1278 WeakPolarHBondContact O-CB 3.36Å; S1275-S1278 PolarHBondContact O-N 2.9Å; S1275-S1278 PolarHBondContact OG-N 2.86Å; S1275-S1278 VanDerWaalsContact OG-N 3.1Å; S1275-S1278 PolarHBondContact OG-OG 2.9Å; S1278-R1280 VanDerWaalsContact C-N 3.27Å; S1278-R1280 PolarHBondContact O-N 3.42Å; S1278-N1281 PolarHBondContact O-N 3.37Å |
| 1279 | A | 81.1 | Confident | 84.3 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -63.2 | -27.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1274 S1275 N1281 L1282 L1287 | P1274-A1279 HydrophobicContact CG-CB 4.17Å; S1275-A1279 WeakPolarHBondContact O-CB 3.4Å; S1275-A1279 PolarHBondContact O-N 2.84Å; A1279-N1281 PolarHBondContact O-N 2.84Å; A1279-N1281 VanDerWaalsContact O-N 3.12Å; A1279-L1282 PolarHBondContact O-N 3.46Å; A1279-L1282 VanDerWaalsContact O-N 3.11Å; A1279-L1287 HydrophobicContact CB-CD1 3.97Å |
| 1280 | R | 77.9 | Confident | 84.2 | Confident | 195 Ų | 195 | 52 Ų | 52 | 74% | 0.736 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -56.8 | -26.6 | 179.4 | -75.6 | 163.2 | -167.8 | -159 | 1 | 114.1 | P1276 S1278 | P1276-R1280 WeakPolarHBondContact O-CD 3.38Å; P1276-R1280 VanDerWaalsContact O-CG 3.29Å; P1276-R1280 WeakPolarHBondContact O-CG 3.38Å; P1276-R1280 PolarHBondContact O-NE 3.35Å; P1276-R1280 VanDerWaalsContact O-NE 3.15Å; S1278-R1280 VanDerWaalsContact C-N 3.27Å; S1278-R1280 PolarHBondContact O-N 3.42Å |
| 1281 | N | 78.8 | Confident | 84.1 | Confident | 149 Ų | 149 | 54.5 Ų | 54.5 | 80% | 0.797 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -99.2 | 1.4 | -175.3 | -61.8 | -17.8 | 0 | 0 | 0 | 112.8 | S1278 A1279 | S1278-N1281 PolarHBondContact O-N 3.37Å; A1279-N1281 PolarHBondContact O-N 2.84Å; A1279-N1281 VanDerWaalsContact O-N 3.12Å |
| 1282 | L | 84.3 | Confident | 84 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -103.8 | 153.6 | 179.6 | -57.4 | -179.3 | 0 | 0 | 0 | 110.4 | Y1202 P1203 P1274 A1279 L1287 | Y1202-L1282 HydrophobicContact CD1-CD1 4.18Å; Y1202-L1282 HydrophobicContact CE1-CD1 4.41Å; P1203-L1282 HydrophobicContact CB-CD2 4.49Å; P1203-L1282 HydrophobicContact CG-CD1 4.34Å; P1203-L1282 HydrophobicContact CG-CD2 3.65Å; P1274-L1282 HydrophobicContact CG-CD1 4.18Å; A1279-L1282 PolarHBondContact O-N 3.46Å; A1279-L1282 VanDerWaalsContact O-N 3.11Å; L1282-L1287 HydrophobicContact CD1-CD2 4.23Å |
| 1283 | D | 82.6 | Confident | 84 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | trans | -65.9 | 124.8 | 170.7 | 176.2 | 5.2 | 0 | 0 | 0 | 109.4 | N1285 I1286 | D1283-N1285 VanDerWaalsContact CG-ND2 3.27Å; D1283-N1285 PolarHBondContact O-N 2.87Å; D1283-N1285 VanDerWaalsContact O-N 3.08Å; D1283-N1285 VanDerWaalsContact OD1-CG 3.32Å; D1283-N1285 PolarHBondContact OD1-N 3.01Å; D1283-N1285 PolarHBondContact OD1-ND2 3.38Å; D1283-N1285 PolarHBondContact OD2-ND2 2.94Å; D1283-I1286 HydrophobicContact CB-CD1 4Å; D1283-I1286 HydrophobicContact CB-CG1 4.05Å; D1283-I1286 WeakPolarHBondContact O-CB 3.36Å; D1283-I1286 PolarHBondContact O-N 3.31Å | ||
| 1284 | P | 81.7 | Confident | 84.1 | Confident | 96 Ų | 96 | 58.4 Ų | 58.4 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.2 | 175.5 | 22.7 | -35.2 | 0 | 0 | 0 | 114.5 | I1286 L1287 | P1284-I1286 VanDerWaalsContact C-N 3.25Å; P1284-I1286 PolarHBondContact O-N 3.35Å; P1284-L1287 PolarHBondContact O-N 2.92Å |
| 1285 | N | 82.4 | Confident | 84.4 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -27.3 | 174 | -55.3 | -51.5 | 0 | 0 | 0 | 112.8 | D1283 | D1283-N1285 VanDerWaalsContact CG-ND2 3.27Å; D1283-N1285 PolarHBondContact O-N 2.87Å; D1283-N1285 VanDerWaalsContact O-N 3.08Å; D1283-N1285 VanDerWaalsContact OD1-CG 3.32Å; D1283-N1285 PolarHBondContact OD1-N 3.01Å; D1283-N1285 PolarHBondContact OD1-ND2 3.38Å; D1283-N1285 PolarHBondContact OD2-ND2 2.94Å |
| 1286 | I | 86.4 | Confident | 85.2 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -38 | 177.2 | -59.5 | 176.9 | 0 | 0 | 0 | 109.7 | Y1202 Y1206 D1283 P1284 E1288 | Y1202-I1286 HydrophobicContact CE1-CG2 3.97Å; Y1202-I1286 PolarHBondContact OH-O 3.17Å; Y1206-I1286 HydrophobicContact CD1-CD1 3.98Å; Y1206-I1286 HydrophobicContact CD1-CG1 4Å; Y1206-I1286 HydrophobicContact CD1-CG2 3.95Å; Y1206-I1286 HydrophobicContact CD2-CG2 3.91Å; Y1206-I1286 HydrophobicContact CE1-CD1 3.95Å; Y1206-I1286 HydrophobicContact CE1-CG1 3.66Å; Y1206-I1286 HydrophobicContact CE1-CG2 4.31Å; Y1206-I1286 HydrophobicContact CE2-CG2 4.27Å; Y1206-I1286 HydrophobicContact CG-CG2 3.74Å; D1283-I1286 HydrophobicContact CB-CD1 4Å; D1283-I1286 HydrophobicContact CB-CG1 4.05Å; D1283-I1286 WeakPolarHBondContact O-CB 3.36Å; D1283-I1286 PolarHBondContact O-N 3.31Å; P1284-I1286 VanDerWaalsContact C-N 3.25Å; P1284-I1286 PolarHBondContact O-N 3.35Å; I1286-E1288 PolarHBondContact O-N 3.29Å |
| 1287 | L | 85.7 | Confident | 86.2 | Confident | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 8.2 | -174.7 | -64.3 | 171.1 | 0 | 0 | 0 | 114.8 | Y1202 P1274 A1279 L1282 P1284 M1292 | Y1202-L1287 HydrophobicContact CE1-CD2 4Å; P1274-L1287 HydrophobicContact CG-CD2 3.61Å; A1279-L1287 HydrophobicContact CB-CD1 3.97Å; L1282-L1287 HydrophobicContact CD1-CD2 4.23Å; P1284-L1287 PolarHBondContact O-N 2.92Å; L1287-M1292 HydrophobicContact CD2-CE 4.2Å |
| 1288 | E | 86.7 | Confident | 87 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | trans | -66.8 | 131.8 | 174.3 | -70.6 | -167.3 | 165.6 | 0 | 0 | 111.7 | I1286 R1290 K1291 M1292 | I1286-E1288 PolarHBondContact O-N 3.29Å; E1288-R1290 PolarHBondContact O-N 2.9Å; E1288-R1290 VanDerWaalsContact O-N 3.12Å; E1288-K1291 HydrophobicContact CB-CG 4.26Å; E1288-K1291 PolarHBondContact O-N 3.5Å; E1288-M1292 PolarHBondContact O-N 3.34Å | ||
| 1289 | P | 88.7 | Confident | 87.6 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.8 | -38.1 | 176.1 | -31 | 37 | 0 | 0 | 0 | 114.1 | E955 L1041 P1269 K1291 M1292 A1293 | E955-P1289 HydrophobicContact CG-CB 4.12Å; L1041-P1289 HydrophobicContact CD2-CG 3.76Å; P1269-P1289 HydrophobicContact CG-CB 4.09Å; P1289-K1291 VanDerWaalsContact C-N 3.29Å; P1289-K1291 PolarHBondContact O-N 2.87Å; P1289-M1292 WeakPolarHBondContact O-CB 3.43Å; P1289-M1292 PolarHBondContact O-N 3.39Å; P1289-A1293 PolarHBondContact O-N 2.94Å |
| 1290 | R | 89.1 | Confident | 88.2 | Confident | 130 Ų | 130 | 55.2 Ų | 55.2 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.6 | -41.2 | 175.7 | -63.3 | 176.8 | -176.5 | -116.7 | -5 | 112.6 | E955 D956 E1288 A1293 E1294 | E955-R1290 VanDerWaalsContact OE1-CG 3.25Å; E955-R1290 WeakPolarHBondContact OE1-CG 3.38Å; E955-R1290 PolarHBondContact OE1-N 3.41Å; D956-R1290 IonicContact OD2-CZ 2.68Å; D956-R1290 IonicContact OD2-NE 2.76Å; D956-R1290 PolarHBondContact OD2-NE 2.84Å; D956-R1290 IonicContact OD2-NH2 2.74Å; D956-R1290 PolarHBondContact OD2-NH2 3.36Å; E1288-R1290 PolarHBondContact O-N 2.9Å; E1288-R1290 VanDerWaalsContact O-N 3.12Å; R1290-A1293 PolarHBondContact O-N 2.9Å; R1290-E1294 WeakPolarHBondContact O-CG 3.35Å; R1290-E1294 PolarHBondContact O-N 3.45Å |
| 1291 | K | 90.5 | Very high | 88.8 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73.6 | -35.7 | -179.7 | -64.2 | -46.8 | -170.8 | -172.4 | 0 | 112.3 | Y1206 E1288 P1289 A1293 E1294 I1295 | Y1206-K1291 HydrophobicContact CD2-CB 4.42Å; Y1206-K1291 HydrophobicContact CE2-CB 4.14Å; Y1206-K1291 HydrophobicContact CE2-CD 4.45Å; Y1206-K1291 HydrophobicContact CE2-CG 4.13Å; E1288-K1291 HydrophobicContact CB-CG 4.26Å; E1288-K1291 PolarHBondContact O-N 3.5Å; P1289-K1291 VanDerWaalsContact C-N 3.29Å; P1289-K1291 PolarHBondContact O-N 2.87Å; K1291-A1293 VanDerWaalsContact C-N 3.33Å; K1291-E1294 VanDerWaalsContact CD-OE2 3.24Å; K1291-E1294 WeakPolarHBondContact CD-OE2 3.21Å; K1291-E1294 IonicContact NZ-OE1 2.66Å; K1291-E1294 PolarHBondContact NZ-OE1 2.89Å; K1291-E1294 IonicContact NZ-OE2 2.76Å; K1291-E1294 PolarHBondContact NZ-OE2 2.96Å; K1291-E1294 PolarHBondContact O-N 3.32Å; K1291-I1295 WeakPolarHBondContact O-CD1 3.47Å; K1291-I1295 VanDerWaalsContact O-CG1 3.26Å; K1291-I1295 WeakPolarHBondContact O-CG1 3.43Å; K1291-I1295 PolarHBondContact O-N 3.4Å; K1291-I1295 VanDerWaalsContact O-N 3.1Å |
| 1292 | M | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 168.4 | -58.1 | 179.4 | -178.3 | 0 | 0 | 110.9 | Y1202 A1268 F1272 Y1273 L1287 E1288 P1289 I1295 F1296 | Y1202-M1292 HydrophobicContact CE1-CE 4.07Å; Y1202-M1292 HydrophobicContact CE2-CE 4.37Å; Y1202-M1292 HydrophobicContact CE2-CG 3.99Å; Y1202-M1292 VanDerWaalsContact OH-CE 3.25Å; Y1202-M1292 WeakPolarHBondContact OH-CE 3.36Å; Y1202-M1292 WeakPolarHBondContact OH-CG 3.46Å; A1268-M1292 HydrophobicContact CB-CB 3.83Å; A1268-M1292 VanDerWaalsContact CB-O 3.27Å; A1268-M1292 WeakPolarHBondContact CB-O 3.36Å; F1272-M1292 HydrophobicContact CB-CB 4.32Å; F1272-M1292 HydrophobicContact CB-CG 4.1Å; F1272-M1292 HydrophobicContact CB-SD 4.03Å; Y1273-M1292 HydrophobicContact CD2-CE 3.58Å; Y1273-M1292 HydrophobicContact CD2-SD 4.07Å; Y1273-M1292 HydrophobicContact CE2-CE 4.29Å; Y1273-M1292 HydrophobicContact CG-CE 4.2Å; L1287-M1292 HydrophobicContact CD2-CE 4.2Å; E1288-M1292 PolarHBondContact O-N 3.34Å; P1289-M1292 WeakPolarHBondContact O-CB 3.43Å; P1289-M1292 PolarHBondContact O-N 3.39Å; M1292-I1295 PolarHBondContact O-N 2.96Å; M1292-F1296 PolarHBondContact O-N 3.41Å |
| 1293 | A | 93.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1264 A1268 P1289 R1290 K1291 K1297 | A1264-A1293 HydrophobicContact CB-CB 4.45Å; A1268-A1293 HydrophobicContact CB-CB 4.4Å; P1289-A1293 PolarHBondContact O-N 2.94Å; R1290-A1293 PolarHBondContact O-N 2.9Å; K1291-A1293 VanDerWaalsContact C-N 3.33Å; A1293-K1297 WeakPolarHBondContact O-CB 3.44Å; A1293-K1297 PolarHBondContact O-N 2.97Å |
| 1294 | E | 91.9 | Very high | 89.6 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 171.6 | -76.2 | 170.6 | -153.6 | 0 | 0 | 111.5 | R1290 K1291 F1298 | R1290-E1294 WeakPolarHBondContact O-CG 3.35Å; R1290-E1294 PolarHBondContact O-N 3.45Å; K1291-E1294 VanDerWaalsContact CD-OE2 3.24Å; K1291-E1294 WeakPolarHBondContact CD-OE2 3.21Å; K1291-E1294 IonicContact NZ-OE1 2.66Å; K1291-E1294 PolarHBondContact NZ-OE1 2.89Å; K1291-E1294 IonicContact NZ-OE2 2.76Å; K1291-E1294 PolarHBondContact NZ-OE2 2.96Å; K1291-E1294 PolarHBondContact O-N 3.32Å; E1294-F1298 PolarHBondContact O-N 2.92Å |
| 1295 | I | 93 | Very high | 89.2 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -53 | 176.9 | -66.8 | 160.1 | 0 | 0 | 0 | 111.2 | Y1202 F1205 Y1206 M1209 F1272 K1291 M1292 K1297 F1298 I1299 | Y1202-I1295 HydrophobicContact CD2-CD1 4.34Å; Y1202-I1295 HydrophobicContact CE2-CD1 3.75Å; F1205-I1295 HydrophobicContact CB-CG2 3.9Å; F1205-I1295 HydrophobicContact CG-CG2 4.5Å; Y1206-I1295 HydrophobicContact CD2-CD1 4.27Å; M1209-I1295 HydrophobicContact CB-CG1 4.42Å; M1209-I1295 HydrophobicContact CG-CB 4.46Å; M1209-I1295 HydrophobicContact CG-CG1 3.97Å; F1272-I1295 HydrophobicContact CE1-CG2 4.04Å; F1272-I1295 HydrophobicContact CE2-CG2 4.32Å; F1272-I1295 HydrophobicContact CZ-CG2 3.71Å; K1291-I1295 WeakPolarHBondContact O-CD1 3.47Å; K1291-I1295 VanDerWaalsContact O-CG1 3.26Å; K1291-I1295 WeakPolarHBondContact O-CG1 3.43Å; K1291-I1295 PolarHBondContact O-N 3.4Å; K1291-I1295 VanDerWaalsContact O-N 3.1Å; M1292-I1295 PolarHBondContact O-N 2.96Å; I1295-K1297 PolarHBondContact O-N 3.14Å; I1295-F1298 PolarHBondContact O-N 3.43Å; I1295-I1299 HydrophobicContact CG2-CD1 3.95Å; I1295-I1299 WeakPolarHBondContact O-CG1 3.37Å; I1295-I1299 PolarHBondContact O-N 3.32Å; I1295-I1299 VanDerWaalsContact O-N 3.13Å |
| 1296 | F | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.8 | -34.4 | -174 | -168.4 | -113.4 | 0 | 0 | 0 | 112.9 | F1197 L1243 F1246 A1264 L1267 A1268 L1271 F1272 M1292 I1299 L1300 | F1197-F1296 HydrophobicContact CE2-CD2 4.04Å; F1197-F1296 AromaticContact CE2-CE2 3.94Å; F1197-F1296 HydrophobicContact CE2-CE2 3.94Å; F1197-F1296 AromaticContact CZ-CD2 3.92Å; F1197-F1296 HydrophobicContact CZ-CD2 3.92Å; F1197-F1296 AromaticContact CZ-CE2 3.92Å; F1197-F1296 HydrophobicContact CZ-CE2 3.92Å; L1243-F1296 HydrophobicContact CD2-CE2 3.93Å; L1243-F1296 HydrophobicContact CD2-CZ 4.31Å; F1246-F1296 HydrophobicContact CD2-CE1 4.5Å; F1246-F1296 AromaticContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CD2-CZ 3.75Å; F1246-F1296 HydrophobicContact CE2-CZ 4.1Å; A1264-F1296 HydrophobicContact CB-CB 4.23Å; A1264-F1296 HydrophobicContact CB-CD1 3.8Å; L1267-F1296 HydrophobicContact CB-CE1 4.23Å; L1267-F1296 HydrophobicContact CD1-CE1 4.38Å; A1268-F1296 HydrophobicContact CB-CB 3.8Å; A1268-F1296 HydrophobicContact CB-CG 4.41Å; L1271-F1296 HydrophobicContact CD1-CD2 4.16Å; L1271-F1296 HydrophobicContact CD1-CE1 4.03Å; L1271-F1296 HydrophobicContact CD1-CE2 3.56Å; L1271-F1296 HydrophobicContact CD1-CZ 3.46Å; L1271-F1296 VanDerWaalsContact CD1-CZ 3.46Å; F1272-F1296 HydrophobicContact CE2-CB 3.85Å; F1272-F1296 AromaticContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CD2 3.81Å; F1272-F1296 HydrophobicContact CE2-CG 4.19Å; F1272-F1296 HydrophobicContact CZ-CD2 4.49Å; M1292-F1296 PolarHBondContact O-N 3.41Å; F1296-I1299 PolarHBondContact O-N 2.98Å; F1296-L1300 HydrophobicContact CD1-CD1 3.97Å; F1296-L1300 HydrophobicContact CD1-CG 4.31Å; F1296-L1300 HydrophobicContact CE1-CD1 3.63Å; F1296-L1300 HydrophobicContact CE1-CD2 4.4Å; F1296-L1300 HydrophobicContact CE1-CG 4.03Å; F1296-L1300 HydrophobicContact CZ-CD1 4.28Å; F1296-L1300 HydrophobicContact CZ-CD2 4.24Å; F1296-L1300 HydrophobicContact CZ-CG 4.27Å; F1296-L1300 PolarHBondContact O-N 3.29Å |
| 1297 | K | 94.2 | Very high | 86.6 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.5 | -49.1 | 171.8 | 174.4 | -175.1 | -178.9 | 176.5 | 0 | 111 | A1264 A1293 I1295 I1299 L1300 E1301 | A1264-K1297 HydrophobicContact CB-CB 4.04Å; A1293-K1297 WeakPolarHBondContact O-CB 3.44Å; A1293-K1297 PolarHBondContact O-N 2.97Å; I1295-K1297 PolarHBondContact O-N 3.14Å; K1297-I1299 VanDerWaalsContact C-N 3.3Å; K1297-I1299 PolarHBondContact O-N 3.4Å; K1297-L1300 PolarHBondContact O-N 2.94Å; K1297-L1300 VanDerWaalsContact O-N 3.16Å; K1297-E1301 WeakPolarHBondContact CE-OE1 3.41Å; K1297-E1301 HydrophobicContact CG-CG 4.42Å; K1297-E1301 VanDerWaalsContact CG-OE1 3.28Å; K1297-E1301 WeakPolarHBondContact CG-OE1 3.35Å; K1297-E1301 WeakPolarHBondContact O-CB 3.46Å; K1297-E1301 WeakPolarHBondContact O-CG 3.25Å; K1297-E1301 PolarHBondContact O-N 3.26Å |
| 1298 | F | 91.3 | Very high | 84.4 | Confident | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 178.2 | -178 | -109.5 | 0 | 0 | 0 | 111.8 | M1209 A1221 V1224 E1294 I1295 L1300 E1301 I1302 | M1209-F1298 HydrophobicContact CE-CB 3.8Å; M1209-F1298 HydrophobicContact CE-CD1 3.48Å; M1209-F1298 VanDerWaalsContact CE-CD1 3.48Å; M1209-F1298 HydrophobicContact CE-CD2 3.73Å; M1209-F1298 HydrophobicContact CE-CE1 3.9Å; M1209-F1298 HydrophobicContact CE-CE2 4.12Å; M1209-F1298 HydrophobicContact CE-CG 3.38Å; M1209-F1298 HydrophobicContact CE-CZ 4.19Å; M1209-F1298 HydrophobicContact SD-CB 3.35Å; M1209-F1298 WeakPolarHBondContact SD-CB 3.41Å; M1209-F1298 HydrophobicContact SD-CD1 3.69Å; M1209-F1298 HydrophobicContact SD-CD2 4.44Å; M1209-F1298 HydrophobicContact SD-CG 3.59Å; M1209-F1298 VanDerWaalsContact SD-CG 3.59Å; A1221-F1298 HydrophobicContact CB-CE1 4.48Å; A1221-F1298 HydrophobicContact CB-CZ 4.07Å; V1224-F1298 HydrophobicContact CB-CE1 4.29Å; V1224-F1298 HydrophobicContact CG2-CD1 4.11Å; V1224-F1298 HydrophobicContact CG2-CE1 3.91Å; E1294-F1298 PolarHBondContact O-N 2.92Å; I1295-F1298 PolarHBondContact O-N 3.43Å; F1298-L1300 PolarHBondContact O-N 3.39Å; F1298-E1301 PolarHBondContact O-N 3.33Å; F1298-I1302 HydrophobicContact CD1-CD1 4.36Å; F1298-I1302 HydrophobicContact CD2-CG2 4.26Å; F1298-I1302 HydrophobicContact CE1-CD1 4.09Å; F1298-I1302 HydrophobicContact CE1-CG2 4.17Å; F1298-I1302 HydrophobicContact CE2-CG2 3.89Å; F1298-I1302 HydrophobicContact CZ-CG2 3.84Å; F1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; F1298-I1302 WeakPolarHBondContact O-CG2 3.44Å; F1298-I1302 PolarHBondContact O-N 3.42Å |
| 1299 | I | 93.1 | Very high | 82 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.2 | -68.1 | 164 | 0 | 0 | 0 | 111.3 | F1197 F1205 V1224 L1228 L1243 F1272 I1295 F1296 K1297 E1301 I1302 W1303 | F1197-I1299 HydrophobicContact CE1-CD1 3.76Å; F1197-I1299 HydrophobicContact CZ-CD1 4.11Å; F1205-I1299 HydrophobicContact CD1-CD1 4.28Å; F1205-I1299 HydrophobicContact CE1-CD1 4.28Å; V1224-I1299 HydrophobicContact CG1-CD1 4.27Å; V1224-I1299 HydrophobicContact CG1-CG1 3.59Å; L1228-I1299 HydrophobicContact CD1-CG2 4.4Å; L1243-I1299 HydrophobicContact CD1-CG2 4.3Å; L1243-I1299 HydrophobicContact CD2-CG2 3.84Å; F1272-I1299 HydrophobicContact CZ-CD1 3.93Å; I1295-I1299 HydrophobicContact CG2-CD1 3.95Å; I1295-I1299 WeakPolarHBondContact O-CG1 3.37Å; I1295-I1299 PolarHBondContact O-N 3.32Å; I1295-I1299 VanDerWaalsContact O-N 3.13Å; F1296-I1299 PolarHBondContact O-N 2.98Å; K1297-I1299 VanDerWaalsContact C-N 3.3Å; K1297-I1299 PolarHBondContact O-N 3.4Å; I1299-E1301 VanDerWaalsContact C-N 3.34Å; I1299-E1301 PolarHBondContact O-N 3.08Å; I1299-I1302 WeakPolarHBondContact O-CG1 3.48Å; I1299-I1302 PolarHBondContact O-N 3.32Å; I1299-W1303 WeakPolarHBondContact O-CB 3.39Å; I1299-W1303 PolarHBondContact O-N 3.42Å |
| 1300 | L | 92.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -29 | 176.8 | -67.8 | 179.1 | 0 | 0 | 0 | 113.7 | L1243 F1246 K1247 T1250 T1260 L1263 F1296 K1297 F1298 | L1243-L1300 HydrophobicContact CD2-CD2 4Å; F1246-L1300 HydrophobicContact CB-CD2 3.88Å; K1247-L1300 PolarHBondContact NZ-O 2.94Å; T1250-L1300 HydrophobicContact CG2-CD1 4.45Å; T1260-L1300 HydrophobicContact CG2-CB 4.18Å; L1263-L1300 HydrophobicContact CD2-CD1 4.3Å; F1296-L1300 HydrophobicContact CD1-CD1 3.97Å; F1296-L1300 HydrophobicContact CD1-CG 4.31Å; F1296-L1300 HydrophobicContact CE1-CD1 3.63Å; F1296-L1300 HydrophobicContact CE1-CD2 4.4Å; F1296-L1300 HydrophobicContact CE1-CG 4.03Å; F1296-L1300 HydrophobicContact CZ-CD1 4.28Å; F1296-L1300 HydrophobicContact CZ-CD2 4.24Å; F1296-L1300 HydrophobicContact CZ-CG 4.27Å; F1296-L1300 PolarHBondContact O-N 3.29Å; K1297-L1300 PolarHBondContact O-N 2.94Å; K1297-L1300 VanDerWaalsContact O-N 3.16Å; F1298-L1300 PolarHBondContact O-N 3.39Å |
| 1301 | E | 90.6 | Very high | 76.9 | Confident | 96 Ų | 96 | 50 Ų | 50 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.3 | -36.8 | 177.1 | -75.5 | 172.6 | -177.8 | 0 | 0 | 112.1 | T1260 K1297 F1298 I1299 | T1260-E1301 HydrophobicContact CG2-CG 4Å; T1260-E1301 PolarHBondContact OG1-OE1 2.88Å; T1260-E1301 VanDerWaalsContact OG1-OE1 3.06Å; K1297-E1301 WeakPolarHBondContact CE-OE1 3.41Å; K1297-E1301 HydrophobicContact CG-CG 4.42Å; K1297-E1301 VanDerWaalsContact CG-OE1 3.28Å; K1297-E1301 WeakPolarHBondContact CG-OE1 3.35Å; K1297-E1301 WeakPolarHBondContact O-CB 3.46Å; K1297-E1301 WeakPolarHBondContact O-CG 3.25Å; K1297-E1301 PolarHBondContact O-N 3.26Å; F1298-E1301 PolarHBondContact O-N 3.33Å; I1299-E1301 VanDerWaalsContact C-N 3.34Å; I1299-E1301 PolarHBondContact O-N 3.08Å |
| 1302 | I | 89.1 | Confident | 73.8 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 23% | 0.226 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -83.2 | -12.4 | 173.5 | 72.5 | 179.5 | 0 | 0 | 0 | 113.5 | A1221 V1224 L1225 F1298 I1299 | A1221-I1302 HydrophobicContact CB-CB 4.28Å; A1221-I1302 HydrophobicContact CB-CD1 4.01Å; A1221-I1302 HydrophobicContact CB-CG2 3.75Å; V1224-I1302 HydrophobicContact CB-CD1 4.22Å; V1224-I1302 HydrophobicContact CG1-CD1 3.97Å; L1225-I1302 HydrophobicContact CD2-CD1 4.48Å; L1225-I1302 HydrophobicContact CG-CD1 4.14Å; F1298-I1302 HydrophobicContact CD1-CD1 4.36Å; F1298-I1302 HydrophobicContact CD2-CG2 4.26Å; F1298-I1302 HydrophobicContact CE1-CD1 4.09Å; F1298-I1302 HydrophobicContact CE1-CG2 4.17Å; F1298-I1302 HydrophobicContact CE2-CG2 3.89Å; F1298-I1302 HydrophobicContact CZ-CG2 3.84Å; F1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; F1298-I1302 WeakPolarHBondContact O-CG2 3.44Å; F1298-I1302 PolarHBondContact O-N 3.42Å; I1299-I1302 WeakPolarHBondContact O-CG1 3.48Å; I1299-I1302 PolarHBondContact O-N 3.32Å |
| 1303 | W | 89.5 | Confident | 71 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -69.8 | 131.7 | -179.4 | -158.2 | -105.3 | 0 | 0 | 0 | 111.9 | L1225 L1228 L1240 L1243 D1244 K1247 I1299 | L1225-W1303 HydrophobicContact CD2-CZ3 4.24Å; L1228-W1303 HydrophobicContact CD1-CZ3 4.31Å; L1240-W1303 HydrophobicContact CD2-CH2 3.43Å; L1240-W1303 VanDerWaalsContact CD2-CH2 3.43Å; L1240-W1303 HydrophobicContact CD2-CZ2 3.85Å; L1243-W1303 HydrophobicContact CB-CD2 4.06Å; L1243-W1303 HydrophobicContact CB-CG 4.43Å; L1243-W1303 HydrophobicContact CB-CZ2 4.14Å; L1243-W1303 HydrophobicContact CD1-CD2 4.22Å; L1243-W1303 HydrophobicContact CD1-CE3 3.96Å; L1243-W1303 HydrophobicContact CD1-CH2 4.08Å; L1243-W1303 HydrophobicContact CD1-CZ2 4.29Å; L1243-W1303 HydrophobicContact CD1-CZ3 3.88Å; D1244-W1303 PolarHBondContact OD1-NE1 3.42Å; K1247-W1303 HydrophobicContact CD-CB 4.33Å; K1247-W1303 WeakPolarHBondContact CE-O 3.39Å; K1247-W1303 PolarHBondContact NZ-O 3.46Å; I1299-W1303 WeakPolarHBondContact O-CB 3.39Å; I1299-W1303 PolarHBondContact O-N 3.42Å |
| 1304 | P | 84.8 | Confident | 67.9 | Low | 62 Ų | 62 | 66.2 Ų | 66.2 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | trans | -73.6 | 130.8 | -175.7 | 29.1 | -35.5 | 0 | 0 | 0 | 112.8 | D1306 R1307 | P1304-D1306 VanDerWaalsContact C-N 3.27Å; P1304-D1306 PolarHBondContact O-N 3Å; P1304-R1307 HydrophobicContact CG-CG 4.27Å | ||
| 1305 | D | 73.9 | Confident | 64.9 | Low | 82 Ų | 82 | 66.4 Ų | 66.4 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -61.4 | -34.3 | 176 | -54.2 | -80.7 | 0 | 0 | 0 | 113.5 | K1247 N1251 S1308 | K1247-D1305 WeakPolarHBondContact CE-OD1 3.13Å; K1247-D1305 IonicContact NZ-OD1 2.84Å; N1251-D1305 PolarHBondContact ND2-OD1 2.93Å; N1251-D1305 PolarHBondContact OD1-OD1 2.93Å; D1305-S1308 PolarHBondContact O-OG 2.7Å |
| 1306 | D | 56.9 | Low | 61.9 | Low | 91 Ų | 91 | 69.7 Ų | 69.7 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -97.9 | 4.9 | -155.1 | -116.3 | 12 | 0 | 0 | 0 | 115.5 | P1304 S1308 K1309 | P1304-D1306 VanDerWaalsContact C-N 3.27Å; P1304-D1306 PolarHBondContact O-N 3Å; D1306-S1308 PolarHBondContact O-N 3.47Å; D1306-K1309 PolarHBondContact O-N 3.17Å; D1306-K1309 VanDerWaalsContact OD1-CD 3.24Å; D1306-K1309 WeakPolarHBondContact OD1-CD 3.34Å; D1306-K1309 WeakPolarHBondContact OD1-CE 3.27Å; D1306-K1309 IonicContact OD1-NZ 3.74Å; D1306-K1309 PolarHBondContact OD1-NZ 3.08Å; D1306-K1309 IonicContact OD2-NZ 2.7Å; D1306-K1309 PolarHBondContact OD2-NZ 2.9Å |
| 1307 | R | 56.6 | Low | 58.9 | Low | 90 Ų | 90 | 75.3 Ų | 75.3 | 34% | 0.34 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -53.2 | -34.7 | 162.5 | -79.2 | -173.2 | 174.4 | -130.1 | 1 | 110.7 | Y1095 P1304 K1309 S1310 Y1311 | Y1095-R1307 PolarHBondContact OH-NH1 2.89Å; P1304-R1307 HydrophobicContact CG-CG 4.27Å; R1307-K1309 PolarHBondContact O-N 3.31Å; R1307-K1309 VanDerWaalsContact O-N 3.07Å; R1307-S1310 PolarHBondContact O-N 3.31Å; R1307-S1310 PolarHBondContact O-OG 3.1Å; R1307-S1310 VanDerWaalsContact O-OG 3.07Å; R1307-Y1311 VanDerWaalsContact O-CD2 3.3Å; R1307-Y1311 WeakPolarHBondContact O-CD2 3.39Å |
| 1308 | S | 40.3 | Very low | 55.8 | Low | 51 Ų | 51 | 75.8 Ų | 75.8 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -56.9 | -20.7 | 180 | 60 | 0 | 0 | 0 | 0 | 115.5 | D1305 D1306 S1310 Y1311 | D1305-S1308 PolarHBondContact O-OG 2.7Å; D1306-S1308 PolarHBondContact O-N 3.47Å; S1308-S1310 PolarHBondContact O-N 3.04Å; S1308-Y1311 CarbonylContact O-C 3.47Å; S1308-Y1311 WeakPolarHBondContact O-CA 3.32Å; S1308-Y1311 PolarHBondContact O-N 2.93Å |
| 1309 | K | 36 | Very low | 52.7 | Low | 149 Ų | 149 | 80.9 Ų | 80.9 | 65% | 0.648 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -75.4 | -19.7 | -177.7 | -76.3 | 178.1 | -177.7 | 145.5 | 0 | 114.9 | D1306 R1307 | D1306-K1309 PolarHBondContact O-N 3.17Å; D1306-K1309 VanDerWaalsContact OD1-CD 3.24Å; D1306-K1309 WeakPolarHBondContact OD1-CD 3.34Å; D1306-K1309 WeakPolarHBondContact OD1-CE 3.27Å; D1306-K1309 IonicContact OD1-NZ 3.74Å; D1306-K1309 PolarHBondContact OD1-NZ 3.08Å; D1306-K1309 IonicContact OD2-NZ 2.7Å; D1306-K1309 PolarHBondContact OD2-NZ 2.9Å; R1307-K1309 PolarHBondContact O-N 3.31Å; R1307-K1309 VanDerWaalsContact O-N 3.07Å |
| 1310 | S | 34.6 | Very low | 49.5 | Very low | 76 Ų | 76 | 86.3 Ų | 86.3 | 53% | 0.531 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -23.8 | 162.5 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | R1307 S1308 K1312 | R1307-S1310 PolarHBondContact O-N 3.31Å; R1307-S1310 PolarHBondContact O-OG 3.1Å; R1307-S1310 VanDerWaalsContact O-OG 3.07Å; S1308-S1310 PolarHBondContact O-N 3.04Å; S1310-K1312 PolarHBondContact O-N 3.07Å |
| 1311 | Y | 35.2 | Very low | 46.3 | Very low | 62 Ų | 62 | 89.9 Ų | 89.9 | 24% | 0.243 | 47% | 0.474 | C | S | . | . | trans | -98.1 | 63.2 | -178.2 | -61.8 | -64.6 | 0 | 0 | 0 | 113.1 | L1093 Y1095 R1307 S1308 F1313 | L1093-Y1311 HydrophobicContact CD2-CD1 4.29Å; L1093-Y1311 HydrophobicContact CD2-CE1 3.62Å; Y1095-Y1311 WeakPolarHBondContact CD2-OH 3.35Å; Y1095-Y1311 WeakPolarHBondContact CE2-OH 3.35Å; R1307-Y1311 VanDerWaalsContact O-CD2 3.3Å; R1307-Y1311 WeakPolarHBondContact O-CD2 3.39Å; S1308-Y1311 CarbonylContact O-C 3.47Å; S1308-Y1311 WeakPolarHBondContact O-CA 3.32Å; S1308-Y1311 PolarHBondContact O-N 2.93Å; Y1311-F1313 PolarHBondContact O-N 2.94Å | ||
| 1312 | K | 26.5 | Very low | 43.4 | Very low | 186 Ų | 186 | 91.1 Ų | 91.1 | 81% | 0.809 | 49% | 0.49 | S | S | * | . | trans | -69.8 | 84.3 | 154.9 | -75.2 | -173.3 | 178.3 | 178 | 0 | 109 | S1310 N1314 | S1310-K1312 PolarHBondContact O-N 3.07Å; K1312-N1314 VanDerWaalsContact C-N 3.34Å; K1312-N1314 PolarHBondContact O-N 3.42Å | ||
| 1313 | F | 32.3 | Very low | 40.6 | Very low | 128 Ų | 128 | 98.9 Ų | 98.9 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | trans | -61.2 | 98.3 | 166.5 | -169.3 | -85.4 | 0 | 0 | 0 | 107.8 | E1113 Y1311 P1315 | E1113-F1313 HydrophobicContact CG-CE2 4.23Å; E1113-F1313 HydrophobicContact CG-CZ 3.78Å; Y1311-F1313 PolarHBondContact O-N 2.94Å; F1313-P1315 WeakPolarHBondContact O-CD 3.37Å | ||
| 1314 | N | 27.6 | Very low | 37.7 | Very low | 85 Ų | 85 | 103.1 Ų | 103.1 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | trans | -84.9 | 106.4 | -171 | -160.7 | 17.9 | 0 | 0 | 0 | 108.6 | K1312 A1316 E1317 | K1312-N1314 VanDerWaalsContact C-N 3.34Å; K1312-N1314 PolarHBondContact O-N 3.42Å; N1314-A1316 PolarHBondContact O-N 3.47Å; N1314-E1317 HydrophobicContact CB-CG 4.41Å; N1314-E1317 PolarHBondContact ND2-OE1 3.25Å; N1314-E1317 PolarHBondContact O-N 2.91Å | ||
| 1315 | P | 29.6 | Very low | 35.2 | Very low | 99 Ų | 99 | 105.4 Ų | 105.4 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -2 | -166.3 | -19.6 | 34.6 | 0 | 0 | 0 | 114.5 | F1313 | F1313-P1315 WeakPolarHBondContact O-CD 3.37Š|
| 1316 | A | 29.7 | Very low | 33.3 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -7.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1314 | N1314-A1316 PolarHBondContact O-N 3.47Š|
| 1317 | E | 31.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 110 Ų | 110 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -99.2 | -2.8 | -175.9 | -73.3 | 176.4 | -135.4 | 0 | 0 | 114.1 | N1314 W1319 | N1314-E1317 HydrophobicContact CB-CG 4.41Å; N1314-E1317 PolarHBondContact ND2-OE1 3.25Å; N1314-E1317 PolarHBondContact O-N 2.91Å; E1317-W1319 PolarHBondContact O-N 2.9Å |
| 1318 | S | 29.3 | Very low | 31.3 | Very low | 66 Ų | 66 | 111.5 Ų | 111.5 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -84.9 | 106.1 | 167.6 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1319 | W | 27.7 | Very low | 31 | Very low | 130 Ų | 130 | 117 Ų | 117 | 49% | 0.492 | 64% | 0.644 | S | S | . | * | trans | 70.6 | 54.4 | 174.1 | -48.1 | 100.7 | 0 | 0 | 0 | 117 | L1087 I1165 Q1166 E1317 | L1087-W1319 HydrophobicContact CD2-CH2 4.39Å; I1165-W1319 HydrophobicContact CG2-CH2 4.37Å; I1165-W1319 HydrophobicContact CG2-CZ2 4.04Å; Q1166-W1319 HydrophobicContact CG-CD2 3.95Å; Q1166-W1319 HydrophobicContact CG-CE3 3.6Å; Q1166-W1319 HydrophobicContact CG-CH2 3.52Å; Q1166-W1319 HydrophobicContact CG-CZ2 3.87Å; Q1166-W1319 HydrophobicContact CG-CZ3 3.38Å; E1317-W1319 PolarHBondContact O-N 2.9Å | ||
| 1320 | T | 25.5 | Very low | 31 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -73.7 | 124.3 | 139.7 | 43.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1321 | S | 25.9 | Very low | 30.6 | Very low | 75 Ų | 75 | 121.2 Ų | 121.2 | 52% | 0.524 | 67% | 0.668 | S | S | . | * | trans | -62.3 | 142.5 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | Y1323 | S1321-Y1323 PolarHBondContact O-N 3.26Š| ||
| 1322 | P | 28.5 | Very low | 30.5 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 0.9 | 175.9 | -24.4 | 35.1 | 0 | 0 | 0 | 115.9 | ||
| 1323 | Y | 30.9 | Very low | 30.5 | Very low | 207 Ų | 207 | 126.5 Ų | 126.5 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 37.8 | -173.9 | -58.9 | -75.6 | 0 | 0 | 0 | 113.1 | S1321 | S1321-Y1323 PolarHBondContact O-N 3.26Š|
| 1324 | S | 27.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -153.4 | 149 | 163.4 | -165.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1325 | S | 33.6 | Very low | 30.6 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 64.2 | 114 | -175.3 | 76 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1326 | N | 33.6 | Very low | 30.6 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.1 | 167.9 | -70.3 | -40.9 | 0 | 0 | 0 | 110.3 | ||
| 1327 | P | 37.1 | Very low | 30.6 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 141.2 | 165.1 | -15.2 | 29.7 | 0 | 0 | 0 | 110.7 | L1329 | P1327-L1329 PolarHBondContact O-N 3.45Š|
| 1328 | P | 34.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.2 | 168.6 | 28.2 | -32.6 | 0 | 0 | 0 | 109.7 | ||
| 1329 | L | 33.6 | Very low | 30.6 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.5 | 176.4 | -75.2 | 168.9 | 0 | 0 | 0 | 110.6 | P1327 E1331 | P1327-L1329 PolarHBondContact O-N 3.45Å; L1329-E1331 PolarHBondContact O-N 3.39Å |
| 1330 | P | 35.9 | Very low | 30.9 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70 | 126.9 | 168.9 | -15.6 | 30.2 | 0 | 0 | 0 | 110.8 | E1332 | P1330-E1332 PolarHBondContact O-N 2.9Š|
| 1331 | E | 27.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 113.7 | 163.9 | -69.6 | -173.1 | 116.7 | 0 | 0 | 109.8 | L1329 | L1329-E1331 PolarHBondContact O-N 3.39Š| ||
| 1332 | E | 32.2 | Very low | 31.4 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -123.8 | 144.7 | 150.8 | -80.1 | -152.9 | 123.7 | 0 | 0 | 110.7 | P1330 | P1330-E1332 PolarHBondContact O-N 2.9Š| ||
| 1333 | Q | 27.1 | Very low | 31.6 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -88.8 | 159.3 | -165.6 | -55.7 | 166.6 | -0.7 | 0 | 0 | 110.9 | ||||
| 1334 | H | 32.5 | Very low | 31.8 | Very low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | -166.9 | 97.9 | 126.5 | -101.1 | 35.1 | 0 | 0 | 0 | 112.9 | |||||
| 1335 | Q | 28.8 | Very low | 32 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | 16.3 | 131.1 | 145.2 | -56.5 | 175.2 | 4.9 | 0 | 0 | 120.8 | ||||
| 1336 | T | 29.2 | Very low | 32.2 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | -169.6 | 150.4 | 114.6 | 16.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1337 | G | 30.2 | Very low | 32.3 | Very low | 62 Ų | 62 | 148.8 Ų | 148.8 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | 117 | 76.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1338 | F | 32.1 | Very low | 32.2 | Very low | 215 Ų | 215 | 151.1 Ų | 151.1 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | 60.6 | 136.9 | 143.8 | -64.3 | -79.5 | 0 | 0 | 0 | 124.2 | ||||
| 1339 | H | 28.4 | Very low | 32 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | trans | -65.9 | 175.9 | 167.1 | -128.8 | -132.7 | 0 | 0 | 0 | 112.4 | ||||
| 1340 | P | 34.1 | Very low | 31.9 | Very low | 92 Ų | 92 | 153 Ų | 153 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | cis | -144.7 | 177.6 | 12.1 | 40.7 | -20.1 | 0 | 0 | 0 | 119.3 | ||||
| 1341 | Q | 29.7 | Very low | 31.9 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 64% | 0.64 | 73% | 0.729 | S | S | * | * | trans | 97 | 145.5 | 130.9 | -104.5 | 164.7 | 5.4 | 0 | 0 | 124.4 | ||||
| 1342 | Y | 31.6 | Very low | 32.2 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | trans | 65.9 | 101.4 | 168.8 | -53.3 | -63.4 | 0 | 0 | 0 | 118.7 | ||||
| 1343 | H | 32.9 | Very low | 32.3 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | 97.6 | 138 | 85.6 | -80.6 | 8.4 | 0 | 0 | 0 | 112.4 | |||||
| 1344 | H | 35.4 | Very low | 32.5 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | cis | -141.5 | 141 | -9.2 | -88.2 | -23.1 | 0 | 0 | 0 | 107.2 | ||||
| 1345 | H | 31.6 | Very low | 32.8 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | 69.3 | 146.7 | 73.5 | -111.8 | 27.2 | 0 | 0 | 0 | 115.6 | |||||
| 1346 | P | 37.8 | Very low | 32.9 | Very low | 83 Ų | 83 | 143.6 Ų | 143.6 | 54% | 0.539 | 70% | 0.701 | S | S | . | * | cis | -146.6 | -169.6 | -44.9 | 34.3 | -12.4 | 0 | 0 | 0 | 115.3 | ||||
| 1347 | K | 35.4 | Very low | 33 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | trans | 82.7 | 144.5 | 161.2 | -57.1 | 172.4 | -178.1 | 174.8 | 0 | 116.4 | ||||
| 1348 | H | 35.3 | Very low | 32.9 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 73% | 0.731 | 69% | 0.694 | S | S | * | * | cis | -169.9 | 171.7 | -7.3 | -105.7 | -18.6 | 0 | 0 | 0 | 108.1 | ||||
| 1349 | R | 31 | Very low | 32.9 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | cis | -159.5 | 147.6 | 0.2 | -137.3 | -152.3 | 168.8 | -179 | -7 | 109.3 | ||||
| 1350 | Y | 32.3 | Very low | 32.9 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | trans | 62.4 | 146.4 | 149.9 | -79.2 | -143 | 0 | 0 | 0 | 118.8 | ||||
| 1351 | D | 34.9 | Very low | 32.6 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 51% | 0.513 | 69% | 0.687 | S | S | . | * | cis | -152.3 | 139.7 | -8.8 | -119.4 | 5.7 | 0 | 0 | 0 | 109.5 | ||||
| 1352 | Q | 33.7 | Very low | 32.6 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | 59.7 | 135.6 | 104.5 | -69.3 | -171.8 | 76.6 | 0 | 0 | 117 | |||||
| 1353 | S | 34.2 | Very low | 32.4 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | cis | -169.8 | 139.6 | -7.3 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1354 | S | 32.5 | Very low | 32.2 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | 64.8 | 166.6 | 136.5 | 81.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1355 | H | 38.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | cis | -154.8 | 163.7 | 6.8 | -103 | -41 | 0 | 0 | 0 | 106.8 | ||||
| 1356 | R | 31 | Very low | 31.9 | Very low | 217 Ų | 217 | 131.3 Ų | 131.3 | 82% | 0.819 | 70% | 0.7 | S | S | * | * | cis | -167.1 | 159.4 | -5.4 | 178.1 | 172.5 | -170.1 | 159.3 | 0.8 | 109.7 | ||||
| 1357 | A | 31.1 | Very low | 31.4 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | trans | -45.5 | 154.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1358 | S | 28 | Very low | 31.5 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | cis | 75.4 | 122.2 | 38.9 | -59 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1359 | S | 31.6 | Very low | 31 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 44 | 114.2 | 146.5 | 60.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 1360 | A | 28.6 | Very low | 30.9 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 79% | 0.793 | 72% | 0.719 | S | S | * | * | trans | -169.7 | 153.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1361 | I | 28.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 62% | 0.621 | 73% | 0.733 | S | S | * | * | cis | -178.5 | 160.5 | -30.8 | -111.6 | 161.7 | 0 | 0 | 0 | 106.3 | ||||
| 1362 | R | 29.2 | Very low | 30.4 | Very low | 219 Ų | 219 | 119 Ų | 119 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 71.2 | 136.2 | -178 | -63.9 | 142.7 | -165.2 | -94.4 | -2.7 | 113.2 | ||||
| 1363 | S | 27.8 | Very low | 30.1 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | cis | 70.6 | 143.5 | 42.2 | 94.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1364 | T | 28.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | cis | -162.9 | 178.4 | 26.3 | -23.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1365 | I | 29.9 | Very low | 29.6 | Very low | 150 Ų | 150 | 125 Ų | 125 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 80.8 | 145 | 153.1 | -70 | 156.7 | 0 | 0 | 0 | 118 | ||||
| 1366 | S | 30.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -8.5 | 155.6 | 171.5 | 62.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1367 | G | 28.2 | Very low | 29.2 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | 173.1 | -175.5 | 14.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1368 | P | 36 | Very low | 29.2 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -104.7 | 172.9 | -158.8 | 39.5 | -36.6 | 0 | 0 | 0 | 116.9 | ||||
| 1369 | A | 26.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 79.4 | 158 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1370 | G | 28.4 | Very low | 28.8 | Very low | 59 Ų | 59 | 127.3 Ų | 127.3 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | 102.6 | 90.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1371 | T | 27.9 | Very low | 28.8 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | 66.1 | 124.6 | 77.6 | 66.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1372 | G | 28.1 | Very low | 28.6 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | 126.5 | 101.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1373 | L | 28.2 | Very low | 28.5 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | 65 | 109.9 | 71.6 | -62 | 173.3 | 0 | 0 | 0 | 113.1 | |||||
| 1374 | G | 30.2 | Very low | 28.5 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 152.5 | 60.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1375 | Y | 26.7 | Very low | 28.6 | Very low | 213 Ų | 213 | 132.3 Ų | 132.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | 59.2 | 135.2 | 89.5 | -84.1 | -80.1 | 0 | 0 | 0 | 116.5 | |||||
| 1376 | R | 27.6 | Very low | 28.5 | Very low | 232 Ų | 232 | 132.1 Ų | 132.1 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | 71 | 98.2 | 165.1 | -68.2 | -171.9 | 174.8 | -151.5 | -1.3 | 119.4 | ||||
| 1377 | S | 31.4 | Very low | 28.5 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | -52.7 | 144.7 | 127.1 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1378 | P | 31.4 | Very low | 28.7 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | -153.7 | 160 | 95.4 | 40.6 | -22.3 | 0 | 0 | 0 | 117.9 | |||||
| 1379 | H | 26.1 | Very low | 28.3 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | 31.2 | 128.6 | 137.4 | -66.7 | -71.7 | 0 | 0 | 0 | 124.1 | ||||
| 1380 | T | 24.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | 60.7 | 98.3 | 122.8 | -46.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1381 | V | 30 | Very low | 28.5 | Very low | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -151 | 119.6 | 143.8 | 174 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1382 | Q | 24.4 | Very low | 28.5 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | cis | 72.1 | 84.3 | 39.5 | -141.8 | -161.3 | 35.5 | 0 | 0 | 115.5 | ||||
| 1383 | R | 27.6 | Very low | 28.5 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 172.8 | 119.9 | 146.5 | -93.2 | 150.1 | -173.5 | -146.3 | -0 | 108.2 | ||||
| 1384 | S | 27.3 | Very low | 28.6 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | 86.2 | 111.6 | 40.1 | 77.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1385 | S | 30.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 150.7 | 150.1 | 149.8 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1386 | I | 26.9 | Very low | 28.5 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | cis | -162.8 | 160 | -17.6 | -110.7 | 163.7 | 0 | 0 | 0 | 106.8 | ||||
| 1387 | L | 29.5 | Very low | 28.5 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | 66.6 | 144.8 | 175 | -69.6 | 156.8 | 0 | 0 | 0 | 116.7 | ||||
| 1388 | A | 32.8 | Very low | 28.4 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -147.7 | 133.6 | -14.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1389 | S | 27.5 | Very low | 28.2 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -67.3 | 153.7 | 169.1 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1390 | K | 31.2 | Very low | 28.3 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | -151.7 | 147.1 | 116.5 | -158.4 | 146.8 | -172.7 | 173.8 | 0 | 112.1 | |||||
| 1391 | A | 28.5 | Very low | 28.4 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | trans | -137.3 | -162.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1392 | E | 27.9 | Very low | 28.3 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 72.1 | 153.7 | 167.4 | -55.8 | 171.7 | 140.6 | 0 | 0 | 116.6 | ||||
| 1393 | S | 28.1 | Very low | 28.6 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | cis | -170.3 | 163.3 | -28.4 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1394 | D | 29.2 | Very low | 28.6 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | trans | 50.4 | 139.1 | 138.4 | -83.5 | 29 | 0 | 0 | 0 | 125.8 | ||||
| 1395 | K | 28.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | trans | 87.2 | 117.2 | 134.1 | -79.6 | -179.8 | -176.4 | 85.7 | 0 | 123.2 | ||||
| 1396 | S | 28.2 | Very low | 28.5 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | 72.9 | 116.7 | 121.7 | 73 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1397 | D | 26.6 | Very low | 28.4 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | 85.1 | 150.8 | 117.6 | -62.5 | -4.4 | 0 | 0 | 0 | 124.6 | |||||
| 1398 | Y | 28.5 | Very low | 28.2 | Very low | 225 Ų | 225 | 131.6 Ų | 131.6 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | 77.8 | 98 | 158.3 | -100.8 | -106.4 | 0 | 0 | 0 | 122.5 | ||||
| 1399 | A | 27.1 | Very low | 27.8 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 27.7 | 137 | 129.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1400 | G | 28.2 | Very low | 27.8 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -179.8 | 62.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1401 | I | 27.1 | Very low | 27.4 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | 21.2 | 123.9 | 144.7 | -54.3 | 163 | 0 | 0 | 0 | 118.8 | ||||
| 1402 | G | 29.4 | Very low | 27.4 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 178.2 | 85.1 | 164 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1403 | R | 29.8 | Very low | 27.4 | Very low | 247 Ų | 247 | 130.6 Ų | 130.6 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -30.8 | 164.7 | 151.9 | -68.1 | 172.6 | -178.7 | -173.4 | 0.1 | 116.1 | ||||
| 1404 | S | 28.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | 175 | 159.1 | -12.8 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1405 | G | 28.5 | Very low | 27.4 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | 82.8 | 165.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1406 | T | 26.7 | Very low | 27.6 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | cis | 168.2 | 149 | -20.5 | 20.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1407 | V | 25.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | 75.1 | 103.6 | 147 | 167.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1408 | K | 25.9 | Very low | 28.2 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 68% | 0.683 | 78% | 0.784 | S | S | * | * | 59.3 | 156.5 | 129.2 | -54 | -179.8 | -171 | 175.9 | 0 | 122.7 | |||||
| 1409 | Y | 24.1 | Very low | 28.6 | Very low | 215 Ų | 215 | 127.5 Ų | 127.5 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 71.4 | 149.8 | 161.1 | -55.8 | -67.4 | 0 | 0 | 0 | 116.9 | ||||
| 1410 | G | 27.2 | Very low | 28.9 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 148.8 | 77.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1411 | N | 23.4 | Very low | 29.2 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -98.9 | 136 | -178.9 | -157.5 | 15.7 | 0 | 0 | 0 | 110.5 | ||||
| 1412 | G | 26.7 | Very low | 29.7 | Very low | 66 Ų | 66 | 123.5 Ų | 123.5 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | 79.7 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1413 | S | 28.1 | Very low | 30 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | -163.2 | 162 | -11.8 | 51.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1414 | N | 27.4 | Very low | 30.1 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | 65.2 | 109.5 | 151.5 | -61 | -17.5 | 0 | 0 | 0 | 121.9 | ||||
| 1415 | G | 30.4 | Very low | 30.3 | Very low | 79 Ų | 79 | 121 Ų | 121 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | 99.2 | 161.7 | 119.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1416 | S | 32.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | cis | -164.8 | 155.5 | -8.9 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1417 | S | 35.2 | Very low | 30.8 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | trans | 71.2 | 145.8 | 159.7 | -64.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1418 | R | 33.6 | Very low | 31 | Very low | 206 Ų | 206 | 132 Ų | 132 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | cis | -162.8 | 165.9 | -0.4 | -116.4 | 163.8 | -148.4 | -108.8 | 7.1 | 109.5 | ||||
| 1419 | Q | 35.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | -142.5 | -83.3 | -0.6 | -170.1 | 156.2 | -90.9 | 0 | 0 | 113.4 | ||||
| 1420 | A | 34.8 | Very low | 31.4 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -168.8 | -177.5 | -170 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1421 | V | 33.9 | Very low | 31.7 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | cis | -146 | 152.5 | 16.7 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1422 | G | 37.5 | Very low | 31.9 | Very low | 59 Ų | 59 | 130.6 Ų | 130.6 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | cis | 149.7 | 171.7 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1423 | Q | 35 | Very low | 32.4 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | 65 | 149.2 | 170.7 | -57.2 | 177 | -78.8 | 0 | 0 | 116.1 | ||||
| 1424 | E | 32 | Very low | 32.2 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | cis | -162.9 | 158.5 | -14.7 | -109.8 | 158.6 | -155.1 | 0 | 0 | 106.5 | ||||
| 1425 | G | 33.5 | Very low | 32.1 | Very low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | cis | 167.2 | 152.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1426 | H | 36.4 | Very low | 31.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | 71.6 | 155 | 162.2 | -67 | 2.9 | 0 | 0 | 0 | 118.4 | ||||
| 1427 | R | 29.9 | Very low | 31.4 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | cis | -160.8 | 133.9 | -15.1 | -111 | 173.4 | -161 | -165.5 | 11 | 112.1 | ||||
| 1428 | R | 28.6 | Very low | 31 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | 61.5 | 139 | 132.8 | -69.4 | 178.9 | 180 | -173.4 | -1 | 124.1 | ||||
| 1429 | T | 29.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | trans | 80.1 | 105.9 | 134.4 | 47.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1430 | S | 28.2 | Very low | 30.2 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | 91.7 | 132.4 | 102.3 | -157 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1431 | R | 33.5 | Very low | 29.8 | Very low | 226 Ų | 226 | 139.7 Ų | 139.7 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | 75.4 | 122.2 | 155.1 | -73.2 | 162.2 | -172.7 | -177.1 | -0.5 | 121.4 | ||||
| 1432 | D | 28.4 | Very low | 29.4 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | -3.3 | 164.8 | 127.4 | -72.6 | -70.5 | 0 | 0 | 0 | 120.9 | |||||
| 1433 | P | 36.9 | Very low | 29 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | cis | -141.2 | -177 | -22.4 | 36.9 | -18.2 | 0 | 0 | 0 | 114.6 | ||||
| 1434 | R | 23.6 | Very low | 28.7 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | 58.9 | 143.3 | 146.6 | -88.6 | -176.5 | 176.2 | -169.9 | 0 | 121.1 | ||||
| 1435 | Q | 26.5 | Very low | 28.5 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 66.7 | 162 | 155.6 | -70 | -174.7 | 3.2 | 0 | 0 | 116.4 | ||||
| 1436 | T | 23.3 | Very low | 28.1 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | cis | -154.9 | 165.4 | -42.2 | -59 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1437 | V | 24.6 | Very low | 28 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | 62.2 | 162.7 | 172.6 | -108.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1438 | S | 25.2 | Very low | 28 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 50% | 0.503 | 75% | 0.752 | S | S | . | * | cis | -149.5 | -169 | -9.5 | -158.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1439 | F | 26.2 | Very low | 28.3 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 31.5 | 114.9 | 154.1 | -49.6 | -56 | 0 | 0 | 0 | 117.8 | ||||
| 1440 | G | 26.1 | Very low | 28.2 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | cis | 95.5 | 151.8 | 20.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1441 | N | 26.4 | Very low | 28.1 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | 67.2 | 150 | -177 | -63 | -29.6 | 0 | 0 | 0 | 116 | ||||
| 1442 | A | 26.6 | Very low | 27.6 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | cis | -169.1 | 175.3 | -21.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1443 | K | 28 | Very low | 27.6 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | 74 | 157.8 | 172.3 | -47.7 | 163.6 | -175.4 | 172.3 | 0 | 111.3 | ||||
| 1444 | T | 28.2 | Very low | 27 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | cis | -149.3 | 124.8 | 29.1 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1445 | I | 29.2 | Very low | 27.1 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | 50.1 | 105.4 | 145.1 | -60.2 | 173.3 | 0 | 0 | 0 | 116.9 | ||||
| 1446 | R | 24.7 | Very low | 27 | Very low | 221 Ų | 221 | 140.3 Ų | 140.3 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | 61.1 | 104.2 | 79.5 | -70.4 | -179.2 | 175.4 | 170.3 | -2.7 | 116 | |||||
| 1447 | T | 33.4 | Very low | 27.1 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -151.1 | 112.4 | 142.3 | 15.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1448 | H | 30.4 | Very low | 27.1 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | 51 | 115.7 | 95.2 | -62.2 | -72.3 | 0 | 0 | 0 | 111.9 | |||||
| 1449 | S | 34.2 | Very low | 27 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | cis | -148.4 | 167.5 | 38.8 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1450 | A | 27.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | -111.1 | 151.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1451 | Q | 27 | Very low | 27.1 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -2.4 | 151.8 | 148.7 | -62.5 | 161.5 | -49.8 | 0 | 0 | 120 | ||||
| 1452 | R | 23.8 | Very low | 27.2 | Very low | 241 Ų | 241 | 145.1 Ų | 145.1 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 74.3 | 98.2 | 171.6 | -67 | -170.7 | 174 | -154.9 | -0.6 | 117.6 | ||||
| 1453 | K | 27 | Very low | 27.2 | Very low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -162.1 | 132.8 | 130.1 | -101 | 154.4 | -174.4 | -178.1 | 0 | 105.9 | ||||
| 1454 | T | 25.2 | Very low | 27.3 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | cis | 60.6 | 133.1 | 34.7 | 75.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1455 | L | 25.2 | Very low | 27.3 | Very low | 156 Ų | 156 | 141 Ų | 141 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | 84.2 | 115.5 | -159.6 | -53.9 | 156.6 | 0 | 0 | 0 | 110.4 | ||||
| 1456 | S | 24 | Very low | 27.2 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 55% | 0.545 | 77% | 0.769 | S | S | . | * | cis | 92 | 136.7 | 33.3 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1457 | Q | 25.5 | Very low | 27.4 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 144.9 | 165.7 | -65.9 | 166 | -88.7 | 0 | 0 | 114.5 | ||||
| 1458 | T | 25 | Very low | 27.1 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | cis | -156.8 | 177.7 | -9.8 | 5.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1459 | D | 23.1 | Very low | 27 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 8.4 | 126.6 | 140.4 | -36.8 | -33.9 | 0 | 0 | 0 | 116.5 | ||||
| 1460 | I | 29.4 | Very low | 26.7 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | -170.5 | 119.2 | 91.5 | -93.3 | 153.1 | 0 | 0 | 0 | 106.7 | |||||
| 1461 | T | 26 | Very low | 26.7 | Very low | 115 Ų | 115 | 142 Ų | 142 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 51.1 | 142.9 | 91.2 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1462 | L | 26.5 | Very low | 26.7 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | cis | -159.4 | 141.7 | 15.5 | -155.3 | 138.2 | 0 | 0 | 0 | 112.6 | ||||
| 1463 | G | 28.1 | Very low | 26.8 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 76 | 163.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1464 | S | 28.8 | Very low | 26.9 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | cis | -155.1 | 158.1 | -10.8 | -166.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1465 | T | 29.4 | Very low | 26.9 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | -49.9 | 169.8 | 173.5 | 56.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1466 | R | 27.1 | Very low | 26.9 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | cis | -144 | 156.5 | 26.7 | -55.8 | 168.4 | 154.7 | 133.3 | -9.8 | 110.2 | ||||
| 1467 | E | 27.8 | Very low | 27 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | 67.7 | 130 | 41.9 | -83.4 | -170.1 | -174.6 | 0 | 0 | 117.2 | ||||
| 1468 | Y | 28.3 | Very low | 27 | Very low | 234 Ų | 234 | 143.9 Ų | 143.9 | 92% | 0.918 | 75% | 0.745 | S | S | * | * | trans | -145.9 | 137.3 | 151 | -104.1 | -76.6 | 0 | 0 | 0 | 108.7 | ||||
| 1469 | T | 27.2 | Very low | 27 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | -147.4 | 145.2 | -157.6 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1470 | V | 28.8 | Very low | 27.1 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | trans | -140.9 | 128.4 | 157 | -165.6 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1471 | G | 27.1 | Very low | 27.3 | Very low | 57 Ų | 57 | 145 Ų | 145 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | cis | 105.4 | 122.4 | 32.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1472 | F | 27.7 | Very low | 27.4 | Very low | 201 Ų | 201 | 143 Ų | 143 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | cis | -143.5 | -168.2 | 23 | -64 | -103.8 | 0 | 0 | 0 | 109.8 | ||||
| 1473 | D | 26.2 | Very low | 27.3 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 55% | 0.551 | 73% | 0.731 | S | S | * | * | -174.8 | 131.7 | -67.2 | -176.8 | 6.3 | 0 | 0 | 0 | 106.3 | |||||
| 1474 | F | 28 | Very low | 27.3 | Very low | 213 Ų | 213 | 144.5 Ų | 144.5 | 93% | 0.934 | 74% | 0.737 | S | S | * | * | trans | -168.6 | 94.8 | 145.4 | -110.4 | -67.8 | 0 | 0 | 0 | 111.8 | ||||
| 1475 | R | 25 | Very low | 27.2 | Very low | 196 Ų | 196 | 148 Ų | 148 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -24 | 156.4 | 150.3 | -75.2 | 175.7 | 176 | 175.2 | -1.4 | 116.9 | ||||
| 1476 | D | 25.3 | Very low | 27.1 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | cis | -163.2 | -177.2 | 16.7 | -136.2 | -45.3 | 0 | 0 | 0 | 116.1 | ||||
| 1477 | Q | 27.5 | Very low | 27.1 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | 88 | 60 | 154.3 | -74.4 | 179.1 | 59.3 | 0 | 0 | 122.8 | ||||
| 1478 | Q | 24.6 | Very low | 27.1 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 31.7 | 120 | 131.7 | -58.6 | -179.2 | -4.1 | 0 | 0 | 122.7 | K263 | K263-Q1478 PolarHBondContact NZ-O 2.91Š| ||
| 1479 | V | 26.2 | Very low | 27 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 54% | 0.539 | 74% | 0.735 | S | S | . | * | trans | -147.5 | 143.7 | 133.3 | -163.2 | 0 | 0 | 0 | 0 | 110.2 | K263 | K263-V1479 HydrophobicContact CD-CG1 4.32Å; K263-V1479 HydrophobicContact CD-CG2 4.08Å | ||
| 1480 | M | 24.9 | Very low | 27 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | -82.6 | 167.1 | -171.5 | -64.3 | -175.3 | 76.6 | 0 | 0 | 116.9 | R535 | R535-M1480 PolarHBondContact NH1-O 3.41Š| ||
| 1481 | L | 33.1 | Very low | 27.1 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | trans | -77.3 | 162.7 | 177.2 | -63.9 | 163.2 | 0 | 0 | 0 | 115.7 | R535 | R535-L1481 PolarHBondContact NH1-O 3.02Å; R535-L1481 VanDerWaalsContact NH1-O 3.1Å; R535-L1481 PolarHBondContact NH2-O 3.11Å | ||
| 1482 | P | 27.2 | Very low | 27.1 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 48% | 0.481 | 72% | 0.716 | S | S | . | * | trans | -109.1 | 160.2 | 137.5 | 38.3 | -27.5 | 0 | 0 | 0 | 111.5 | R535 | R535-P1482 HydrophobicContact CG-CG 4.13Å; R535-P1482 VanDerWaalsContact CZ-N 3.3Å; R535-P1482 VanDerWaalsContact NE-CD 3.34Å | ||
| 1483 | S | 25.4 | Very low | 27.4 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | trans | -86.3 | 139.5 | 162.7 | -47.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1484 | D | 28.6 | Very low | 28 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | -138.4 | 104.7 | 149.4 | -100.5 | -44 | 0 | 0 | 0 | 106.6 | S1486 | D1484-S1486 PolarHBondContact O-N 2.97Å; D1484-S1486 VanDerWaalsContact O-N 3.15Å | ||
| 1485 | E | 25.7 | Very low | 28.6 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 90% | 0.897 | 66% | 0.659 | S | S | * | * | trans | -84.7 | 86.1 | -171.7 | -68.8 | -171.5 | 123 | 0 | 0 | 112 | ||||
| 1486 | S | 28.6 | Very low | 29 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 65% | 0.648 | S | S | * | * | trans | -118.5 | 62.5 | 175.1 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | D1484 I1488 | D1484-S1486 PolarHBondContact O-N 2.97Å; D1484-S1486 VanDerWaalsContact O-N 3.15Å; S1486-I1488 PolarHBondContact O-N 3.42Å | ||
| 1487 | N | 26.6 | Very low | 29.6 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | trans | 43.8 | 63.1 | 161.8 | -75.8 | -86.1 | 0 | 0 | 0 | 115.8 | R1489 | N1487-R1489 PolarHBondContact O-N 2.93Š| ||
| 1488 | I | 27.2 | Very low | 29.7 | Very low | 169 Ų | 169 | 119.8 Ų | 119.8 | 87% | 0.867 | 63% | 0.625 | S | S | * | * | trans | -70.7 | 78.5 | 161.6 | -55.3 | 179.5 | 0 | 0 | 0 | 107.9 | S1486 V1490 | S1486-I1488 PolarHBondContact O-N 3.42Å; I1488-V1490 PolarHBondContact O-N 2.93Å | ||
| 1489 | R | 25.4 | Very low | 30.1 | Very low | 194 Ų | 194 | 115.5 Ų | 115.5 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | trans | -76.4 | 112.1 | 173.9 | -169.3 | 175.1 | -61.7 | -157.3 | -0.3 | 107.1 | N1487 H1491 | N1487-R1489 PolarHBondContact O-N 2.93Å; R1489-H1491 PolarHBondContact O-N 3.29Å | ||
| 1490 | V | 28.7 | Very low | 30.2 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | trans | -46 | 134.2 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | I1488 P1492 | I1488-V1490 PolarHBondContact O-N 2.93Å; V1490-P1492 WeakPolarHBondContact O-CD 3.45Å | ||
| 1491 | H | 29.8 | Very low | 30.3 | Very low | 115 Ų | 115 | 111.8 Ų | 111.8 | 53% | 0.532 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 124.7 | 179.5 | -152.8 | -73 | 0 | 0 | 0 | 108.6 | R1489 R1493 | R1489-H1491 PolarHBondContact O-N 3.29Å; H1491-R1493 PolarHBondContact O-N 3.07Å |
| 1492 | P | 27 | Very low | 29.9 | Very low | 50 Ų | 50 | 109.4 Ų | 109.4 | 33% | 0.325 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 128 | 173.8 | -22.1 | 32.7 | 0 | 0 | 0 | 108.3 | V1490 D1496 | V1490-P1492 WeakPolarHBondContact O-CD 3.45Å; P1492-D1496 HydrophobicContact CB-CB 4.37Å |
| 1493 | R | 33.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 112.5 Ų | 112.5 | 43% | 0.426 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 155.7 | 173 | -64.2 | 174.2 | 164.6 | 162.5 | -4.7 | 108.3 | H1491 Q1495 D1496 | H1491-R1493 PolarHBondContact O-N 3.07Å; R1493-Q1495 HydrophobicContact CB-CB 4.46Å; R1493-Q1495 PolarHBondContact O-N 2.93Å; R1493-D1496 WeakPolarHBondContact CB-OD2 3.46Å; R1493-D1496 PolarHBondContact N-OD2 3.22Å; R1493-D1496 PolarHBondContact O-N 3.46Å |
| 1494 | F | 38.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 43% | 0.425 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.2 | -23.7 | 171.1 | -77.9 | -87 | 0 | 0 | 0 | 112.7 | ||
| 1495 | Q | 40.9 | Very low | 29.8 | Very low | 67 Ų | 67 | 109.5 Ų | 109.5 | 31% | 0.313 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -23.4 | 175.5 | -60.5 | 177.8 | -54.7 | 0 | 0 | 114 | R1118 R1493 I1497 | R1118-Q1495 PolarHBondContact O-NE2 3.18Å; R1493-Q1495 HydrophobicContact CB-CB 4.46Å; R1493-Q1495 PolarHBondContact O-N 2.93Å; Q1495-I1497 PolarHBondContact O-N 2.84Å |
| 1496 | D | 33.3 | Very low | 29.8 | Very low | 94 Ų | 94 | 107.9 Ų | 107.9 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -82.4 | 5.2 | -174 | -57.7 | -26.6 | 0 | 0 | 0 | 113.1 | P1492 R1493 P1498 | P1492-D1496 HydrophobicContact CB-CB 4.37Å; R1493-D1496 WeakPolarHBondContact CB-OD2 3.46Å; R1493-D1496 PolarHBondContact N-OD2 3.22Å; R1493-D1496 PolarHBondContact O-N 3.46Å; D1496-P1498 WeakPolarHBondContact O-CD 3.43Å |
| 1497 | I | 39.3 | Very low | 29.6 | Very low | 47 Ų | 47 | 109 Ų | 109 | 24% | 0.241 | 63% | 0.627 | C | S | . | * | S | Bend | trans | -95.6 | 100.6 | -177.8 | -56.2 | 169.2 | 0 | 0 | 0 | 108.7 | Y922 M936 Q1495 T1499 | Y922-I1497 HydrophobicContact CD1-CD1 4.44Å; Y922-I1497 HydrophobicContact CE1-CD1 3.94Å; M936-I1497 HydrophobicContact CE-CD1 4.2Å; Q1495-I1497 PolarHBondContact O-N 2.84Å; I1497-T1499 PolarHBondContact O-N 2.81Å |
| 1498 | P | 27.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | trans | -63.9 | 113.6 | 178.8 | 26 | -34.4 | 0 | 0 | 0 | 109.9 | D1496 T1500 | D1496-P1498 WeakPolarHBondContact O-CD 3.43Å; P1498-T1500 PolarHBondContact O-N 3.05Å | ||
| 1499 | T | 33.1 | Very low | 29.7 | Very low | 71 Ų | 71 | 101.5 Ų | 101.5 | 44% | 0.436 | 61% | 0.61 | S | S | . | * | trans | -63.9 | 104.1 | 174.8 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | V1123 I1497 G1501 | V1123-T1499 HydrophobicContact CB-CG2 4.15Å; V1123-T1499 HydrophobicContact CG1-CG2 4.42Å; V1123-T1499 HydrophobicContact CG2-CG2 4Å; I1497-T1499 PolarHBondContact O-N 2.81Å; T1499-G1501 PolarHBondContact O-N 3.05Å | ||
| 1500 | T | 29.6 | Very low | 30 | Very low | 112 Ų | 112 | 102.7 Ų | 102.7 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | trans | -60.3 | 105 | 171.4 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | P1498 S1502 | P1498-T1500 PolarHBondContact O-N 3.05Å; T1500-S1502 PolarHBondContact O-N 2.85Å; T1500-S1502 VanDerWaalsContact O-N 3.14Å | ||
| 1501 | G | 25.6 | Very low | 29.9 | Very low | 68 Ų | 68 | 98.8 Ų | 98.8 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | trans | -63.5 | 113.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1499 T1503 | T1499-G1501 PolarHBondContact O-N 3.05Å; G1501-T1503 PolarHBondContact O-N 3.08Å | ||
| 1502 | S | 26.2 | Very low | 30.1 | Very low | 104 Ų | 104 | 97.3 Ų | 97.3 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | trans | -70.9 | 99.2 | 155.2 | 50.1 | 0 | 0 | 0 | 0 | 107.6 | T1500 G1504 | T1500-S1502 PolarHBondContact O-N 2.85Å; T1500-S1502 VanDerWaalsContact O-N 3.14Å; S1502-G1504 PolarHBondContact O-N 3.14Å | ||
| 1503 | T | 25.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 102.1 Ų | 102.1 | 85% | 0.853 | 62% | 0.618 | S | S | * | * | trans | -53.4 | 130.9 | 163.2 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | G1501 | G1501-T1503 PolarHBondContact O-N 3.08Š| ||
| 1504 | G | 26.2 | Very low | 30 | Very low | 70 Ų | 70 | 102 Ų | 102 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | trans | -77.9 | 161.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1502 | S1502-G1504 PolarHBondContact O-N 3.14Š| ||
| 1505 | T | 27.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 104.9 Ų | 104.9 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | trans | -149.8 | 137.7 | 134.9 | 43.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1506 | D | 24.9 | Very low | 29 | Very low | 157 Ų | 157 | 104.5 Ų | 104.5 | 84% | 0.84 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -64.2 | 153.7 | 162.6 | -88.4 | -62.3 | 0 | 0 | 0 | 111.4 | ||
| 1507 | S | 25 | Very low | 29 | Very low | 121 Ų | 121 | 105.9 Ų | 105.9 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | trans | 64.4 | 130.3 | 177.7 | 76.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1508 | G | 27.8 | Very low | 28.5 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | 171.1 | 68.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1509 | T | 27.4 | Very low | 28.7 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 42% | 0.417 | 72% | 0.72 | S | S | . | * | trans | -68.2 | 129.7 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | S856 | S856-T1509 WeakPolarHBondContact OG-CA 3.43Å; S856-T1509 VanDerWaalsContact OG-CB 3.22Å; S856-T1509 WeakPolarHBondContact OG-CB 3.45Å | ||
| 1510 | R | 32 | Very low | 28.8 | Very low | 219 Ų | 219 | 118 Ų | 118 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | 178.2 | 121.1 | 137.2 | -105.1 | 171.1 | 170.5 | -159.2 | -7 | 115.9 | ||||
| 1511 | S | 26.5 | Very low | 28.7 | Very low | 44 Ų | 44 | 118.2 Ų | 118.2 | 31% | 0.308 | 74% | 0.738 | S | S | . | * | trans | -103.2 | 113.1 | 155.7 | -74.6 | 0 | 0 | 0 | 0 | 109.9 | C854 | C854-S1511 PolarHBondContact O-OG 3.27Š| ||
| 1512 | S | 34.2 | Very low | 29.2 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 58% | 0.58 | 74% | 0.74 | S | S | * | * | trans | -164.7 | 103.2 | 163.2 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1513 | L | 26.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -104.1 | 101 | 153.8 | -83.2 | 173.3 | 0 | 0 | 0 | 107.6 | ||||
| 1514 | S | 31 | Very low | 29.8 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -109.1 | 105.4 | 174.8 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1515 | V | 28.9 | Very low | 30 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 95% | 0.952 | 74% | 0.74 | S | S | * | * | trans | -75.5 | 123.3 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1516 | G | 30.1 | Very low | 30.1 | Very low | 60 Ų | 60 | 122 Ų | 122 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | trans | -153.9 | 112.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1517 | S | 34.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | 39.8 | 110.9 | 155.2 | 50.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1518 | R | 28.1 | Very low | 30.5 | Very low | 185 Ų | 185 | 118.8 Ų | 118.8 | 70% | 0.698 | 72% | 0.721 | S | S | * | * | trans | -76.7 | 148.6 | 154.3 | -63.9 | -179.4 | 176.5 | -165.7 | -1.5 | 110.6 | S1560 | R1518-S1560 PolarHBondContact NH1-OG 3.37Å; R1518-S1560 PolarHBondContact NH2-O 3.24Å | ||
| 1519 | Q | 32.7 | Very low | 30.6 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | -158.3 | 161.1 | 126.1 | -101.5 | -169.1 | -23.6 | 0 | 0 | 109.8 | |||||
| 1520 | P | 33.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -129.6 | -174.2 | -148.9 | 43 | -28.3 | 0 | 0 | 0 | 116.9 | ||||
| 1521 | C | 29 | Very low | 30.7 | Very low | 117 Ų | 117 | 120 Ų | 120 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 79.9 | 160.2 | 166.1 | -57.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1522 | P | 35.2 | Very low | 30.9 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | cis | -128.3 | 169.5 | -48.5 | 37.6 | -24.3 | 0 | 0 | 0 | 112 | ||||
| 1523 | P | 33.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 143 | -178 | 34 | -34.3 | 0 | 0 | 0 | 113.9 | ||||
| 1524 | S | 30.3 | Very low | 30.8 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | 157.2 | 141.9 | 120 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1525 | H | 31.2 | Very low | 30.9 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 59 | 164.2 | 167 | -52.5 | -65.6 | 0 | 0 | 0 | 117.7 | ||||
| 1526 | A | 29.7 | Very low | 30.9 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | cis | -160.1 | 146.3 | -44.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1527 | S | 28.4 | Very low | 31 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | 62 | 153.2 | 160.9 | 44.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1528 | S | 30.1 | Very low | 30.8 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 59.5 | 89.2 | 150.8 | 56.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1529 | S | 29.3 | Very low | 31 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 69.4 | 152.6 | 110.1 | 67.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1530 | V | 32.9 | Very low | 30.9 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 94.1 | 117.7 | 161.6 | -172.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1531 | D | 28.1 | Very low | 30.8 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -66.3 | 144.1 | 168.4 | -73.6 | -73.7 | 0 | 0 | 0 | 113.3 | ||||
| 1532 | R | 32.4 | Very low | 30.8 | Very low | 249 Ų | 249 | 134.3 Ų | 134.3 | 94% | 0.94 | 76% | 0.762 | S | S | * | * | -178.6 | 141.6 | 125.8 | -104.5 | 168.3 | -178.4 | -163.2 | -0 | 114 | |||||
| 1533 | G | 31.2 | Very low | 30.4 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | 85 | 106 | 123.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1534 | E | 26.7 | Very low | 30.2 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -46 | 153.9 | 163.6 | -49.8 | 163.8 | 119.2 | 0 | 0 | 114.8 | ||||
| 1535 | L | 32.4 | Very low | 30.2 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | -176.7 | 167.4 | 113.3 | -98.2 | 166.7 | 0 | 0 | 0 | 114.7 | |||||
| 1536 | N | 30.4 | Very low | 29.9 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -89.4 | 155.9 | -169 | -61.8 | -80.2 | 0 | 0 | 0 | 114.9 | ||||
| 1537 | R | 31 | Very low | 30 | Very low | 234 Ų | 234 | 141.8 Ų | 141.8 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | 170.4 | 122.2 | 108.7 | -92.7 | 174.7 | 177.4 | -179.6 | 0.2 | 117.2 | |||||
| 1538 | S | 30.6 | Very low | 30 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 62 | 143.6 | 123 | -50.8 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1539 | S | 32 | Very low | 29.9 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 71.6 | 149.2 | 146.6 | 55.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1540 | S | 30 | Very low | 29.9 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | cis | -171.6 | 159.2 | -15.9 | -96.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1541 | Q | 32.2 | Very low | 29.6 | Very low | 164 Ų | 164 | 156 Ų | 156 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | 65.2 | 156.4 | 153.4 | -72.9 | 172.4 | -83.9 | 0 | 0 | 119.2 | ||||
| 1542 | E | 28.5 | Very low | 29.6 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 56% | 0.556 | 78% | 0.775 | S | S | * | * | cis | -159.9 | 161.6 | -24.7 | -123.2 | -177.9 | 121.4 | 0 | 0 | 112.7 | ||||
| 1543 | R | 27.8 | Very low | 29.3 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 61.2 | 119.2 | 147.3 | -71.3 | -170.9 | -163.7 | -137.5 | -3.5 | 125.2 | ||||
| 1544 | Q | 29.1 | Very low | 29.1 | Very low | 140 Ų | 140 | 157.3 Ų | 157.3 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | 87.8 | 112.9 | 116.8 | -72.1 | -173.6 | 4.5 | 0 | 0 | 124.5 | |||||
| 1545 | N | 29.4 | Very low | 29.1 | Very low | 115 Ų | 115 | 159.9 Ų | 159.9 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | 95.1 | 139.6 | 114.3 | -74.5 | -12.7 | 0 | 0 | 0 | 124.6 | |||||
| 1546 | Y | 26.2 | Very low | 29.1 | Very low | 225 Ų | 225 | 156.9 Ų | 156.9 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | 62.1 | 135.9 | 155.6 | -67.1 | -59.5 | 0 | 0 | 0 | 121.5 | ||||
| 1547 | G | 31.5 | Very low | 29 | Very low | 81 Ų | 81 | 159.3 Ų | 159.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 167.1 | 95.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1548 | R | 27.6 | Very low | 29 | Very low | 238 Ų | 238 | 152.9 Ų | 152.9 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -76 | 136.7 | -173.6 | -113 | -175.7 | -176.1 | 174.8 | 0.8 | 114.7 | ||||
| 1549 | T | 27.9 | Very low | 28.8 | Very low | 104 Ų | 104 | 157 Ų | 157 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | trans | 33.7 | 127.1 | 137.7 | 58.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1550 | H | 29.5 | Very low | 28.6 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | -172.4 | 168.7 | 100.5 | -116.1 | -98.2 | 0 | 0 | 0 | 114 | |||||
| 1551 | R | 26.5 | Very low | 28.6 | Very low | 231 Ų | 231 | 161.9 Ų | 161.9 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 141 | 172.5 | -67.2 | 173.6 | 170.8 | 169.9 | -3.9 | 111.5 | ||||
| 1552 | L | 28 | Very low | 28.4 | Very low | 165 Ų | 165 | 161.8 Ų | 161.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | -173.3 | 120.4 | 128.3 | -104 | 165.4 | 0 | 0 | 0 | 114.5 | |||||
| 1553 | S | 26.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 164.2 Ų | 164.2 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | 17.6 | 112.9 | 137.1 | -167 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1554 | R | 28.5 | Very low | 28.4 | Very low | 237 Ų | 237 | 162.8 Ų | 162.8 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | -175.3 | 167.2 | 108.1 | -99.6 | 168.7 | -173.3 | -159.3 | 1.7 | 114.4 | |||||
| 1555 | R | 26.5 | Very low | 28.3 | Very low | 239 Ų | 239 | 164.3 Ų | 164.3 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -39.5 | 147.3 | 168.3 | -56.6 | 167.5 | 178 | 175.6 | -4 | 111.5 | ||||
| 1556 | S | 31.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 167.5 Ų | 167.5 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | -169.2 | 135.2 | 68.6 | 53.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 1557 | H | 29.1 | Very low | 28.4 | Very low | 189 Ų | 189 | 163.4 Ų | 163.4 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | trans | 62.5 | 162 | 149.9 | -72.5 | -69.6 | 0 | 0 | 0 | 120.8 | ||||
| 1558 | P | 30.3 | Very low | 28.2 | Very low | 98 Ų | 98 | 169.8 Ų | 169.8 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | trans | -121.1 | -162 | -157 | 43 | -28.5 | 0 | 0 | 0 | 114.4 | ||||
| 1559 | F | 25.5 | Very low | 28.2 | Very low | 186 Ų | 186 | 164.1 Ų | 164.1 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | 90.9 | 94.2 | 177.1 | -66 | -76.8 | 0 | 0 | 0 | 117.7 | ||||
| 1560 | S | 28.9 | Very low | 28.3 | Very low | 145 Ų | 145 | 169.5 Ų | 169.5 | 100% | 1.014 | 83% | 0.825 | S | S | * | * | -157.4 | 0 | 112.5 | 45.8 | 0 | 0 | 0 | 0 | 110.3 | R1518 | R1518-S1560 PolarHBondContact NH1-OG 3.37Å; R1518-S1560 PolarHBondContact NH2-O 3.24Å |
Retrieved 1,560 of 1,560 residues in 1419.1 ms
(Link to these results)