| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.5 | Very low | 44.9 | Very low | 231 Ų | 231 | 142.5 Ų | 142.5 | 100% | 1.138 | 71% | 0.712 | S | S | * | * | 0 | 99.6 | 0 | -84.5 | 176.2 | 167.7 | 0 | 0 | 105.1 | |||||
| 2 | E | 38 | Very low | 44.7 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 126.7 | -167.5 | -63 | -51.8 | 100.8 | 0 | 0 | 111.9 | ||
| 3 | P | 44.4 | Very low | 44.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 136.1 | 170.9 | 30.5 | -32.6 | 0 | 0 | 0 | 110.6 | ||
| 4 | S | 43.6 | Very low | 44.2 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 52% | 0.517 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -70 | 135.6 | -175 | 177.9 | 0 | 0 | 0 | 0 | 113.4 | S6 T7 | S4-S6 WeakPolarHBondContact CB-OG 3.36Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact OG-N 3.03Å; S4-S6 PolarHBondContact OG-OG 3.28Å; S4-T7 PolarHBondContact O-N 3.26Å; S4-T7 VanDerWaalsContact O-N 3.15Å; S4-T7 PolarHBondContact O-OG1 3.29Å |
| 5 | W | 45.1 | Very low | 44.1 | Very low | 226 Ų | 226 | 132.7 Ų | 132.7 | 86% | 0.856 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -15.8 | 172.2 | -80.8 | 72.3 | 0 | 0 | 0 | 114.3 | T7 | W5-T7 PolarHBondContact O-N 3.39Š|
| 6 | S | 47.7 | Very low | 43.8 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 51% | 0.51 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -58.6 | -30.4 | 172.9 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | S4 | S4-S6 WeakPolarHBondContact CB-OG 3.36Å; S4-S6 PolarHBondContact O-N 3.15Å; S4-S6 PolarHBondContact OG-N 3.03Å; S4-S6 PolarHBondContact OG-OG 3.28Å |
| 7 | T | 51.6 | Low | 43.6 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 58% | 0.577 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.5 | -38.9 | -174.3 | -47.3 | 0 | 0 | 0 | 0 | 112 | S4 W5 L9 F10 Q11 | S4-T7 PolarHBondContact O-N 3.26Å; S4-T7 VanDerWaalsContact O-N 3.15Å; S4-T7 PolarHBondContact O-OG1 3.29Å; W5-T7 PolarHBondContact O-N 3.39Å; T7-L9 PolarHBondContact O-N 3.38Å; T7-F10 PolarHBondContact O-N 3.24Å; T7-Q11 PolarHBondContact O-N 3.48Å |
| 8 | F | 44.8 | Very low | 43.4 | Very low | 168 Ų | 168 | 132 Ų | 132 | 74% | 0.737 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66 | -39.4 | -176.4 | -126.3 | -86.5 | 0 | 0 | 0 | 112.6 | F10 Q11 Q12 | F8-F10 VanDerWaalsContact C-N 3.33Å; F8-F10 PolarHBondContact O-N 3.21Å; F8-Q11 PolarHBondContact O-N 3.28Å; F8-Q12 PolarHBondContact O-N 3.47Å |
| 9 | L | 47.5 | Very low | 43.3 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -71.9 | -25.9 | 178.5 | -67.4 | 173.1 | 0 | 0 | 0 | 112.9 | T7 A13 | T7-L9 PolarHBondContact O-N 3.38Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å |
| 10 | F | 45.8 | Very low | 43 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 75% | 0.746 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77 | -35.9 | 175.7 | -126.1 | -84.8 | 0 | 0 | 0 | 112.3 | T7 F8 N14 | T7-F10 PolarHBondContact O-N 3.24Å; F8-F10 VanDerWaalsContact C-N 3.33Å; F8-F10 PolarHBondContact O-N 3.21Å; F10-N14 PolarHBondContact O-N 2.75Å |
| 11 | Q | 44.4 | Very low | 42.9 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 54% | 0.537 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -63.1 | -53.6 | 177.6 | -167.2 | 66 | 34.8 | 0 | 0 | 111.3 | T7 F8 A13 N14 E15 | T7-Q11 PolarHBondContact O-N 3.48Å; F8-Q11 PolarHBondContact O-N 3.28Å; Q11-A13 VanDerWaalsContact C-N 3.25Å; Q11-A13 PolarHBondContact O-N 3.5Å; Q11-N14 PolarHBondContact O-N 3.49Å; Q11-E15 PolarHBondContact O-N 3.28Å |
| 12 | Q | 43.4 | Very low | 42.6 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.4 | -27 | -177.4 | -174 | 168 | 86.8 | 0 | 0 | 113.4 | F8 N14 | F8-Q12 PolarHBondContact O-N 3.47Å; Q12-N14 VanDerWaalsContact C-N 3.35Å |
| 13 | A | 41.4 | Very low | 42.2 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 52% | 0.521 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -72.2 | -26.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L9 Q11 | L9-A13 WeakPolarHBondContact O-CB 3.49Å; Q11-A13 VanDerWaalsContact C-N 3.25Å; Q11-A13 PolarHBondContact O-N 3.5Å |
| 14 | N | 39.9 | Very low | 41.5 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 56% | 0.556 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -85.8 | -35.9 | -174.5 | -143.4 | 30.4 | 0 | 0 | 0 | 112.1 | F10 Q11 Q12 A16 L17 | F10-N14 PolarHBondContact O-N 2.75Å; Q11-N14 PolarHBondContact O-N 3.49Å; Q12-N14 VanDerWaalsContact C-N 3.35Å; N14-A16 VanDerWaalsContact C-N 3.33Å; N14-A16 PolarHBondContact O-N 3.29Å; N14-L17 PolarHBondContact O-N 3.46Å |
| 15 | E | 42.6 | Very low | 41 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -67 | -34 | 178.4 | -67.1 | 177.3 | 106.3 | 0 | 0 | 112.3 | Q11 L17 H18 | Q11-E15 PolarHBondContact O-N 3.28Å; E15-L17 PolarHBondContact O-N 3.18Å; E15-H18 PolarHBondContact O-N 3.03Å |
| 16 | A | 40.4 | Very low | 40.3 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -63.4 | -19.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N14 | N14-A16 VanDerWaalsContact C-N 3.33Å; N14-A16 PolarHBondContact O-N 3.29Å |
| 17 | L | 39.1 | Very low | 39.4 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -89.9 | -20.3 | -179.9 | -101.5 | 163.4 | 0 | 0 | 0 | 113.9 | N14 E15 | N14-L17 PolarHBondContact O-N 3.46Å; E15-L17 PolarHBondContact O-N 3.18Å |
| 18 | H | 40.7 | Very low | 38.4 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -88.2 | -16.5 | -174.5 | -108.7 | -86.5 | 0 | 0 | 0 | 114.5 | E15 Q20 | E15-H18 PolarHBondContact O-N 3.03Å; H18-Q20 PolarHBondContact O-N 3.47Å |
| 19 | H | 41 | Very low | 38 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -2 | -161.1 | -120.6 | -61.5 | 0 | 0 | 0 | 117.1 | ||
| 20 | Q | 38.6 | Very low | 38.1 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 11.9 | -172.2 | -139.7 | -164.2 | -83.5 | 0 | 0 | 115.5 | H18 | H18-Q20 PolarHBondContact O-N 3.47Š|
| 21 | H | 40.3 | Very low | 37.3 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -141.7 | 51.5 | -171.4 | -115.5 | -102.8 | 0 | 0 | 0 | 114.3 | ||
| 22 | Q | 33.4 | Very low | 36.5 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -160.1 | 89.2 | 168.6 | -123.5 | 161.7 | 101.1 | 0 | 0 | 116 | ||||
| 23 | V | 30.7 | Very low | 35.7 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -151.5 | 120.9 | 151.1 | -175.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 24 | A | 28.8 | Very low | 35.1 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | -139.3 | 161 | -9.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 25 | Q | 33.2 | Very low | 34.4 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -101.6 | 137.4 | 168 | -82.6 | -95 | -22.4 | 0 | 0 | 109.3 | ||||
| 26 | N | 30 | Very low | 33.8 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 163.3 | 130.1 | 159.5 | -86.6 | -23 | 0 | 0 | 0 | 107.8 | ||||
| 27 | S | 29.5 | Very low | 33.2 | Very low | 102 Ų | 102 | 146 Ų | 146 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | cis | -149.9 | 156.1 | -7.7 | -71.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 28 | L | 29.8 | Very low | 32.7 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -3.6 | 127.5 | 160.1 | -61.5 | 170 | 0 | 0 | 0 | 120 | ||||
| 29 | L | 37.5 | Very low | 32.1 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -61.9 | 167.3 | 146.1 | -78.8 | 170.4 | 0 | 0 | 0 | 110.7 | ||||
| 30 | P | 49.1 | Very low | 31.4 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | cis | -145.1 | -177.9 | 27.9 | 43.3 | -24.2 | 0 | 0 | 0 | 117.1 | ||||
| 31 | L | 28.4 | Very low | 30.9 | Very low | 158 Ų | 158 | 144 Ų | 144 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | -171.7 | 172.3 | 118.3 | -101.5 | 170.9 | 0 | 0 | 0 | 113.4 | |||||
| 32 | L | 27.8 | Very low | 30.3 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -97.1 | 154.8 | -160.3 | -64.3 | 149.8 | 0 | 0 | 0 | 115 | ||||
| 33 | N | 28.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | 128.7 | 158.7 | 120.9 | -150 | 22.5 | 0 | 0 | 0 | 117.7 | |||||
| 34 | A | 28.2 | Very low | 30.3 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -73 | 164.3 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 35 | G | 25.8 | Very low | 30.4 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -168.9 | 131.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 36 | A | 29.3 | Very low | 30.7 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -82.1 | 153.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 37 | E | 26.7 | Very low | 30.8 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | 66.7 | 176.7 | 142 | -71.6 | -171.2 | 98.7 | 0 | 0 | 122.3 | ||||
| 38 | Q | 28.5 | Very low | 30.6 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -110.7 | 168.3 | -164.1 | -52.7 | 176.3 | 5.8 | 0 | 0 | 111.2 | ||||
| 39 | V | 29.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -171.8 | 134.9 | 130.2 | 138.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 40 | D | 25.2 | Very low | 30.2 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 65% | 0.652 | 79% | 0.786 | S | S | * | * | trans | 53.2 | 144.5 | 154.4 | -82.3 | -133.4 | 0 | 0 | 0 | 128.6 | ||||
| 41 | Q | 29.6 | Very low | 29.3 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | 73.4 | 101.1 | 141.7 | -73.2 | 170.2 | 64.7 | 0 | 0 | 122.2 | ||||
| 42 | K | 26.7 | Very low | 29.2 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -66.3 | 169.6 | 142.9 | -96.6 | -177.8 | 176.6 | 177.3 | 0 | 111.1 | ||||
| 43 | P | 33.9 | Very low | 30 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -131.9 | 162.4 | 13.5 | 39.3 | -23.1 | 0 | 0 | 0 | 117 | ||||
| 44 | V | 30.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -91.4 | 136.8 | 159.1 | 173.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 45 | L | 31.3 | Very low | 30.7 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -132.3 | 136.1 | 167 | -92.2 | 175.1 | 0 | 0 | 0 | 111.3 | ||||
| 46 | P | 39.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -116.5 | 148.4 | -177.8 | 39.9 | -31.7 | 0 | 0 | 0 | 115.6 | ||||
| 47 | I | 31.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -167.4 | 160.3 | 164.3 | 29.4 | 169.6 | 0 | 0 | 0 | 107.2 | ||||
| 48 | Q | 26.1 | Very low | 30.6 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -122 | 175.5 | 2.1 | -65.4 | -69.6 | 21.7 | 0 | 0 | 109.4 | ||||
| 49 | I | 34.7 | Very low | 30.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 64% | 0.641 | 77% | 0.767 | S | S | * | * | cis | 77.7 | 70.4 | 4.1 | -42.1 | -174.7 | 0 | 0 | 0 | 117.6 | ||||
| 50 | D | 24.4 | Very low | 30.6 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -86.1 | 164 | 164.2 | -153.6 | -87.3 | 0 | 0 | 0 | 112.8 | ||||
| 51 | Q | 29.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 65% | 0.654 | 76% | 0.763 | S | S | * | * | trans | -150.7 | 126.7 | -151.3 | -99.7 | -169.6 | 88.6 | 0 | 0 | 117.5 | ||||
| 52 | K | 25.8 | Very low | 30.9 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | trans | 77 | 179.7 | 135.8 | -104.6 | -163.4 | 142.9 | -172.2 | 0 | 118.3 | ||||
| 53 | P | 45.2 | Very low | 30.9 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | trans | -124.8 | -147.4 | -148.2 | 33.5 | -6.8 | 0 | 0 | 0 | 112.1 | ||||
| 54 | P | 40.2 | Very low | 30.7 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | -146.7 | -164.2 | 90.5 | 40.3 | -22.8 | 0 | 0 | 0 | 114.9 | |||||
| 55 | V | 30.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -120.4 | 158.8 | 179.6 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 56 | S | 25.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -156.8 | 179.2 | 148.8 | -160.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 57 | A | 27.1 | Very low | 30.3 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -140.9 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 58 | A | 27.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 96.2 | 155.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 59 | E | 28 | Very low | 30.3 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 94.3 | 122.5 | 157 | -68.2 | -111.2 | 83 | 0 | 0 | 122.2 | ||||
| 60 | L | 30 | Very low | 30 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 77.7 | 92.2 | 144.3 | -58.5 | 169.2 | 0 | 0 | 0 | 123.6 | ||||
| 61 | L | 30.3 | Very low | 30.3 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | 61.9 | 127.2 | 120.7 | -65 | 179.1 | 0 | 0 | 0 | 123.5 | |||||
| 62 | K | 30 | Very low | 30.5 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 74% | 0.735 | 80% | 0.801 | S | S | * | * | trans | 69.1 | 149.2 | 144.5 | -68.8 | 176.7 | -179 | 179.3 | 0 | 116.6 | ||||
| 63 | D | 28.4 | Very low | 31 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | cis | -126.9 | 173.2 | 28.8 | -94.2 | -48.4 | 0 | 0 | 0 | 116.7 | ||||
| 64 | N | 29.7 | Very low | 30.5 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -106.1 | 144.6 | 170.8 | -66.7 | -80.5 | 0 | 0 | 0 | 111.1 | ||||
| 65 | V | 30.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 131 Ų | 131 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -138.8 | 146.7 | 148.7 | 83 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 66 | A | 28.9 | Very low | 30.5 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -101.1 | 154.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 67 | S | 32.8 | Very low | 30.9 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -162.3 | 139.3 | 125.8 | -84 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 68 | G | 29.2 | Very low | 31 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -87 | -174.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 69 | G | 28.3 | Very low | 31.4 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 136.8 | 82.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 70 | G | 28.8 | Very low | 31.6 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -86.5 | 137 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 71 | Q | 30.8 | Very low | 31.6 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -159.7 | 122.4 | 143.9 | -113.6 | 163.9 | 96.8 | 0 | 0 | 112.4 | ||||
| 72 | R | 33.3 | Very low | 32.1 | Very low | 231 Ų | 231 | 138.1 Ų | 138.1 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | 25.4 | 110.8 | 154.4 | -170.1 | 179.7 | -177.4 | -168.1 | 2.3 | 117.6 | ||||
| 73 | P | 36.3 | Very low | 32.6 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 142.7 | 177.2 | 28.7 | -35 | 0 | 0 | 0 | 111.9 | ||
| 74 | P | 34.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135 | 168.9 | 29 | -33.4 | 0 | 0 | 0 | 109.3 | P76 | P74-P76 WeakPolarHBondContact O-CD 3.36Å; P74-P76 VanDerWaalsContact O-N 3.16Å |
| 75 | V | 38.1 | Very low | 34.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60 | 119.2 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | V77 | V75-V77 PolarHBondContact O-N 3.49Š|
| 76 | P | 32.2 | Very low | 36 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 112 | 175.8 | -20.6 | 33.5 | 0 | 0 | 0 | 108.5 | P74 I78 | P74-P76 WeakPolarHBondContact O-CD 3.36Å; P74-P76 VanDerWaalsContact O-N 3.16Å; P76-I78 PolarHBondContact O-N 2.96Å | ||
| 77 | V | 33.9 | Very low | 37.9 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -64.3 | 97.6 | 164.4 | 175.2 | 0 | 0 | 0 | 0 | 105.8 | V75 K79 | V75-V77 PolarHBondContact O-N 3.49Å; V77-K79 PolarHBondContact O-N 3.32Å | ||
| 78 | I | 29.7 | Very low | 39.8 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | trans | -64.3 | 90.4 | 174.4 | -57.8 | 176.1 | 0 | 0 | 0 | 106.4 | P76 K80 | P76-I78 PolarHBondContact O-N 2.96Å; I78-K80 HydrophobicContact CG2-CB 4.22Å; I78-K80 PolarHBondContact O-N 3.14Å | ||
| 79 | K | 34.8 | Very low | 42.3 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 83% | 0.83 | 69% | 0.694 | S | S | * | * | trans | -53.8 | 93.4 | 150.3 | -78 | -179 | 178.8 | 173.5 | 0 | 104.5 | V77 E81 | V77-K79 PolarHBondContact O-N 3.32Å; K79-E81 PolarHBondContact O-N 3.09Å | ||
| 80 | K | 32.1 | Very low | 45 | Very low | 167 Ų | 167 | 123.2 Ų | 123.2 | 73% | 0.726 | 65% | 0.654 | S | S | * | * | trans | -73.3 | 75.3 | -179.7 | -164.2 | 171.6 | -170.7 | 169 | 0 | 106.9 | I78 H82 | I78-K80 HydrophobicContact CG2-CB 4.22Å; I78-K80 PolarHBondContact O-N 3.14Å; K80-H82 PolarHBondContact O-CD2 2.85Å; K80-H82 PolarHBondContact O-N 3.3Å | ||
| 81 | E | 30.5 | Very low | 47.4 | Very low | 145 Ų | 145 | 123.1 Ų | 123.1 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | trans | -49.7 | 111.3 | 172.1 | -174.3 | -173.9 | 118.5 | 0 | 0 | 105.8 | K79 K83 | K79-E81 PolarHBondContact O-N 3.09Å; E81-K83 PolarHBondContact O-N 3.13Å | ||
| 82 | H | 40.7 | Very low | 49.7 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 72% | 0.718 | 64% | 0.639 | S | S | * | * | trans | -72.5 | 74.6 | 173.4 | -88.3 | -96.5 | 0 | 0 | 0 | 106.8 | K80 G84 | K80-H82 PolarHBondContact O-CD2 2.85Å; K80-H82 PolarHBondContact O-N 3.3Å; H82-G84 VanDerWaalsContact C-N 3.27Å; H82-G84 WeakPolarHBondContact O-CA 3.45Å; H82-G84 PolarHBondContact O-N 3.42Å | ||
| 83 | K | 40.1 | Very low | 52.1 | Low | 163 Ų | 163 | 112.3 Ų | 112.3 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | trans | -58.3 | 96.1 | 176.1 | -169 | 140.1 | -169.4 | 157.8 | 0 | 106.7 | E81 K85 | E81-K83 PolarHBondContact O-N 3.13Å; K83-K85 PolarHBondContact O-N 3.4Å | ||
| 84 | G | 47.8 | Very low | 54.2 | Low | 60 Ų | 60 | 113 Ų | 113 | 62% | 0.619 | 61% | 0.609 | S | S | * | * | trans | -76.2 | 67.6 | -159.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H82 T86 | H82-G84 VanDerWaalsContact C-N 3.27Å; H82-G84 WeakPolarHBondContact O-CA 3.45Å; H82-G84 PolarHBondContact O-N 3.42Å; G84-T86 PolarHBondContact O-N 2.96Å; G84-T86 PolarHBondContact O-OG1 3.17Å | ||
| 85 | K | 55 | Low | 56.5 | Low | 188 Ų | 188 | 113 Ų | 113 | 82% | 0.817 | 60% | 0.597 | S | S | * | * | trans | -59.4 | 84.5 | 163.6 | -62.9 | -172.2 | -177.7 | -173.2 | 0 | 107.2 | K83 P87 | K83-K85 PolarHBondContact O-N 3.4Å; K85-P87 WeakPolarHBondContact O-CD 3.41Å; K85-P87 WeakPolarHBondContact O-CG 3.48Å | ||
| 86 | T | 57.8 | Low | 58.8 | Low | 51 Ų | 51 | 109.4 Ų | 109.4 | 31% | 0.313 | 58% | 0.58 | S | S | . | * | trans | -85.7 | 93.6 | 174.1 | 32.2 | 0 | 0 | 0 | 0 | 105.2 | G84 F88 F97 R98 | G84-T86 PolarHBondContact O-N 2.96Å; G84-T86 PolarHBondContact O-OG1 3.17Å; T86-F88 PolarHBondContact O-N 3.18Å; T86-F97 WeakPolarHBondContact CA-O 3.44Å; T86-F97 VanDerWaalsContact CB-O 3.28Å; T86-F97 WeakPolarHBondContact CB-O 3.44Å; T86-R98 HydrophobicContact CG2-CG 4.17Å | ||
| 87 | P | 68.4 | Low | 61.2 | Low | 89 Ų | 89 | 106.3 Ų | 106.3 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | trans | -75.7 | 0.2 | -162.8 | -12.9 | 30.6 | 0 | 0 | 0 | 113.2 | K85 | K85-P87 WeakPolarHBondContact O-CD 3.41Å; K85-P87 WeakPolarHBondContact O-CG 3.48Å | ||
| 88 | F | 73.6 | Confident | 63.6 | Low | 70 Ų | 70 | 109.5 Ų | 109.5 | 31% | 0.307 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.5 | 93.1 | -162.8 | -58.9 | -62.8 | 0 | 0 | 0 | 108.8 | T86 F97 D99 S100 L103 | T86-F88 PolarHBondContact O-N 3.18Å; F88-F97 HydrophobicContact CB-CB 4.43Å; F88-F97 PolarHBondContact O-N 2.86Å; F88-D99 VanDerWaalsContact CD2-CA 3.44Å; F88-S100 VanDerWaalsContact CD2-N 3.33Å; F88-L103 HydrophobicContact CB-CB 3.89Å; F88-L103 HydrophobicContact CB-CD2 3.66Å; F88-L103 HydrophobicContact CB-CG 4.34Å; F88-L103 HydrophobicContact CD1-CD2 4.39Å; F88-L103 HydrophobicContact CG-CD2 4.46Å |
| 89 | V | 80.9 | Confident | 66 | Low | 75 Ų | 75 | 105.6 Ų | 105.6 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.4 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | G91 N94 A96 | V89-G91 PolarHBondContact O-N 3.28Å; V89-N94 HydrophobicContact CG1-CB 4.37Å; V89-A96 HydrophobicContact CG2-CB 4.09Å |
| 90 | C | 84.4 | Confident | 68.1 | Low | 0 Ų | 0 | 99.5 Ų | 99.5 | 0% | 0 | 52% | 0.515 | C | S | . | . | trans | -83.1 | 113.8 | -179.3 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | Y92 C93 N94 K95 F97 L103 H110 | C90-Y92 PolarHBondContact O-N 3.26Å; C90-C93 PolarHBondContact O-N 2.87Å; C90-C93 VanDerWaalsContact O-N 3.08Å; C90-N94 WeakPolarHBondContact O-CA 3.17Å; C90-N94 PolarHBondContact O-N 3.25Å; C90-K95 PolarHBondContact N-O 3.32Å; C90-F97 HydrophobicContact CB-CE2 4.17Å; C90-L103 HydrophobicContact CB-CD1 3.5Å; C90-L103 VanDerWaalsContact CB-CD1 3.5Å; C90-H110 VanDerWaalsContact SG-CD2 3.56Å | ||
| 91 | G | 79.9 | Confident | 70.5 | Confident | 68 Ų | 68 | 98.3 Ų | 98.3 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | V89 | V89-G91 PolarHBondContact O-N 3.28Š|
| 92 | Y | 79.8 | Confident | 73 | Confident | 157 Ų | 157 | 96 Ų | 96 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -17.3 | 177.9 | -62.6 | -79.8 | 0 | 0 | 0 | 114.4 | C90 H110 | C90-Y92 PolarHBondContact O-N 3.26Å; Y92-H110 HydrophobicContact CD1-CB 4.41Å; Y92-H110 HydrophobicContact CD2-CB 4.15Å; Y92-H110 HydrophobicContact CG-CB 3.97Å |
| 93 | C | 83.9 | Confident | 75.1 | Confident | 41 Ų | 41 | 89.5 Ų | 89.5 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.6 | 8 | -172.2 | 71.6 | 0 | 0 | 0 | 0 | 115.8 | C90 K95 H106 H110 | C90-C93 PolarHBondContact O-N 2.87Å; C90-C93 VanDerWaalsContact O-N 3.08Å; C93-K95 PolarHBondContact O-N 3.46Å; C93-K95 VanDerWaalsContact SG-CG 3.56Å; C93-H106 PolarHBondContact SG-NE2 2.99Å; C93-H110 PolarHBondContact SG-NE2 3Å |
| 94 | N | 79.9 | Confident | 77 | Confident | 127 Ų | 127 | 89.3 Ų | 89.3 | 68% | 0.679 | 46% | 0.462 | S | S | * | . | trans | 52.1 | 21.8 | -179 | -64.6 | -31.5 | 0 | 0 | 0 | 116.3 | V89 C90 | V89-N94 HydrophobicContact CG1-CB 4.37Å; C90-N94 WeakPolarHBondContact O-CA 3.17Å; C90-N94 PolarHBondContact O-N 3.25Å | ||
| 95 | K | 83.3 | Confident | 78.6 | Confident | 119 Ų | 119 | 93.7 Ų | 93.7 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | trans | -74.3 | 130.5 | 171.5 | -65.7 | -177.4 | -161 | -51.6 | 0 | 110.2 | C90 C93 F97 | C90-K95 PolarHBondContact N-O 3.32Å; C93-K95 PolarHBondContact O-N 3.46Å; C93-K95 VanDerWaalsContact SG-CG 3.56Å; K95-F97 HydrophobicContact CB-CE2 3.72Å; K95-F97 HydrophobicContact CB-CZ 3.94Å; K95-F97 VanDerWaalsContact O-CD2 3.31Å; K95-F97 WeakPolarHBondContact O-CD2 3.32Å; K95-F97 WeakPolarHBondContact O-CE2 3.45Å | ||
| 96 | A | 85.1 | Confident | 80 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 44% | 0.438 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 | V89-A96 HydrophobicContact CG2-CB 4.09Å |
| 97 | F | 83.4 | Confident | 81.1 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 18% | 0.184 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.9 | -175.1 | -64.5 | -85.9 | 0 | 0 | 0 | 111.8 | T86 F88 C90 K95 H102 L103 H106 | T86-F97 WeakPolarHBondContact CA-O 3.44Å; T86-F97 VanDerWaalsContact CB-O 3.28Å; T86-F97 WeakPolarHBondContact CB-O 3.44Å; F88-F97 HydrophobicContact CB-CB 4.43Å; F88-F97 PolarHBondContact O-N 2.86Å; C90-F97 HydrophobicContact CB-CE2 4.17Å; K95-F97 HydrophobicContact CB-CE2 3.72Å; K95-F97 HydrophobicContact CB-CZ 3.94Å; K95-F97 VanDerWaalsContact O-CD2 3.31Å; K95-F97 WeakPolarHBondContact O-CD2 3.32Å; K95-F97 WeakPolarHBondContact O-CE2 3.45Å; F97-H102 HydrophobicContact CB-CB 4.4Å; F97-H102 HydrophobicContact CD1-CB 3.98Å; F97-L103 HydrophobicContact CB-CB 4.14Å; F97-L103 HydrophobicContact CD2-CB 4.14Å; F97-L103 HydrophobicContact CD2-CD1 3.83Å; F97-L103 HydrophobicContact CE2-CD1 4.25Å; F97-L103 HydrophobicContact CG-CB 4.28Å; F97-H106 HydrophobicContact CE1-CB 3.93Å; F97-H106 HydrophobicContact CE2-CB 3.87Å; F97-H106 AromaticContact CE2-CD2 3.39Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.06Å; F97-H106 AromaticContact CE2-CG 3.78Å; F97-H106 HydrophobicContact CZ-CB 3.45Å; F97-H106 VanDerWaalsContact CZ-CB 3.45Å; F97-H106 AromaticContact CZ-CD2 3.31Å; F97-H106 WeakPolarHBondContact CZ-CD2 3.44Å; F97-H106 AromaticContact CZ-CG 3.3Å |
| 98 | R | 84.2 | Confident | 81.6 | Confident | 200 Ų | 200 | 83.6 Ų | 83.6 | 76% | 0.755 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -78 | -21.1 | -177.1 | -63.8 | -164.2 | 67.5 | 169.7 | -0.1 | 114 | T86 | T86-R98 HydrophobicContact CG2-CG 4.17Š|
| 99 | D | 79.9 | Confident | 81.8 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 31% | 0.305 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -149.8 | 163.4 | 177 | 62.5 | 63.2 | 0 | 0 | 0 | 110.9 | F88 Y101 H102 L103 | F88-D99 VanDerWaalsContact CD2-CA 3.44Å; D99-Y101 VanDerWaalsContact C-N 3.27Å; D99-Y101 PolarHBondContact O-N 2.82Å; D99-Y101 WeakPolarHBondContact OD1-CA 3.29Å; D99-Y101 WeakPolarHBondContact OD1-CB 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.38Å; D99-H102 IonicContact OD1-CG 3.85Å; D99-H102 PolarHBondContact OD1-N 3.41Å; D99-H102 IonicContact OD1-ND1 3.91Å; D99-H102 PolarHBondContact OD1-ND1 3.42Å; D99-H102 IonicContact OD2-CE1 3.45Å; D99-H102 PolarHBondContact OD2-CE1 3.18Å; D99-H102 IonicContact OD2-CG 3.47Å; D99-H102 IonicContact OD2-ND1 2.69Å; D99-H102 PolarHBondContact OD2-ND1 2.98Å; D99-L103 PolarHBondContact O-N 2.89Å |
| 100 | S | 79.3 | Confident | 81.7 | Confident | 62 Ų | 62 | 84.3 Ų | 84.3 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.5 | -17.7 | -177.9 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | F88 R104 | F88-S100 VanDerWaalsContact CD2-N 3.33Å; S100-R104 WeakPolarHBondContact O-CB 3.44Å; S100-R104 PolarHBondContact O-N 3.42Å |
| 101 | Y | 82.3 | Confident | 81.2 | Confident | 142 Ų | 142 | 87.5 Ų | 87.5 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -74.8 | -44.5 | 176.2 | 172.2 | -95.2 | 0 | 0 | 0 | 111 | D99 R104 R105 | D99-Y101 VanDerWaalsContact C-N 3.27Å; D99-Y101 PolarHBondContact O-N 2.82Å; D99-Y101 WeakPolarHBondContact OD1-CA 3.29Å; D99-Y101 WeakPolarHBondContact OD1-CB 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.38Å; Y101-R104 PolarHBondContact O-N 2.72Å; Y101-R105 VanDerWaalsContact O-CB 3.26Å; Y101-R105 WeakPolarHBondContact O-CB 2.99Å; Y101-R105 PolarHBondContact O-N 3.35Å |
| 102 | H | 83.6 | Confident | 80.2 | Confident | 97 Ų | 97 | 87 Ų | 87 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 174.6 | -71 | 93.5 | 0 | 0 | 0 | 111.9 | F97 D99 H106 | F97-H102 HydrophobicContact CB-CB 4.4Å; F97-H102 HydrophobicContact CD1-CB 3.98Å; D99-H102 IonicContact OD1-CG 3.85Å; D99-H102 PolarHBondContact OD1-N 3.41Å; D99-H102 IonicContact OD1-ND1 3.91Å; D99-H102 PolarHBondContact OD1-ND1 3.42Å; D99-H102 IonicContact OD2-CE1 3.45Å; D99-H102 PolarHBondContact OD2-CE1 3.18Å; D99-H102 IonicContact OD2-CG 3.47Å; D99-H102 IonicContact OD2-ND1 2.69Å; D99-H102 PolarHBondContact OD2-ND1 2.98Å; H102-H106 WeakPolarHBondContact O-CB 3.14Å; H102-H106 PolarHBondContact O-N 3.3Å |
| 103 | L | 83.7 | Confident | 79.4 | Confident | 18 Ų | 18 | 85.3 Ų | 85.3 | 9% | 0.094 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59 | -57.5 | 169.1 | 172.7 | 61 | 0 | 0 | 0 | 111.1 | F88 C90 F97 D99 R105 H106 E107 | F88-L103 HydrophobicContact CB-CB 3.89Å; F88-L103 HydrophobicContact CB-CD2 3.66Å; F88-L103 HydrophobicContact CB-CG 4.34Å; F88-L103 HydrophobicContact CD1-CD2 4.39Å; F88-L103 HydrophobicContact CG-CD2 4.46Å; C90-L103 HydrophobicContact CB-CD1 3.5Å; C90-L103 VanDerWaalsContact CB-CD1 3.5Å; F97-L103 HydrophobicContact CB-CB 4.14Å; F97-L103 HydrophobicContact CD2-CB 4.14Å; F97-L103 HydrophobicContact CD2-CD1 3.83Å; F97-L103 HydrophobicContact CE2-CD1 4.25Å; F97-L103 HydrophobicContact CG-CB 4.28Å; D99-L103 PolarHBondContact O-N 2.89Å; L103-R105 PolarHBondContact O-N 2.71Å; L103-H106 CarbonylContact O-C 3.39Å; L103-H106 WeakPolarHBondContact O-CA 3.47Å; L103-H106 WeakPolarHBondContact O-CB 3.07Å; L103-H106 PolarHBondContact O-N 3.28Å; L103-E107 HydrophobicContact CD1-CG 3.93Å; L103-E107 WeakPolarHBondContact CD1-OE1 3.43Å; L103-E107 HydrophobicContact CG-CG 4.3Å; L103-E107 WeakPolarHBondContact CG-OE1 3.34Å; L103-E107 WeakPolarHBondContact O-CG 3.42Å; L103-E107 PolarHBondContact O-N 3.25Å |
| 104 | R | 79.9 | Confident | 77.6 | Confident | 159 Ų | 159 | 92.3 Ų | 92.3 | 60% | 0.6 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.6 | -34.9 | -177.8 | -174.9 | 178.5 | -63.8 | -171.3 | -0.2 | 112.9 | S100 Y101 E107 S108 M115 | S100-R104 WeakPolarHBondContact O-CB 3.44Å; S100-R104 PolarHBondContact O-N 3.42Å; Y101-R104 PolarHBondContact O-N 2.72Å; R104-E107 WeakPolarHBondContact CA-OE2 3.28Å; R104-S108 PolarHBondContact O-N 3.45Å; R104-S108 VanDerWaalsContact O-N 3.15Å; R104-M115 HydrophobicContact CG-CE 3.59Å; R104-M115 HydrophobicContact CG-SD 4.39Å |
| 105 | R | 82.1 | Confident | 75.9 | Confident | 152 Ų | 152 | 91.5 Ų | 91.5 | 57% | 0.574 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 172 | -173.1 | -176.7 | -177.4 | 97 | 10.1 | 112 | Y101 L103 S108 S109 | Y101-R105 VanDerWaalsContact O-CB 3.26Å; Y101-R105 WeakPolarHBondContact O-CB 2.99Å; Y101-R105 PolarHBondContact O-N 3.35Å; L103-R105 PolarHBondContact O-N 2.71Å; R105-S108 PolarHBondContact O-OG 3.4Å; R105-S109 PolarHBondContact O-OG 3.12Å |
| 106 | H | 83.8 | Confident | 74 | Confident | 38 Ų | 38 | 91.9 Ų | 91.9 | 18% | 0.176 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 174.9 | -177.1 | 52.7 | 0 | 0 | 0 | 112.4 | C93 F97 H102 L103 S108 S109 H110 | C93-H106 PolarHBondContact SG-NE2 2.99Å; F97-H106 HydrophobicContact CE1-CB 3.93Å; F97-H106 HydrophobicContact CE2-CB 3.87Å; F97-H106 AromaticContact CE2-CD2 3.39Å; F97-H106 WeakPolarHBondContact CE2-CD2 3.06Å; F97-H106 AromaticContact CE2-CG 3.78Å; F97-H106 HydrophobicContact CZ-CB 3.45Å; F97-H106 VanDerWaalsContact CZ-CB 3.45Å; F97-H106 AromaticContact CZ-CD2 3.31Å; F97-H106 WeakPolarHBondContact CZ-CD2 3.44Å; F97-H106 AromaticContact CZ-CG 3.3Å; H102-H106 WeakPolarHBondContact O-CB 3.14Å; H102-H106 PolarHBondContact O-N 3.3Å; L103-H106 CarbonylContact O-C 3.39Å; L103-H106 WeakPolarHBondContact O-CA 3.47Å; L103-H106 WeakPolarHBondContact O-CB 3.07Å; L103-H106 PolarHBondContact O-N 3.28Å; H106-S108 VanDerWaalsContact C-N 3.29Å; H106-S108 PolarHBondContact O-N 3.4Å; H106-S109 WeakPolarHBondContact O-CA 3.26Å; H106-S109 WeakPolarHBondContact O-CB 3.46Å; H106-S109 PolarHBondContact O-N 2.93Å; H106-S109 PolarHBondContact O-OG 3.39Å; H106-H110 AromaticContact CD2-NE2 3.61Å; H106-H110 AromaticContact CE1-NE2 3.48Å; H106-H110 PolarHBondContact CE1-NE2 3.2Å; H106-H110 AromaticContact NE2-CD2 3.96Å; H106-H110 AromaticContact NE2-CE1 3.77Å; H106-H110 AromaticContact NE2-NE2 2.99Å; H106-H110 PolarHBondContact NE2-NE2 3.36Å |
| 107 | E | 81.2 | Confident | 72.2 | Confident | 57 Ų | 57 | 94.5 Ų | 94.5 | 27% | 0.266 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.1 | -39 | 174.8 | -71.3 | 167.1 | 157.4 | 0 | 0 | 112.1 | L103 R104 S109 H110 T111 | L103-E107 HydrophobicContact CD1-CG 3.93Å; L103-E107 WeakPolarHBondContact CD1-OE1 3.43Å; L103-E107 HydrophobicContact CG-CG 4.3Å; L103-E107 WeakPolarHBondContact CG-OE1 3.34Å; L103-E107 WeakPolarHBondContact O-CG 3.42Å; L103-E107 PolarHBondContact O-N 3.25Å; R104-E107 WeakPolarHBondContact CA-OE2 3.28Å; E107-S109 PolarHBondContact O-N 3.5Å; E107-H110 PolarHBondContact O-N 3.46Å; E107-T111 PolarHBondContact O-N 3.22Å |
| 108 | S | 80.4 | Confident | 70.2 | Confident | 21 Ų | 21 | 103.3 Ų | 103.3 | 15% | 0.147 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.9 | -6.5 | 171.3 | 75.7 | 0 | 0 | 0 | 0 | 115.1 | R104 R105 H106 I113 | R104-S108 PolarHBondContact O-N 3.45Å; R104-S108 VanDerWaalsContact O-N 3.15Å; R105-S108 PolarHBondContact O-OG 3.4Å; H106-S108 VanDerWaalsContact C-N 3.29Å; H106-S108 PolarHBondContact O-N 3.4Å; S108-I113 WeakPolarHBondContact CB-O 3.1Å |
| 109 | S | 76.7 | Confident | 67.9 | Low | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -89.2 | -22.9 | 170.8 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | R105 H106 E107 | R105-S109 PolarHBondContact O-OG 3.12Å; H106-S109 WeakPolarHBondContact O-CA 3.26Å; H106-S109 WeakPolarHBondContact O-CB 3.46Å; H106-S109 PolarHBondContact O-N 2.93Å; H106-S109 PolarHBondContact O-OG 3.39Å; E107-S109 PolarHBondContact O-N 3.5Å |
| 110 | H | 79.2 | Confident | 65.9 | Low | 77 Ų | 77 | 105.4 Ų | 105.4 | 36% | 0.356 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -86.3 | -42.2 | 175.5 | -63.7 | -66.7 | 0 | 0 | 0 | 111.8 | C90 Y92 C93 H106 E107 G112 | C90-H110 VanDerWaalsContact SG-CD2 3.56Å; Y92-H110 HydrophobicContact CD1-CB 4.41Å; Y92-H110 HydrophobicContact CD2-CB 4.15Å; Y92-H110 HydrophobicContact CG-CB 3.97Å; C93-H110 PolarHBondContact SG-NE2 3Å; H106-H110 AromaticContact CD2-NE2 3.61Å; H106-H110 AromaticContact CE1-NE2 3.48Å; H106-H110 PolarHBondContact CE1-NE2 3.2Å; H106-H110 AromaticContact NE2-CD2 3.96Å; H106-H110 AromaticContact NE2-CE1 3.77Å; H106-H110 AromaticContact NE2-NE2 2.99Å; H106-H110 PolarHBondContact NE2-NE2 3.36Å; E107-H110 PolarHBondContact O-N 3.46Å; H110-G112 PolarHBondContact O-N 3.31Å |
| 111 | T | 73.5 | Confident | 63.9 | Low | 67 Ų | 67 | 111.8 Ų | 111.8 | 41% | 0.411 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -76.6 | -6.2 | -179.5 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | E107 I113 | E107-T111 PolarHBondContact O-N 3.22Å; T111-I113 PolarHBondContact O-N 3.03Å |
| 112 | G | 59.6 | Low | 61.6 | Low | 57 Ų | 57 | 110.8 Ų | 110.8 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | trans | 68.4 | -11.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H110 K114 | H110-G112 PolarHBondContact O-N 3.31Å; G112-K114 PolarHBondContact O-N 3.43Å | ||
| 113 | I | 62.1 | Low | 59.7 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | trans | -70.6 | 91.3 | -178.6 | -55.8 | 174.2 | 0 | 0 | 0 | 109.3 | S108 T111 M115 | S108-I113 WeakPolarHBondContact CB-O 3.1Å; T111-I113 PolarHBondContact O-N 3.03Å; I113-M115 PolarHBondContact O-N 3.27Å | ||
| 114 | K | 47.1 | Very low | 57.4 | Low | 189 Ų | 189 | 118.1 Ų | 118.1 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | trans | -56 | 100.1 | 170.4 | -68.5 | 172.8 | -176.1 | 165.6 | 0 | 109.5 | G112 V116 | G112-K114 PolarHBondContact O-N 3.43Å; K114-V116 PolarHBondContact O-N 3.39Å; K114-V116 VanDerWaalsContact O-N 3.08Å | ||
| 115 | M | 43.7 | Very low | 55.3 | Low | 110 Ų | 110 | 116.8 Ų | 116.8 | 54% | 0.542 | 62% | 0.618 | S | S | . | * | trans | -53 | 119.8 | 175.9 | -68.6 | -155.4 | 169 | 0 | 0 | 109.6 | R104 I113 S117 | R104-M115 HydrophobicContact CG-CE 3.59Å; R104-M115 HydrophobicContact CG-SD 4.39Å; I113-M115 PolarHBondContact O-N 3.27Å; M115-S117 PolarHBondContact O-N 3.31Å | ||
| 116 | V | 44 | Very low | 52.8 | Low | 127 Ų | 127 | 114.3 Ų | 114.3 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | trans | -58.9 | 104.6 | -163.2 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | K114 R118 | K114-V116 PolarHBondContact O-N 3.39Å; K114-V116 VanDerWaalsContact O-N 3.08Å; V116-R118 PolarHBondContact O-N 2.82Å | ||
| 117 | S | 47.6 | Very low | 50.5 | Low | 107 Ų | 107 | 117.8 Ų | 117.8 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -62.8 | 110.1 | 169.9 | 54.8 | 0 | 0 | 0 | 0 | 108.2 | M115 | M115-S117 PolarHBondContact O-N 3.31Š| ||
| 118 | R | 40 | Very low | 48.4 | Very low | 228 Ų | 228 | 121.6 Ų | 121.6 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -30.4 | 117.7 | -176.8 | -164.8 | -176.7 | -154.2 | 179.4 | 9.5 | 111.7 | V116 K120 | V116-R118 PolarHBondContact O-N 2.82Å; R118-K120 PolarHBondContact O-N 3.1Å; R118-K120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | P | 36.2 | Very low | 46.1 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | -48.5 | 116.7 | -166.9 | -33.3 | 36 | 0 | 0 | 0 | 113.5 | K121 | P119-K121 VanDerWaalsContact C-N 3.3Å; P119-K121 PolarHBondContact O-N 2.05Å | ||
| 120 | K | 37.5 | Very low | 44 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | -72.3 | 89.3 | 173.5 | -177.5 | -171.1 | 176 | -169.1 | 0 | 107.3 | R118 T122 | R118-K120 PolarHBondContact O-N 3.1Å; R118-K120 VanDerWaalsContact O-N 3.08Å; K120-T122 PolarHBondContact O-N 3.2Å | ||
| 121 | K | 38.8 | Very low | 42 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -58 | 95.9 | -177.5 | -169.4 | 175.3 | -173.8 | -179.4 | 0 | 110.7 | P119 | P119-K121 VanDerWaalsContact C-N 3.3Å; P119-K121 PolarHBondContact O-N 2.05Å | ||
| 122 | T | 33.6 | Very low | 40 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 145.3 | 157.8 | 38.5 | 0 | 0 | 0 | 0 | 108.3 | K120 | K120-T122 PolarHBondContact O-N 3.2Š| ||
| 123 | A | 42.8 | Very low | 38.7 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -91.4 | 117 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 124 | Q | 36.8 | Very low | 37.1 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -162.1 | 151.4 | 153.2 | -107.5 | 148.2 | 14.1 | 0 | 0 | 110.5 | ||||
| 125 | T | 34.9 | Very low | 36.3 | Very low | 130 Ų | 130 | 138 Ų | 138 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | 17.9 | 123.7 | 159.2 | 51.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 126 | A | 29.5 | Very low | 35.9 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 136.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 127 | P | 35.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 148.7 | 167.5 | 33.2 | -32.9 | 0 | 0 | 0 | 111.4 | ||
| 128 | T | 36.1 | Very low | 34.5 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67 | 136 | 172.7 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 129 | M | 32.6 | Very low | 33.9 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 122.3 | 171.4 | -69.9 | -68.5 | -65.9 | 0 | 0 | 109.9 | ||
| 130 | V | 33.4 | Very low | 33.7 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 135.3 | 168.9 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | M132 | V130-M132 PolarHBondContact O-N 3.32Š|
| 131 | P | 36.9 | Very low | 33.5 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 127.7 | 174.7 | -14.7 | 29.6 | 0 | 0 | 0 | 111.2 | ||
| 132 | M | 31.7 | Very low | 33.2 | Very low | 192 Ų | 192 | 136.5 Ų | 136.5 | 95% | 0.946 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88 | 128.5 | 160.3 | -80.6 | -173.5 | 167.6 | 0 | 0 | 109.3 | V130 | V130-M132 PolarHBondContact O-N 3.32Š|
| 133 | I | 31.6 | Very low | 33 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 128.4 | 175.6 | -58.2 | 169.9 | 0 | 0 | 0 | 108 | ||
| 134 | A | 28.4 | Very low | 32.4 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -108.7 | 111.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | S | 30.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -80.6 | 126.9 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 136 | M | 35.5 | Very low | 31.9 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -116.2 | 148.5 | 163.9 | -61.4 | -62 | 172.5 | 0 | 0 | 108.6 | ||||
| 137 | P | 32.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 163.7 | -173.7 | 28.5 | -34.9 | 0 | 0 | 0 | 113.7 | ||||
| 138 | R | 29.6 | Very low | 31.6 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -95.1 | 134 | -170.4 | 163.1 | -172.8 | 171.8 | -174.4 | -2 | 111.8 | N140 | R138-N140 PolarHBondContact NH2-OD1 3.17Š| ||
| 139 | E | 27.2 | Very low | 31.4 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -121.9 | 173.2 | 146.5 | -69.6 | -158.7 | 168.3 | 0 | 0 | 110.1 | ||||
| 140 | N | 32.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 56% | 0.556 | 78% | 0.784 | S | S | * | * | trans | -129.1 | 124.5 | -141 | -179 | 88.2 | 0 | 0 | 0 | 115.1 | R138 | R138-N140 PolarHBondContact NH2-OD1 3.17Š| ||
| 141 | N | 32.9 | Very low | 31.4 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -179.1 | 154.1 | 137.4 | -94.9 | -20.6 | 0 | 0 | 0 | 112 | ||||
| 142 | G | 32.7 | Very low | 31 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 108.9 | 95.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 143 | N | 30 | Very low | 31 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -72.3 | 148.8 | -175.2 | -63.1 | -22.7 | 0 | 0 | 0 | 115.4 | ||||
| 144 | S | 29.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 73.3 | 150.9 | 146 | -138 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 145 | S | 31.3 | Very low | 30.9 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -146.7 | 146 | 14.6 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 146 | Y | 30.9 | Very low | 31.1 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 41.1 | 114.5 | 132.4 | -154.3 | -104.5 | 0 | 0 | 0 | 121.7 | ||||
| 147 | I | 28 | Very low | 30.8 | Very low | 123 Ų | 123 | 132 Ų | 132 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | 44.7 | 135 | 126 | -69.5 | -175.6 | 0 | 0 | 0 | 118.8 | |||||
| 148 | S | 29.5 | Very low | 30.8 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | cis | -155.6 | 168.2 | 43.7 | -154.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 149 | T | 33.6 | Very low | 31 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -84.5 | 141 | 162.8 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 150 | V | 34.5 | Very low | 31.1 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -146.8 | 149.3 | 154.1 | -116.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 151 | A | 30.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -130.6 | 150.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 152 | G | 29.4 | Very low | 30.9 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 161.6 | 105.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 153 | I | 30.6 | Very low | 31 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | 78.1 | 104.1 | 53.6 | -58.2 | 173.3 | 0 | 0 | 0 | 112.1 | |||||
| 154 | L | 27.8 | Very low | 31.3 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 64 | 158.7 | 164.3 | -107.6 | 55.8 | 0 | 0 | 0 | 116 | ||||
| 155 | S | 31.5 | Very low | 31.5 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -135.4 | 161.7 | 10.4 | -79.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 156 | T | 33.9 | Very low | 31.5 | Very low | 140 Ų | 140 | 123 Ų | 123 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | trans | -66.2 | 137.1 | 160.6 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 157 | A | 28.4 | Very low | 31.6 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -131.5 | 133.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 158 | T | 33 | Very low | 31.9 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -112.4 | 118.1 | -179 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 159 | T | 32.8 | Very low | 32 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -173.8 | 157.5 | 156.4 | 31.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 160 | S | 29.3 | Very low | 32 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | cis | 161.6 | 136.1 | -38.6 | 51.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 161 | V | 28.4 | Very low | 31.9 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | 55.2 | 144.3 | 176.4 | -65.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 162 | S | 34.1 | Very low | 32 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | cis | -150 | 170.6 | 37.7 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 163 | S | 35.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -91.2 | 135.8 | 174 | -55.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 164 | G | 34.6 | Very low | 32.6 | Very low | 78 Ų | 78 | 123.2 Ų | 123.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -147.6 | 131.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 165 | T | 34 | Very low | 33 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -120.1 | 138.2 | -169.1 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 166 | S | 31.4 | Very low | 33.4 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 71.7 | 162.9 | 166.5 | -43.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 167 | I | 33.2 | Very low | 33.7 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | cis | -125.9 | 175.1 | 9 | -66.3 | 170.4 | 0 | 0 | 0 | 110 | ||||
| 168 | M | 34.4 | Very low | 34.3 | Very low | 172 Ų | 172 | 131 Ų | 131 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -63 | 168 | 175.4 | -40 | -176.2 | -167.4 | 0 | 0 | 111.9 | ||||
| 169 | T | 32.4 | Very low | 34.6 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | -172.3 | 147.6 | 70.4 | -37.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 170 | S | 32.9 | Very low | 34.7 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | trans | 38.4 | 138.6 | 146.6 | 63.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 171 | S | 31.7 | Very low | 35.2 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | 74.1 | 142.9 | 145.7 | -62.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 172 | A | 32.8 | Very low | 36 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | cis | -160.4 | 159.8 | -14.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 173 | M | 37.8 | Very low | 36.5 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 98% | 0.98 | 80% | 0.801 | S | S | * | * | trans | 56.5 | 127.5 | 163.7 | -63.9 | -178.7 | 119 | 0 | 0 | 119.8 | ||||
| 174 | G | 35.4 | Very low | 36.7 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 171.2 | 75.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V176 | G174-V176 PolarHBondContact O-N 3.37Š| ||
| 175 | N | 36.5 | Very low | 37.3 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 104.6 | -176.1 | -177.6 | 16.4 | 0 | 0 | 0 | 111.8 | ||||
| 176 | V | 38.4 | Very low | 38.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -127.9 | 134.8 | 166.3 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | G174 | G174-V176 PolarHBondContact O-N 3.37Š| ||
| 177 | Q | 39.8 | Very low | 39.1 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 133.8 | -171.4 | -59 | 168.5 | 3.3 | 0 | 0 | 111.8 | ||||
| 178 | Q | 41.4 | Very low | 39.8 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -120 | 120.3 | 163.7 | -167.2 | 167.1 | 97.1 | 0 | 0 | 110.1 | N180 | Q178-N180 PolarHBondContact O-N 3.34Š| ||
| 179 | Q | 38.9 | Very low | 40.7 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 125.8 | -174.6 | -67 | 175 | -9.9 | 0 | 0 | 111 | V181 | Q179-V181 PolarHBondContact O-N 3.31Š| ||
| 180 | N | 36.6 | Very low | 42.1 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 96.5 | -174.5 | -174.3 | 10.4 | 0 | 0 | 0 | 110.9 | Q178 | Q178-N180 PolarHBondContact O-N 3.34Š| ||
| 181 | V | 39.7 | Very low | 43.6 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -49.1 | 129.9 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | Q179 K183 | Q179-V181 PolarHBondContact O-N 3.31Å; V181-K183 PolarHBondContact O-N 3.39Å | ||
| 182 | P | 43.6 | Very low | 45.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -54.2 | 101.4 | -176.7 | -30.3 | 36.6 | 0 | 0 | 0 | 113.9 | K184 | P182-K184 PolarHBondContact O-N 2.86Š| ||
| 183 | K | 45.2 | Very low | 48 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 109.3 | 178.8 | -67.8 | 179.7 | -176.1 | 174.9 | 0 | 109.2 | V181 | V181-K183 PolarHBondContact O-N 3.39Š| ||
| 184 | K | 39 | Very low | 50.2 | Low | 194 Ų | 194 | 136.5 Ų | 136.5 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 130.9 | 174.5 | -76.4 | 168.6 | 178 | 158.8 | 0 | 109.5 | P182 | P182-K184 PolarHBondContact O-N 2.86Š|
| 185 | P | 48.4 | Very low | 52.6 | Low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 134.8 | -174.3 | 22.3 | -33.2 | 0 | 0 | 0 | 110.2 | K187 | P185-K187 PolarHBondContact O-N 3.2Š|
| 186 | P | 53.5 | Low | 54.8 | Low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.3 | -177.7 | 23.9 | -32.9 | 0 | 0 | 0 | 109.6 | ||
| 187 | K | 49.8 | Very low | 57 | Low | 184 Ų | 184 | 133.9 Ų | 133.9 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 132.2 | 170.8 | -63 | 168 | -173.5 | 165.1 | 0 | 107.2 | P185 V189 | P185-K187 PolarHBondContact O-N 3.2Å; K187-V189 PolarHBondContact O-N 3.14Å |
| 188 | P | 47.3 | Very low | 59.1 | Low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | trans | -58.4 | 110.3 | 180 | 22.5 | -32.9 | 0 | 0 | 0 | 109.1 | K190 | P188-K190 PolarHBondContact O-N 2.82Š| ||
| 189 | V | 54.1 | Low | 61.1 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | -67.2 | 102.8 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 106.5 | K187 K191 | K187-V189 PolarHBondContact O-N 3.14Å; V189-K191 PolarHBondContact O-N 3.13Å | ||
| 190 | K | 60.5 | Low | 63.3 | Low | 146 Ų | 146 | 118.7 Ų | 118.7 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | trans | -69.8 | 97.6 | -177.2 | -159.3 | 165.5 | -170.8 | 166.8 | 0 | 107.8 | P188 N192 | P188-K190 PolarHBondContact O-N 2.82Å; K190-N192 PolarHBondContact O-N 3.43Å | ||
| 191 | K | 64.9 | Low | 65.7 | Low | 181 Ų | 181 | 115.8 Ų | 115.8 | 79% | 0.787 | 63% | 0.633 | S | S | * | * | trans | -59.4 | 98.3 | -175.5 | -171.3 | 171.3 | -176.2 | 175.2 | 0 | 109.1 | V189 | V189-K191 PolarHBondContact O-N 3.13Š| ||
| 192 | N | 76.1 | Confident | 68 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 51% | 0.508 | 61% | 0.609 | S | S | . | * | trans | -68 | 138.9 | 178 | -64.3 | -47.1 | 0 | 0 | 0 | 108.9 | K190 A201 F202 | K190-N192 PolarHBondContact O-N 3.43Å; N192-A201 HydrophobicContact CB-CB 3.97Å; N192-F202 CarbonylContact C-O 3.51Å; N192-F202 VanDerWaalsContact CA-O 3.29Å; N192-F202 WeakPolarHBondContact CA-O 3.3Å | ||
| 193 | H | 80.6 | Confident | 70 | Confident | 67 Ų | 67 | 113.6 Ų | 113.6 | 31% | 0.31 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 110.8 | -179.2 | -53.8 | -90.2 | 0 | 0 | 0 | 108.9 | F202 D204 V205 L208 | H193-F202 PolarHBondContact N-O 2.76Å; H193-F202 PolarHBondContact O-N 2.83Å; H193-D204 VanDerWaalsContact CD2-C 3.43Å; H193-V205 PolarHBondContact CD2-N 3.48Å; H193-V205 WeakPolarHBondContact CE1-CG2 3.34Å; H193-L208 HydrophobicContact CB-CB 4.19Å; H193-L208 HydrophobicContact CB-CD2 3.64Å |
| 194 | G | 83.6 | Confident | 72 | Confident | 45 Ų | 45 | 107 Ų | 107 | 46% | 0.464 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.5 | 144.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K200 L208 | G194-K200 CarbonylContact C-O 3.49Å; G194-L208 WeakPolarHBondContact O-CD2 3.49Å |
| 195 | C | 87.6 | Confident | 74.3 | Confident | 1 Ų | 1 | 102 Ų | 102 | 1% | 0.007 | 56% | 0.556 | C | S | . | * | trans | -92.2 | 102.4 | 165.8 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | M197 C198 G199 K200 F202 L208 H211 H215 | C195-M197 VanDerWaalsContact C-N 3.28Å; C195-M197 PolarHBondContact O-N 2.92Å; C195-C198 CarbonylContact O-C 3.54Å; C195-C198 PolarHBondContact O-N 3.18Å; C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.07Å; C195-K200 HydrophobicContact CB-CB 4.48Å; C195-K200 WeakPolarHBondContact CB-O 3.04Å; C195-K200 PolarHBondContact N-O 3Å; C195-F202 HydrophobicContact CB-CE2 4.07Å; C195-L208 HydrophobicContact CB-CD1 3.52Å; C195-H211 VanDerWaalsContact SG-CD2 3.54Å; C195-H215 PolarHBondContact SG-NE2 2.85Å; C195-H215 VanDerWaalsContact SG-NE2 3.37Å | ||
| 196 | E | 82.7 | Confident | 76 | Confident | 172 Ų | 172 | 104.3 Ų | 104.3 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -41.6 | -50 | 177.2 | -163.8 | 160.5 | -150.4 | 0 | 0 | 113.4 | C198 | E196-C198 PolarHBondContact O-N 3.34Š|
| 197 | M | 83 | Confident | 77.5 | Confident | 143 Ų | 143 | 101.1 Ų | 101.1 | 70% | 0.704 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -60.2 | -14 | 179.5 | -55.5 | -55.3 | -64.8 | 0 | 0 | 116.2 | C195 | C195-M197 VanDerWaalsContact C-N 3.28Å; C195-M197 PolarHBondContact O-N 2.92Å |
| 198 | C | 85.4 | Confident | 79.3 | Confident | 47 Ų | 47 | 93.3 Ų | 93.3 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -160.6 | 16 | -174 | 68.6 | 0 | 0 | 0 | 0 | 116.1 | C195 E196 K200 H211 H215 | C195-C198 CarbonylContact O-C 3.54Å; C195-C198 PolarHBondContact O-N 3.18Å; E196-C198 PolarHBondContact O-N 3.34Å; C198-K200 PolarHBondContact O-N 2.84Å; C198-H211 PolarHBondContact SG-NE2 3.27Å; C198-H215 PolarHBondContact SG-NE2 3.45Å; C198-H215 VanDerWaalsContact SG-NE2 3.45Å |
| 199 | G | 81.9 | Confident | 81 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | trans | 65.6 | -9.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | C195 A201 | C195-G199 WeakPolarHBondContact O-CA 3.41Å; C195-G199 PolarHBondContact O-N 3.07Å; G199-A201 PolarHBondContact O-N 2.85Å | ||
| 200 | K | 86 | Confident | 82.5 | Confident | 122 Ų | 122 | 90.2 Ų | 90.2 | 53% | 0.53 | 46% | 0.459 | S | S | . | . | trans | -65.9 | 122.3 | -170.2 | -70.5 | 174 | -172.3 | 169.6 | 0 | 111.8 | G194 C195 C198 F202 | G194-K200 CarbonylContact C-O 3.49Å; C195-K200 HydrophobicContact CB-CB 4.48Å; C195-K200 WeakPolarHBondContact CB-O 3.04Å; C195-K200 PolarHBondContact N-O 3Å; C198-K200 PolarHBondContact O-N 2.84Å; K200-F202 HydrophobicContact CB-CE2 3.66Å; K200-F202 HydrophobicContact CB-CZ 3.94Å; K200-F202 VanDerWaalsContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CE2 3.42Å | ||
| 201 | A | 87.3 | Confident | 83.7 | Confident | 67 Ų | 67 | 84.4 Ų | 84.4 | 55% | 0.554 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 132.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N192 G199 | N192-A201 HydrophobicContact CB-CB 3.97Å; G199-A201 PolarHBondContact O-N 2.85Å |
| 202 | F | 87.4 | Confident | 84.6 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.8 | -177.8 | -63.7 | -87.7 | 0 | 0 | 0 | 112.4 | N192 H193 C195 K200 D204 H207 L208 H211 | N192-F202 CarbonylContact C-O 3.51Å; N192-F202 VanDerWaalsContact CA-O 3.29Å; N192-F202 WeakPolarHBondContact CA-O 3.3Å; H193-F202 PolarHBondContact N-O 2.76Å; H193-F202 PolarHBondContact O-N 2.83Å; C195-F202 HydrophobicContact CB-CE2 4.07Å; K200-F202 HydrophobicContact CB-CE2 3.66Å; K200-F202 HydrophobicContact CB-CZ 3.94Å; K200-F202 VanDerWaalsContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CD2 3.23Å; K200-F202 WeakPolarHBondContact O-CE2 3.42Å; F202-D204 PolarHBondContact O-N 2.83Å; F202-H207 HydrophobicContact CB-CB 4.12Å; F202-H207 HydrophobicContact CD1-CB 3.99Å; F202-H207 HydrophobicContact CG-CB 4.39Å; F202-L208 HydrophobicContact CB-CB 4.12Å; F202-L208 HydrophobicContact CD2-CB 4.16Å; F202-L208 HydrophobicContact CD2-CD1 3.95Å; F202-L208 HydrophobicContact CE2-CD1 4.36Å; F202-L208 HydrophobicContact CG-CB 4.32Å; F202-H211 HydrophobicContact CE1-CB 3.99Å; F202-H211 HydrophobicContact CE2-CB 3.94Å; F202-H211 AromaticContact CE2-CD2 3.19Å; F202-H211 WeakPolarHBondContact CE2-CD2 2.96Å; F202-H211 AromaticContact CE2-CG 3.74Å; F202-H211 HydrophobicContact CZ-CB 3.56Å; F202-H211 AromaticContact CZ-CD2 3.23Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.37Å; F202-H211 AromaticContact CZ-CG 3.35Å |
| 203 | R | 86.3 | Confident | 84.9 | Confident | 149 Ų | 149 | 77.9 Ų | 77.9 | 56% | 0.562 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.5 | -20.8 | -175.6 | -170 | -165.4 | 65.3 | -172.9 | -4.4 | 114.5 | ||
| 204 | D | 86.8 | Confident | 85 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 20% | 0.203 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -158.8 | 156.9 | -176.9 | 52.8 | 71.9 | 0 | 0 | 0 | 110.7 | H193 F202 Y206 H207 L208 | H193-D204 VanDerWaalsContact CD2-C 3.43Å; F202-D204 PolarHBondContact O-N 2.83Å; D204-Y206 PolarHBondContact O-N 2.87Å; D204-H207 VanDerWaalsContact CG-ND1 3.32Å; D204-H207 PolarHBondContact O-N 3.02Å; D204-H207 WeakPolarHBondContact OD1-CB 3.37Å; D204-H207 IonicContact OD1-CE1 3.5Å; D204-H207 IonicContact OD1-CG 3.19Å; D204-H207 PolarHBondContact OD1-N 3.32Å; D204-H207 IonicContact OD1-ND1 3.29Å; D204-H207 PolarHBondContact OD1-ND1 2.83Å; D204-H207 IonicContact OD2-CE1 3.66Å; D204-H207 IonicContact OD2-ND1 2.94Å; D204-H207 PolarHBondContact OD2-ND1 2.81Å; D204-H207 VanDerWaalsContact OD2-ND1 3.17Å; D204-L208 PolarHBondContact O-N 3.41Å |
| 205 | V | 86.2 | Confident | 84.9 | Confident | 89 Ų | 89 | 79.4 Ų | 79.4 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.7 | -34.8 | -178 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | H193 L208 N209 | H193-V205 PolarHBondContact CD2-N 3.48Å; H193-V205 WeakPolarHBondContact CE1-CG2 3.34Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-N209 PolarHBondContact O-N 2.76Å |
| 206 | Y | 85.3 | Confident | 84.4 | Confident | 164 Ų | 164 | 81.7 Ų | 81.7 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 179.3 | 172.7 | -98.8 | 0 | 0 | 0 | 111.8 | D204 L208 N209 R210 | D204-Y206 PolarHBondContact O-N 2.87Å; Y206-L208 VanDerWaalsContact C-N 3.35Å; Y206-N209 PolarHBondContact O-N 3.21Å; Y206-R210 VanDerWaalsContact O-CB 3.29Å; Y206-R210 WeakPolarHBondContact O-CB 3.29Å; Y206-R210 PolarHBondContact O-N 3.49Å |
| 207 | H | 85.8 | Confident | 84.1 | Confident | 50 Ų | 50 | 79.5 Ų | 79.5 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 175.1 | -77.9 | 84.2 | 0 | 0 | 0 | 112.9 | F202 D204 R210 H211 | F202-H207 HydrophobicContact CB-CB 4.12Å; F202-H207 HydrophobicContact CD1-CB 3.99Å; F202-H207 HydrophobicContact CG-CB 4.39Å; D204-H207 VanDerWaalsContact CG-ND1 3.32Å; D204-H207 PolarHBondContact O-N 3.02Å; D204-H207 WeakPolarHBondContact OD1-CB 3.37Å; D204-H207 IonicContact OD1-CE1 3.5Å; D204-H207 IonicContact OD1-CG 3.19Å; D204-H207 PolarHBondContact OD1-N 3.32Å; D204-H207 IonicContact OD1-ND1 3.29Å; D204-H207 PolarHBondContact OD1-ND1 2.83Å; D204-H207 IonicContact OD2-CE1 3.66Å; D204-H207 IonicContact OD2-ND1 2.94Å; D204-H207 PolarHBondContact OD2-ND1 2.81Å; D204-H207 VanDerWaalsContact OD2-ND1 3.17Å; H207-R210 PolarHBondContact CD2-NH1 2.94Å; H207-R210 PolarHBondContact NE2-NH1 2.85Å; H207-H211 WeakPolarHBondContact O-CB 3.5Å; H207-H211 PolarHBondContact O-N 3.43Å; H207-H211 VanDerWaalsContact O-N 3.16Å |
| 208 | L | 86.2 | Confident | 83.8 | Confident | 21 Ų | 21 | 78.1 Ų | 78.1 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.8 | -50 | 171.4 | 171.1 | 59.5 | 0 | 0 | 0 | 111.4 | H193 G194 C195 F202 D204 V205 Y206 R210 H211 K212 | H193-L208 HydrophobicContact CB-CB 4.19Å; H193-L208 HydrophobicContact CB-CD2 3.64Å; G194-L208 WeakPolarHBondContact O-CD2 3.49Å; C195-L208 HydrophobicContact CB-CD1 3.52Å; F202-L208 HydrophobicContact CB-CB 4.12Å; F202-L208 HydrophobicContact CD2-CB 4.16Å; F202-L208 HydrophobicContact CD2-CD1 3.95Å; F202-L208 HydrophobicContact CE2-CD1 4.36Å; F202-L208 HydrophobicContact CG-CB 4.32Å; D204-L208 PolarHBondContact O-N 3.41Å; V205-L208 PolarHBondContact O-N 3.15Å; Y206-L208 VanDerWaalsContact C-N 3.35Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.29Å; L208-H211 CarbonylContact O-C 3.45Å; L208-H211 WeakPolarHBondContact O-CA 3.3Å; L208-H211 WeakPolarHBondContact O-CB 3.23Å; L208-H211 PolarHBondContact O-N 2.83Å; L208-K212 HydrophobicContact CD1-CG 4.36Å; L208-K212 PolarHBondContact O-N 3.07Å |
| 209 | N | 84.3 | Confident | 83.6 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 54% | 0.535 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | -177.7 | -160.8 | 44.2 | 0 | 0 | 0 | 111.4 | V205 Y206 H211 K212 L213 | V205-N209 PolarHBondContact O-N 2.76Å; Y206-N209 PolarHBondContact O-N 3.21Å; N209-H211 PolarHBondContact O-N 3.1Å; N209-H211 VanDerWaalsContact O-N 3.16Å; N209-K212 PolarHBondContact O-N 2.8Å; N209-K212 VanDerWaalsContact O-N 3.13Å; N209-L213 PolarHBondContact O-N 3.17Å |
| 210 | R | 84.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -16.4 | 171.3 | -159.4 | -161.4 | 71.5 | -161.1 | -1.6 | 113.3 | Y206 H207 L208 | Y206-R210 VanDerWaalsContact O-CB 3.29Å; Y206-R210 WeakPolarHBondContact O-CB 3.29Å; Y206-R210 PolarHBondContact O-N 3.49Å; H207-R210 PolarHBondContact CD2-NH1 2.94Å; H207-R210 PolarHBondContact NE2-NH1 2.85Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.29Å |
| 211 | H | 86.3 | Confident | 83.6 | Confident | 25 Ų | 25 | 77.2 Ų | 77.2 | 12% | 0.116 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -94.7 | -31.1 | 170.8 | 175.2 | 48.3 | 0 | 0 | 0 | 113.1 | C195 C198 F202 H207 L208 N209 L213 S214 H215 | C195-H211 VanDerWaalsContact SG-CD2 3.54Å; C198-H211 PolarHBondContact SG-NE2 3.27Å; F202-H211 HydrophobicContact CE1-CB 3.99Å; F202-H211 HydrophobicContact CE2-CB 3.94Å; F202-H211 AromaticContact CE2-CD2 3.19Å; F202-H211 WeakPolarHBondContact CE2-CD2 2.96Å; F202-H211 AromaticContact CE2-CG 3.74Å; F202-H211 HydrophobicContact CZ-CB 3.56Å; F202-H211 AromaticContact CZ-CD2 3.23Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.37Å; F202-H211 AromaticContact CZ-CG 3.35Å; H207-H211 WeakPolarHBondContact O-CB 3.5Å; H207-H211 PolarHBondContact O-N 3.43Å; H207-H211 VanDerWaalsContact O-N 3.16Å; L208-H211 CarbonylContact O-C 3.45Å; L208-H211 WeakPolarHBondContact O-CA 3.3Å; L208-H211 WeakPolarHBondContact O-CB 3.23Å; L208-H211 PolarHBondContact O-N 2.83Å; N209-H211 PolarHBondContact O-N 3.1Å; N209-H211 VanDerWaalsContact O-N 3.16Å; H211-L213 PolarHBondContact O-N 2.79Å; H211-S214 PolarHBondContact CE1-OG 3.27Å; H211-S214 PolarHBondContact ND1-OG 2.78Å; H211-S214 PolarHBondContact O-N 3.5Å; H211-S214 PolarHBondContact O-OG 2.86Å; H211-H215 AromaticContact CD2-NE2 3.87Å; H211-H215 AromaticContact CE1-CE1 3.71Å; H211-H215 AromaticContact CE1-NE2 3.3Å; H211-H215 PolarHBondContact CE1-NE2 2.89Å; H211-H215 VanDerWaalsContact CE1-NE2 3.3Å; H211-H215 AromaticContact NE2-CE1 3.78Å; H211-H215 AromaticContact NE2-NE2 3.07Å; H211-H215 PolarHBondContact NE2-NE2 2.8Å |
| 212 | K | 83.8 | Confident | 83.7 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.7 | -36.3 | 169.4 | -72.8 | -165.4 | 170.3 | -161.3 | 0 | 111.1 | L208 N209 S214 H215 S216 | L208-K212 HydrophobicContact CD1-CG 4.36Å; L208-K212 PolarHBondContact O-N 3.07Å; N209-K212 PolarHBondContact O-N 2.8Å; N209-K212 VanDerWaalsContact O-N 3.13Å; K212-S214 PolarHBondContact O-N 3.01Å; K212-S214 VanDerWaalsContact O-N 3.12Å; K212-H215 PolarHBondContact O-N 3.28Å; K212-S216 PolarHBondContact O-N 3.31Å |
| 213 | L | 82.8 | Confident | 83.8 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.5 | -14.2 | 169.5 | -69.2 | 174.3 | 0 | 0 | 0 | 116 | N209 H211 K231 | N209-L213 PolarHBondContact O-N 3.17Å; H211-L213 PolarHBondContact O-N 2.79Å; L213-K231 WeakPolarHBondContact O-CD 3.49Å |
| 214 | S | 81.9 | Confident | 83.8 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -82.9 | -23.8 | 170.7 | 63.1 | 0 | 0 | 0 | 0 | 113 | H211 K212 | H211-S214 PolarHBondContact CE1-OG 3.27Å; H211-S214 PolarHBondContact ND1-OG 2.78Å; H211-S214 PolarHBondContact O-N 3.5Å; H211-S214 PolarHBondContact O-OG 2.86Å; K212-S214 PolarHBondContact O-N 3.01Å; K212-S214 VanDerWaalsContact O-N 3.12Å |
| 215 | H | 81.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -89.2 | -33.9 | 179.6 | -55.9 | -59.6 | 0 | 0 | 0 | 112.7 | C195 C198 H211 K212 | C195-H215 PolarHBondContact SG-NE2 2.85Å; C195-H215 VanDerWaalsContact SG-NE2 3.37Å; C198-H215 PolarHBondContact SG-NE2 3.45Å; C198-H215 VanDerWaalsContact SG-NE2 3.45Å; H211-H215 AromaticContact CD2-NE2 3.87Å; H211-H215 AromaticContact CE1-CE1 3.71Å; H211-H215 AromaticContact CE1-NE2 3.3Å; H211-H215 PolarHBondContact CE1-NE2 2.89Å; H211-H215 VanDerWaalsContact CE1-NE2 3.3Å; H211-H215 AromaticContact NE2-CE1 3.78Å; H211-H215 AromaticContact NE2-NE2 3.07Å; H211-H215 PolarHBondContact NE2-NE2 2.8Å; K212-H215 PolarHBondContact O-N 3.28Å |
| 216 | S | 77.1 | Confident | 83.9 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -76.6 | 138.9 | 168.6 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | K212 E218 K231 | K212-S216 PolarHBondContact O-N 3.31Å; S216-E218 VanDerWaalsContact C-N 3.27Å; S216-E218 WeakPolarHBondContact OG-CB 3.46Å; S216-E218 PolarHBondContact OG-N 3.24Å; S216-K231 WeakPolarHBondContact O-CE 3.42Å; S216-K231 PolarHBondContact O-NZ 3.49Å |
| 217 | D | 76.6 | Confident | 84 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | trans | -85.4 | 3.4 | 171.2 | -81.6 | -44.5 | 0 | 0 | 0 | 114.9 | K219 K231 | D217-K219 PolarHBondContact O-N 3.35Å; D217-K231 WeakPolarHBondContact OD1-CE 3.04Å; D217-K231 IonicContact OD1-NZ 2.71Å; D217-K231 PolarHBondContact OD1-NZ 3.04Å | ||
| 218 | E | 76 | Confident | 84.1 | Confident | 115 Ų | 115 | 75 Ų | 75 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | trans | -52.7 | 126.5 | 166 | -165.9 | -166.9 | 168.4 | 0 | 0 | 111.2 | S216 P220 | S216-E218 VanDerWaalsContact C-N 3.27Å; S216-E218 WeakPolarHBondContact OG-CB 3.46Å; S216-E218 PolarHBondContact OG-N 3.24Å; E218-P220 HydrophobicContact CG-CG 3.99Å | ||
| 219 | K | 82.4 | Confident | 84.3 | Confident | 88 Ų | 88 | 80.5 Ų | 80.5 | 38% | 0.383 | 41% | 0.405 | S | S | . | . | trans | -125.6 | 80.6 | 179.3 | -71.9 | 157.2 | 174.1 | 179.6 | 0 | 108.8 | D217 F221 R229 F230 K231 | D217-K219 PolarHBondContact O-N 3.35Å; K219-F221 PolarHBondContact O-N 3.45Å; K219-R229 HydrophobicContact CB-CB 3.53Å; K219-R229 HydrophobicContact CD-CB 4.1Å; K219-R229 WeakPolarHBondContact CD-O 3.47Å; K219-R229 HydrophobicContact CG-CB 4.37Å; K219-R229 PolarHBondContact O-NE 2.94Å; K219-R229 PolarHBondContact O-NH2 3.35Å; K219-F230 CarbonylContact C-O 3.57Å; K219-F230 WeakPolarHBondContact CA-O 3.46Å; K219-K231 HydrophobicContact CG-CG 3.69Å | ||
| 220 | P | 82.1 | Confident | 84.4 | Confident | 56 Ų | 56 | 78 Ų | 78 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | trans | -69.9 | -12.7 | -170 | -20.3 | 32.6 | 0 | 0 | 0 | 115.2 | E218 | E218-P220 HydrophobicContact CG-CG 3.99Š| ||
| 221 | F | 84.6 | Confident | 84.4 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 30% | 0.303 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 103.1 | -168.6 | -58 | -75.8 | 0 | 0 | 0 | 111 | K219 F230 K233 M236 | K219-F221 PolarHBondContact O-N 3.45Å; F221-F230 HydrophobicContact CB-CB 4.39Å; F221-F230 PolarHBondContact N-O 3.3Å; F221-F230 PolarHBondContact O-N 3.27Å; F221-K233 HydrophobicContact CD1-CB 3.67Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.45Å; F221-K233 HydrophobicContact CE1-CB 3.65Å; F221-K233 HydrophobicContact CE1-CD 4.33Å; F221-K233 HydrophobicContact CE1-CG 4.21Å; F221-K233 HydrophobicContact CE2-CB 4.42Å; F221-K233 HydrophobicContact CG-CB 4.08Å; F221-K233 HydrophobicContact CZ-CB 4.03Å; F221-M236 HydrophobicContact CB-CB 3.96Å; F221-M236 HydrophobicContact CB-CG 4.26Å; F221-M236 HydrophobicContact CB-SD 3.82Å |
| 222 | E | 89.7 | Confident | 84.4 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 140 | -176 | -165.7 | 153.6 | 153.7 | 0 | 0 | 112 | P224 Q227 R229 | E222-P224 WeakPolarHBondContact O-CD 3.47Å; E222-Q227 HydrophobicContact CG-CB 4.42Å; E222-Q227 WeakPolarHBondContact OE1-CB 3.28Å; E222-Q227 PolarHBondContact OE1-NE2 3.2Å; E222-R229 HydrophobicContact CB-CG 4.38Å; E222-R229 HydrophobicContact CG-CG 3.99Å; E222-R229 WeakPolarHBondContact OE2-CD 3.45Å; E222-R229 IonicContact OE2-NE 2.7Å; E222-R229 PolarHBondContact OE2-NE 3.47Å |
| 223 | C | 89.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -81.3 | 116.4 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | I225 C226 Q227 Q228 F230 H239 | C223-I225 PolarHBondContact O-N 3.13Å; C223-C226 PolarHBondContact O-N 2.99Å; C223-Q227 WeakPolarHBondContact O-CA 3.39Å; C223-Q227 PolarHBondContact O-N 2.88Å; C223-Q227 PolarHBondContact O-OE1 3.29Å; C223-Q228 HydrophobicContact CB-CB 4.4Å; C223-Q228 WeakPolarHBondContact CB-O 3.42Å; C223-Q228 PolarHBondContact N-O 3.34Å; C223-F230 HydrophobicContact CB-CE2 4.16Å; C223-H239 PolarHBondContact SG-CD2 3.33Å | ||
| 224 | P | 85.4 | Confident | 84.6 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 64% | 0.643 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 8.7 | -174.3 | 31.7 | -38.5 | 0 | 0 | 0 | 115 | E222 | E222-P224 WeakPolarHBondContact O-CD 3.47Š|
| 225 | I | 87.8 | Confident | 84.8 | Confident | 98 Ų | 98 | 82.6 Ų | 82.6 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -28.7 | -178.7 | -57.2 | 173.2 | 0 | 0 | 0 | 111.1 | C223 V240 H243 | C223-I225 PolarHBondContact O-N 3.13Å; I225-V240 HydrophobicContact CD1-CG1 4.17Å; I225-H243 HydrophobicContact CD1-CB 3.71Å; I225-H243 HydrophobicContact CG2-CB 4.03Å |
| 226 | C | 88.6 | Confident | 85.2 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 35% | 0.345 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.9 | 15.1 | -175.8 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | C223 Q228 H239 H243 | C223-C226 PolarHBondContact O-N 2.99Å; C226-Q228 PolarHBondContact O-N 3.45Å; C226-H239 PolarHBondContact SG-NE2 2.62Å; C226-H243 PolarHBondContact SG-CE1 3.48Å; C226-H243 PolarHBondContact SG-NE2 3.48Å |
| 227 | Q | 86.8 | Confident | 85.7 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | trans | 52.7 | 14.2 | 179.8 | -50.5 | -47.9 | 93.1 | 0 | 0 | 116.1 | E222 C223 R229 | E222-Q227 HydrophobicContact CG-CB 4.42Å; E222-Q227 WeakPolarHBondContact OE1-CB 3.28Å; E222-Q227 PolarHBondContact OE1-NE2 3.2Å; C223-Q227 WeakPolarHBondContact O-CA 3.39Å; C223-Q227 PolarHBondContact O-N 2.88Å; C223-Q227 PolarHBondContact O-OE1 3.29Å; Q227-R229 WeakPolarHBondContact O-CG 3.37Å; Q227-R229 PolarHBondContact O-N 3.11Å | ||
| 228 | Q | 88.8 | Confident | 86.1 | Confident | 117 Ų | 117 | 76.8 Ų | 76.8 | 55% | 0.547 | 36% | 0.364 | S | S | . | . | trans | -66.9 | 126.5 | 176.1 | -78.2 | -64 | -30.2 | 0 | 0 | 111 | C223 C226 F230 | C223-Q228 HydrophobicContact CB-CB 4.4Å; C223-Q228 WeakPolarHBondContact CB-O 3.42Å; C223-Q228 PolarHBondContact N-O 3.34Å; C226-Q228 PolarHBondContact O-N 3.45Å; Q228-F230 HydrophobicContact CB-CE2 3.85Å; Q228-F230 HydrophobicContact CB-CZ 4.22Å; Q228-F230 VanDerWaalsContact O-CD2 3.24Å; Q228-F230 WeakPolarHBondContact O-CD2 3.49Å; Q228-F230 WeakPolarHBondContact O-CE2 3.28Å | ||
| 229 | R | 88.6 | Confident | 86.6 | Confident | 136 Ų | 136 | 73.3 Ų | 73.3 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.6 | -172.1 | -53 | -175.2 | 70.4 | -163.1 | 0.5 | 111.5 | K219 E222 Q227 | K219-R229 HydrophobicContact CB-CB 3.53Å; K219-R229 HydrophobicContact CD-CB 4.1Å; K219-R229 WeakPolarHBondContact CD-O 3.47Å; K219-R229 HydrophobicContact CG-CB 4.37Å; K219-R229 PolarHBondContact O-NE 2.94Å; K219-R229 PolarHBondContact O-NH2 3.35Å; E222-R229 HydrophobicContact CB-CG 4.38Å; E222-R229 HydrophobicContact CG-CG 3.99Å; E222-R229 WeakPolarHBondContact OE2-CD 3.45Å; E222-R229 IonicContact OE2-NE 2.7Å; E222-R229 PolarHBondContact OE2-NE 3.47Å; Q227-R229 WeakPolarHBondContact O-CG 3.37Å; Q227-R229 PolarHBondContact O-N 3.11Å |
| 230 | F | 86.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 20% | 0.202 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.2 | -175.1 | -64.6 | -92.6 | 0 | 0 | 0 | 111.8 | K219 F221 C223 Q228 R232 R235 M236 H239 | K219-F230 CarbonylContact C-O 3.57Å; K219-F230 WeakPolarHBondContact CA-O 3.46Å; F221-F230 HydrophobicContact CB-CB 4.39Å; F221-F230 PolarHBondContact N-O 3.3Å; F221-F230 PolarHBondContact O-N 3.27Å; C223-F230 HydrophobicContact CB-CE2 4.16Å; Q228-F230 HydrophobicContact CB-CE2 3.85Å; Q228-F230 HydrophobicContact CB-CZ 4.22Å; Q228-F230 VanDerWaalsContact O-CD2 3.24Å; Q228-F230 WeakPolarHBondContact O-CD2 3.49Å; Q228-F230 WeakPolarHBondContact O-CE2 3.28Å; F230-R232 PolarHBondContact O-N 3.5Å; F230-R235 HydrophobicContact CD1-CB 4.03Å; F230-M236 HydrophobicContact CB-CB 4.1Å; F230-M236 HydrophobicContact CD2-CB 3.87Å; F230-M236 HydrophobicContact CD2-CG 4.18Å; F230-M236 HydrophobicContact CG-CB 4.07Å; F230-H239 HydrophobicContact CE1-CB 4.05Å; F230-H239 HydrophobicContact CE2-CB 4.14Å; F230-H239 AromaticContact CE2-CD2 3.36Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.49Å; F230-H239 AromaticContact CE2-CG 3.91Å; F230-H239 HydrophobicContact CZ-CB 3.57Å; F230-H239 AromaticContact CZ-CD2 3.3Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.47Å; F230-H239 AromaticContact CZ-CG 3.39Å |
| 231 | K | 85.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 23% | 0.226 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -71 | -3 | 173.7 | -49.2 | -158.8 | -176.3 | -174.6 | 0 | 113.6 | L213 S216 D217 K219 | L213-K231 WeakPolarHBondContact O-CD 3.49Å; S216-K231 WeakPolarHBondContact O-CE 3.42Å; S216-K231 PolarHBondContact O-NZ 3.49Å; D217-K231 WeakPolarHBondContact OD1-CE 3.04Å; D217-K231 IonicContact OD1-NZ 2.71Å; D217-K231 PolarHBondContact OD1-NZ 3.04Å; K219-K231 HydrophobicContact CG-CG 3.69Å |
| 232 | R | 84.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -152.3 | 136.5 | -177.6 | -69.1 | 169.7 | 52.5 | 153.3 | -5.3 | 113.7 | F230 D234 R235 M236 | F230-R232 PolarHBondContact O-N 3.5Å; R232-D234 VanDerWaalsContact CB-OD1 3.3Å; R232-D234 WeakPolarHBondContact CB-OD1 3.41Å; R232-D234 IonicContact CZ-OD1 3.17Å; R232-D234 IonicContact CZ-OD2 3.1Å; R232-D234 IonicContact NE-OD1 3.45Å; R232-D234 PolarHBondContact NE-OD1 3.46Å; R232-D234 IonicContact NE-OD2 3.32Å; R232-D234 VanDerWaalsContact NH2-CG 3.26Å; R232-D234 IonicContact NH2-OD1 2.72Å; R232-D234 PolarHBondContact NH2-OD1 3.07Å; R232-D234 VanDerWaalsContact NH2-OD1 3.1Å; R232-D234 IonicContact NH2-OD2 2.78Å; R232-D234 PolarHBondContact NH2-OD2 2.86Å; R232-D234 PolarHBondContact O-N 2.88Å; R232-R235 HydrophobicContact CB-CB 4.39Å; R232-R235 HydrophobicContact CB-CG 4.18Å; R232-R235 PolarHBondContact O-N 3.19Å; R232-M236 PolarHBondContact O-N 3.31Å; R232-M236 VanDerWaalsContact O-N 3.14Å |
| 233 | K | 86 | Confident | 86.3 | Confident | 136 Ų | 136 | 71.2 Ų | 71.2 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -55.9 | -43 | 176.7 | -168.6 | 171 | -178.1 | 171.1 | 0 | 113.9 | F221 R235 M236 T237 | F221-K233 HydrophobicContact CD1-CB 3.67Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.45Å; F221-K233 HydrophobicContact CE1-CB 3.65Å; F221-K233 HydrophobicContact CE1-CD 4.33Å; F221-K233 HydrophobicContact CE1-CG 4.21Å; F221-K233 HydrophobicContact CE2-CB 4.42Å; F221-K233 HydrophobicContact CG-CB 4.08Å; F221-K233 HydrophobicContact CZ-CB 4.03Å; K233-R235 VanDerWaalsContact C-N 3.32Å; K233-R235 PolarHBondContact O-N 3.28Å; K233-M236 HydrophobicContact CG-CE 4.29Å; K233-M236 WeakPolarHBondContact O-CB 3.5Å; K233-M236 PolarHBondContact O-N 2.97Å; K233-T237 PolarHBondContact O-N 3.22Å; K233-T237 PolarHBondContact O-OG1 3.14Å; K233-T237 VanDerWaalsContact O-OG1 3.09Å |
| 234 | D | 84.8 | Confident | 85.6 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | -179.2 | 71.5 | -50.5 | 0 | 0 | 0 | 112 | R232 T237 Y238 | R232-D234 VanDerWaalsContact CB-OD1 3.3Å; R232-D234 WeakPolarHBondContact CB-OD1 3.41Å; R232-D234 IonicContact CZ-OD1 3.17Å; R232-D234 IonicContact CZ-OD2 3.1Å; R232-D234 IonicContact NE-OD1 3.45Å; R232-D234 PolarHBondContact NE-OD1 3.46Å; R232-D234 IonicContact NE-OD2 3.32Å; R232-D234 VanDerWaalsContact NH2-CG 3.26Å; R232-D234 IonicContact NH2-OD1 2.72Å; R232-D234 PolarHBondContact NH2-OD1 3.07Å; R232-D234 VanDerWaalsContact NH2-OD1 3.1Å; R232-D234 IonicContact NH2-OD2 2.78Å; R232-D234 PolarHBondContact NH2-OD2 2.86Å; R232-D234 PolarHBondContact O-N 2.88Å; D234-T237 PolarHBondContact O-N 2.83Å; D234-Y238 HydrophobicContact CB-CE2 4.18Å; D234-Y238 WeakPolarHBondContact O-CD2 3.14Å; D234-Y238 PolarHBondContact O-N 3.01Å |
| 235 | R | 86.9 | Confident | 84.7 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 175.7 | -63 | -50 | -163.1 | -167.1 | 5.5 | 112.2 | F230 R232 K233 Y238 H239 | F230-R235 HydrophobicContact CD1-CB 4.03Å; R232-R235 HydrophobicContact CB-CB 4.39Å; R232-R235 HydrophobicContact CB-CG 4.18Å; R232-R235 PolarHBondContact O-N 3.19Å; K233-R235 VanDerWaalsContact C-N 3.32Å; K233-R235 PolarHBondContact O-N 3.28Å; R235-Y238 PolarHBondContact O-N 3.08Å; R235-H239 WeakPolarHBondContact O-CB 3.45Å; R235-H239 PolarHBondContact O-N 3.06Å |
| 236 | M | 90.5 | Very high | 83.6 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.4 | -50.2 | 169.9 | -179.1 | -149.6 | 78.5 | 0 | 0 | 111.1 | F221 F230 R232 K233 Y238 H239 V240 | F221-M236 HydrophobicContact CB-CB 3.96Å; F221-M236 HydrophobicContact CB-CG 4.26Å; F221-M236 HydrophobicContact CB-SD 3.82Å; F230-M236 HydrophobicContact CB-CB 4.1Å; F230-M236 HydrophobicContact CD2-CB 3.87Å; F230-M236 HydrophobicContact CD2-CG 4.18Å; F230-M236 HydrophobicContact CG-CB 4.07Å; R232-M236 PolarHBondContact O-N 3.31Å; R232-M236 VanDerWaalsContact O-N 3.14Å; K233-M236 HydrophobicContact CG-CE 4.29Å; K233-M236 WeakPolarHBondContact O-CB 3.5Å; K233-M236 PolarHBondContact O-N 2.97Å; M236-Y238 PolarHBondContact O-N 3.18Å; M236-H239 PolarHBondContact O-N 2.87Å; M236-H239 VanDerWaalsContact O-N 3.08Å; M236-V240 WeakPolarHBondContact O-CG2 3.16Å; M236-V240 PolarHBondContact O-N 2.97Å |
| 237 | T | 86.6 | Confident | 82.5 | Confident | 51 Ų | 51 | 72.7 Ų | 72.7 | 31% | 0.313 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 179.2 | -58 | 0 | 0 | 0 | 0 | 113.1 | K233 D234 H239 V240 R241 | K233-T237 PolarHBondContact O-N 3.22Å; K233-T237 PolarHBondContact O-OG1 3.14Å; K233-T237 VanDerWaalsContact O-OG1 3.09Å; D234-T237 PolarHBondContact O-N 2.83Å; T237-H239 VanDerWaalsContact C-N 3.31Å; T237-H239 PolarHBondContact O-N 3.02Å; T237-V240 PolarHBondContact O-N 3.35Å; T237-R241 WeakPolarHBondContact O-CG 3.48Å; T237-R241 PolarHBondContact O-N 3.34Å |
| 238 | Y | 85.2 | Confident | 81.7 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.6 | -28.5 | 174.7 | -67 | -53.6 | 0 | 0 | 0 | 113.3 | D234 R235 M236 R262 | D234-Y238 HydrophobicContact CB-CE2 4.18Å; D234-Y238 WeakPolarHBondContact O-CD2 3.14Å; D234-Y238 PolarHBondContact O-N 3.01Å; R235-Y238 PolarHBondContact O-N 3.08Å; M236-Y238 PolarHBondContact O-N 3.18Å; Y238-R262 HydrophobicContact CD1-CB 4.48Å; Y238-R262 HydrophobicContact CD1-CG 3.33Å; Y238-R262 HydrophobicContact CD2-CG 4.18Å; Y238-R262 HydrophobicContact CE1-CG 3.74Å; Y238-R262 HydrophobicContact CG-CG 3.59Å |
| 239 | H | 87.3 | Confident | 81.4 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 19% | 0.194 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -78 | -37 | 174.7 | 169.2 | 64.1 | 0 | 0 | 0 | 112.6 | C223 C226 F230 R235 M236 T237 R241 S242 H243 | C223-H239 PolarHBondContact SG-CD2 3.33Å; C226-H239 PolarHBondContact SG-NE2 2.62Å; F230-H239 HydrophobicContact CE1-CB 4.05Å; F230-H239 HydrophobicContact CE2-CB 4.14Å; F230-H239 AromaticContact CE2-CD2 3.36Å; F230-H239 WeakPolarHBondContact CE2-CD2 3.49Å; F230-H239 AromaticContact CE2-CG 3.91Å; F230-H239 HydrophobicContact CZ-CB 3.57Å; F230-H239 AromaticContact CZ-CD2 3.3Å; F230-H239 WeakPolarHBondContact CZ-CD2 3.47Å; F230-H239 AromaticContact CZ-CG 3.39Å; R235-H239 WeakPolarHBondContact O-CB 3.45Å; R235-H239 PolarHBondContact O-N 3.06Å; M236-H239 PolarHBondContact O-N 2.87Å; M236-H239 VanDerWaalsContact O-N 3.08Å; T237-H239 VanDerWaalsContact C-N 3.31Å; T237-H239 PolarHBondContact O-N 3.02Å; H239-R241 PolarHBondContact O-N 3.46Å; H239-S242 PolarHBondContact ND1-OG 3.04Å; H239-S242 WeakPolarHBondContact O-CA 3.49Å; H239-S242 WeakPolarHBondContact O-CB 3.35Å; H239-S242 PolarHBondContact O-N 2.96Å; H239-S242 PolarHBondContact O-OG 3.08Å; H239-H243 AromaticContact CD2-NE2 3.89Å; H239-H243 AromaticContact CE1-CE1 3.94Å; H239-H243 AromaticContact CE1-NE2 3.29Å; H239-H243 PolarHBondContact CE1-NE2 2.99Å; H239-H243 VanDerWaalsContact CE1-NE2 3.29Å; H239-H243 AromaticContact NE2-CD2 3.95Å; H239-H243 AromaticContact NE2-CE1 3.97Å; H239-H243 AromaticContact NE2-NE2 3.06Å; H239-H243 PolarHBondContact NE2-NE2 3.34Å |
| 240 | V | 85.2 | Confident | 81 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.7 | -42.2 | 171.3 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | I225 M236 T237 S242 H243 | I225-V240 HydrophobicContact CD1-CG1 4.17Å; M236-V240 WeakPolarHBondContact O-CG2 3.16Å; M236-V240 PolarHBondContact O-N 2.97Å; T237-V240 PolarHBondContact O-N 3.35Å; V240-S242 PolarHBondContact O-N 2.78Å; V240-S242 VanDerWaalsContact O-N 3.07Å; V240-H243 PolarHBondContact O-N 2.81Å |
| 241 | R | 84.4 | Confident | 80.9 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -3.9 | 173.1 | -65.6 | 176.4 | -176.3 | 175.7 | -0.5 | 115.8 | T237 H239 S261 | T237-R241 WeakPolarHBondContact O-CG 3.48Å; T237-R241 PolarHBondContact O-N 3.34Å; H239-R241 PolarHBondContact O-N 3.46Å; R241-S261 PolarHBondContact NH1-O 2.87Å; R241-S261 VanDerWaalsContact NH1-O 3.11Å |
| 242 | S | 82.2 | Confident | 80.9 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -96.7 | -17.6 | 173.9 | 59.3 | 0 | 0 | 0 | 0 | 114 | H239 V240 | H239-S242 PolarHBondContact ND1-OG 3.04Å; H239-S242 WeakPolarHBondContact O-CA 3.49Å; H239-S242 WeakPolarHBondContact O-CB 3.35Å; H239-S242 PolarHBondContact O-N 2.96Å; H239-S242 PolarHBondContact O-OG 3.08Å; V240-S242 PolarHBondContact O-N 2.78Å; V240-S242 VanDerWaalsContact O-N 3.07Å |
| 243 | H | 81.2 | Confident | 81.2 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 35% | 0.352 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74 | -34.8 | 172.2 | -69.3 | -72.9 | 0 | 0 | 0 | 112.3 | I225 C226 H239 V240 G245 | I225-H243 HydrophobicContact CD1-CB 3.71Å; I225-H243 HydrophobicContact CG2-CB 4.03Å; C226-H243 PolarHBondContact SG-CE1 3.48Å; C226-H243 PolarHBondContact SG-NE2 3.48Å; H239-H243 AromaticContact CD2-NE2 3.89Å; H239-H243 AromaticContact CE1-CE1 3.94Å; H239-H243 AromaticContact CE1-NE2 3.29Å; H239-H243 PolarHBondContact CE1-NE2 2.99Å; H239-H243 VanDerWaalsContact CE1-NE2 3.29Å; H239-H243 AromaticContact NE2-CD2 3.95Å; H239-H243 AromaticContact NE2-CE1 3.97Å; H239-H243 AromaticContact NE2-NE2 3.06Å; H239-H243 PolarHBondContact NE2-NE2 3.34Å; V240-H243 PolarHBondContact O-N 2.81Å; H243-G245 PolarHBondContact O-N 2.85Å |
| 244 | D | 74.5 | Confident | 81.1 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -66.6 | 23.7 | 176.1 | 179.4 | -116.7 | 0 | 0 | 0 | 114 | G246 V247 H248 | D244-G246 PolarHBondContact O-N 2.96Å; D244-V247 WeakPolarHBondContact O-CG2 3.49Å; D244-V247 PolarHBondContact O-N 3.18Å; D244-V247 PolarHBondContact OD1-N 3.06Å; D244-H248 WeakPolarHBondContact OD1-CB 3.41Å; D244-H248 PolarHBondContact OD1-N 2.9Å |
| 245 | G | 66.3 | Low | 81.1 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 3.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H243 | H243-G245 PolarHBondContact O-N 2.85Š|
| 246 | G | 64.6 | Low | 81.1 | Confident | 12 Ų | 12 | 66 Ų | 66 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 37 | -162.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D244 K249 | D244-G246 PolarHBondContact O-N 2.96Å; G246-K249 WeakPolarHBondContact O-CD 3.5Å; G246-K249 WeakPolarHBondContact O-CE 3.47Å; G246-K249 VanDerWaalsContact O-CG 3.23Å; G246-K249 WeakPolarHBondContact O-CG 3.43Å; G246-K249 PolarHBondContact O-NZ 3.11Å |
| 247 | V | 65.8 | Low | 80.7 | Confident | 122 Ų | 122 | 67.1 Ų | 67.1 | 74% | 0.739 | 40% | 0.402 | S | S | * | . | trans | -67 | -45.1 | 164.7 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | D244 K249 | D244-V247 WeakPolarHBondContact O-CG2 3.49Å; D244-V247 PolarHBondContact O-N 3.18Å; D244-V247 PolarHBondContact OD1-N 3.06Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 2.85Å | ||
| 248 | H | 70.5 | Confident | 80.7 | Confident | 110 Ų | 110 | 71 Ų | 71 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | trans | -74.8 | 74.1 | 178.1 | -154.3 | -47.8 | 0 | 0 | 0 | 113.1 | D244 P250 | D244-H248 WeakPolarHBondContact OD1-CB 3.41Å; D244-H248 PolarHBondContact OD1-N 2.9Å; H248-P250 VanDerWaalsContact C-CD 3.46Å; H248-P250 WeakPolarHBondContact O-CD 3.36Å | ||
| 249 | K | 81.3 | Confident | 80.7 | Confident | 97 Ų | 97 | 69.8 Ų | 69.8 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | trans | -103.4 | 75 | 177.4 | -77.7 | 161.1 | 174.6 | 131.6 | 0 | 112.8 | G246 V247 Y251 G259 F260 | G246-K249 WeakPolarHBondContact O-CD 3.5Å; G246-K249 WeakPolarHBondContact O-CE 3.47Å; G246-K249 VanDerWaalsContact O-CG 3.23Å; G246-K249 WeakPolarHBondContact O-CG 3.43Å; G246-K249 PolarHBondContact O-NZ 3.11Å; V247-K249 VanDerWaalsContact C-N 3.31Å; V247-K249 PolarHBondContact O-N 2.85Å; K249-Y251 PolarHBondContact O-N 3.22Å; K249-Y251 VanDerWaalsContact O-N 3.14Å; K249-G259 VanDerWaalsContact CD-O 3.3Å; K249-G259 WeakPolarHBondContact CD-O 3.32Å; K249-F260 CarbonylContact C-O 3.38Å; K249-F260 WeakPolarHBondContact CA-O 3.43Å | ||
| 250 | P | 80.4 | Confident | 80.6 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | trans | -74.8 | -1.2 | -173.8 | 33 | -37.9 | 0 | 0 | 0 | 114.7 | H248 | H248-P250 VanDerWaalsContact C-CD 3.46Å; H248-P250 WeakPolarHBondContact O-CD 3.36Å | ||
| 251 | Y | 84.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 28% | 0.282 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 90.2 | 179.2 | -54.4 | -71.9 | 0 | 0 | 0 | 109.9 | K249 F260 P263 | K249-Y251 PolarHBondContact O-N 3.22Å; K249-Y251 VanDerWaalsContact O-N 3.14Å; Y251-F260 WeakPolarHBondContact CB-O 3.38Å; Y251-F260 PolarHBondContact N-O 3.38Å; Y251-F260 VanDerWaalsContact N-O 3.13Å; Y251-F260 PolarHBondContact O-N 2.69Å; Y251-P263 HydrophobicContact CD1-CB 3.94Å; Y251-P263 HydrophobicContact CD2-CB 4.36Å; Y251-P263 HydrophobicContact CE1-CB 3.83Å; Y251-P263 HydrophobicContact CE1-CG 4.35Å; Y251-P263 HydrophobicContact CE2-CB 4.25Å; Y251-P263 VanDerWaalsContact CE2-CD 3.46Å; Y251-P263 HydrophobicContact CE2-CG 4.23Å; Y251-P263 HydrophobicContact CG-CB 4.2Å |
| 252 | V | 86.8 | Confident | 80.6 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 139.8 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | G257 | V252-G257 WeakPolarHBondContact CG1-O 3.39Å |
| 253 | C | 90 | Very high | 80.7 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | trans | -77.5 | 116.5 | 171.1 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | V255 C256 G257 K258 F260 L266 H269 | C253-V255 PolarHBondContact O-N 3.47Å; C253-V255 VanDerWaalsContact O-N 3.17Å; C253-C256 PolarHBondContact O-N 2.94Å; C253-G257 WeakPolarHBondContact O-CA 3.45Å; C253-G257 PolarHBondContact O-N 3.29Å; C253-K258 WeakPolarHBondContact CB-O 3.09Å; C253-K258 PolarHBondContact N-O 3.28Å; C253-F260 HydrophobicContact CB-CE2 4.37Å; C253-L266 HydrophobicContact CB-CD1 3.64Å; C253-H269 PolarHBondContact SG-NE2 2.71Å; C253-H269 VanDerWaalsContact SG-NE2 3.4Å | ||
| 254 | S | 85.1 | Confident | 81 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16 | 177.5 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 255 | V | 84.8 | Confident | 81.5 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -22.9 | -176.3 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | C253 H274 | C253-V255 PolarHBondContact O-N 3.47Å; C253-V255 VanDerWaalsContact O-N 3.17Å; V255-H274 HydrophobicContact CG1-CB 4.32Å; V255-H274 WeakPolarHBondContact CG1-ND1 3.31Å |
| 256 | C | 85.1 | Confident | 82.6 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.5 | 13.8 | -178.1 | 70.2 | 0 | 0 | 0 | 0 | 115.7 | C253 K258 H269 H274 | C253-C256 PolarHBondContact O-N 2.94Å; C256-K258 PolarHBondContact O-N 2.77Å; C256-H269 PolarHBondContact SG-NE2 3.15Å; C256-H274 PolarHBondContact SG-NE2 3.34Å |
| 257 | G | 83.6 | Confident | 83.6 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | trans | 67.5 | -4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | V252 C253 G259 | V252-G257 WeakPolarHBondContact CG1-O 3.39Å; C253-G257 WeakPolarHBondContact O-CA 3.45Å; C253-G257 PolarHBondContact O-N 3.29Å; G257-G259 PolarHBondContact O-N 3.5Å | ||
| 258 | K | 85.8 | Confident | 84.6 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 58% | 0.578 | 37% | 0.372 | S | S | * | . | trans | -69.6 | 120.6 | -175.3 | -68.5 | -175.5 | -179.7 | -176.4 | 0 | 111.6 | C253 C256 F260 | C253-K258 WeakPolarHBondContact CB-O 3.09Å; C253-K258 PolarHBondContact N-O 3.28Å; C256-K258 PolarHBondContact O-N 2.77Å; K258-F260 HydrophobicContact CB-CE2 4.03Å; K258-F260 HydrophobicContact CB-CZ 4.22Å; K258-F260 WeakPolarHBondContact O-CD2 2.92Å; K258-F260 WeakPolarHBondContact O-CE2 3.44Å | ||
| 259 | G | 85.9 | Confident | 85.3 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | K249 G257 | K249-G259 VanDerWaalsContact CD-O 3.3Å; K249-G259 WeakPolarHBondContact CD-O 3.32Å; G257-G259 PolarHBondContact O-N 3.5Å |
| 260 | F | 84.3 | Confident | 85.5 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 19% | 0.189 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.8 | 177.6 | -59.8 | -89.1 | 0 | 0 | 0 | 111.4 | K249 Y251 C253 K258 R262 H265 L266 H269 | K249-F260 CarbonylContact C-O 3.38Å; K249-F260 WeakPolarHBondContact CA-O 3.43Å; Y251-F260 WeakPolarHBondContact CB-O 3.38Å; Y251-F260 PolarHBondContact N-O 3.38Å; Y251-F260 VanDerWaalsContact N-O 3.13Å; Y251-F260 PolarHBondContact O-N 2.69Å; C253-F260 HydrophobicContact CB-CE2 4.37Å; K258-F260 HydrophobicContact CB-CE2 4.03Å; K258-F260 HydrophobicContact CB-CZ 4.22Å; K258-F260 WeakPolarHBondContact O-CD2 2.92Å; K258-F260 WeakPolarHBondContact O-CE2 3.44Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 3.48Å; F260-H265 HydrophobicContact CB-CB 4.43Å; F260-H265 HydrophobicContact CD1-CB 4.01Å; F260-H265 HydrophobicContact CG-CB 4.48Å; F260-L266 HydrophobicContact CB-CB 4.29Å; F260-L266 HydrophobicContact CD2-CB 3.9Å; F260-L266 HydrophobicContact CD2-CD1 3.85Å; F260-L266 HydrophobicContact CD2-CG 4.47Å; F260-L266 HydrophobicContact CE2-CD1 4.03Å; F260-L266 HydrophobicContact CG-CB 4.24Å; F260-H269 HydrophobicContact CE1-CB 3.99Å; F260-H269 HydrophobicContact CE2-CB 3.98Å; F260-H269 AromaticContact CE2-CD2 3.34Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.4Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.49Å; F260-H269 VanDerWaalsContact CZ-CB 3.49Å; F260-H269 AromaticContact CZ-CD2 3.43Å; F260-H269 VanDerWaalsContact CZ-CD2 3.43Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.28Å; F260-H269 AromaticContact CZ-ND1 3.88Å |
| 261 | S | 84.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -75.5 | -13.5 | 175 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | R241 | R241-S261 PolarHBondContact NH1-O 2.87Å; R241-S261 VanDerWaalsContact NH1-O 3.11Å |
| 262 | R | 85.3 | Confident | 85.4 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -135.3 | 138.8 | -171.9 | -87.1 | 171.1 | 65.8 | 175.6 | -3.3 | 112.7 | Y238 F260 D264 H265 L266 | Y238-R262 HydrophobicContact CD1-CB 4.48Å; Y238-R262 HydrophobicContact CD1-CG 3.33Å; Y238-R262 HydrophobicContact CD2-CG 4.18Å; Y238-R262 HydrophobicContact CE1-CG 3.74Å; Y238-R262 HydrophobicContact CG-CG 3.59Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 3.48Å; R262-D264 WeakPolarHBondContact CB-OD1 3.48Å; R262-D264 IonicContact CZ-OD1 3.81Å; R262-D264 IonicContact CZ-OD2 2.77Å; R262-D264 IonicContact NE-OD1 3.59Å; R262-D264 PolarHBondContact NE-OD1 2.93Å; R262-D264 IonicContact NE-OD2 2.73Å; R262-D264 PolarHBondContact NE-OD2 3.06Å; R262-D264 IonicContact NH2-OD1 2.91Å; R262-D264 IonicContact NH2-OD2 3.64Å; R262-D264 PolarHBondContact NH2-OD2 3.29Å; R262-H265 HydrophobicContact CB-CB 4.12Å; R262-H265 PolarHBondContact NE-NE2 3.45Å; R262-H265 PolarHBondContact NH1-NE2 3.48Å; R262-H265 PolarHBondContact NH2-CE1 3.27Å; R262-H265 VanDerWaalsContact NH2-CE1 3.3Å; R262-H265 PolarHBondContact O-N 3.08Å; R262-L266 PolarHBondContact O-N 3.04Å |
| 263 | P | 85.8 | Confident | 85.1 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.3 | -29.5 | -178.1 | 31 | -32.9 | 0 | 0 | 0 | 112.2 | Y251 H265 L266 S267 | Y251-P263 HydrophobicContact CD1-CB 3.94Å; Y251-P263 HydrophobicContact CD2-CB 4.36Å; Y251-P263 HydrophobicContact CE1-CB 3.83Å; Y251-P263 HydrophobicContact CE1-CG 4.35Å; Y251-P263 HydrophobicContact CE2-CB 4.25Å; Y251-P263 VanDerWaalsContact CE2-CD 3.46Å; Y251-P263 HydrophobicContact CE2-CG 4.23Å; Y251-P263 HydrophobicContact CG-CB 4.2Å; P263-H265 VanDerWaalsContact C-N 3.32Å; P263-L266 PolarHBondContact O-N 3.13Å; P263-S267 WeakPolarHBondContact O-CB 3.3Å; P263-S267 PolarHBondContact O-N 3.13Å |
| 264 | D | 85.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.6 | -31.3 | 175.7 | 64.5 | -71.8 | 0 | 0 | 0 | 111.9 | R262 C268 | R262-D264 WeakPolarHBondContact CB-OD1 3.48Å; R262-D264 IonicContact CZ-OD1 3.81Å; R262-D264 IonicContact CZ-OD2 2.77Å; R262-D264 IonicContact NE-OD1 3.59Å; R262-D264 PolarHBondContact NE-OD1 2.93Å; R262-D264 IonicContact NE-OD2 2.73Å; R262-D264 PolarHBondContact NE-OD2 3.06Å; R262-D264 IonicContact NH2-OD1 2.91Å; R262-D264 IonicContact NH2-OD2 3.64Å; R262-D264 PolarHBondContact NH2-OD2 3.29Å; D264-C268 WeakPolarHBondContact O-CB 3.36Å; D264-C268 PolarHBondContact O-N 3.39Å; D264-C268 PolarHBondContact O-SG 3.39Å; D264-C268 VanDerWaalsContact O-SG 3.34Å |
| 265 | H | 86.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.4 | -41.8 | 173.6 | -65.8 | -11.3 | 0 | 0 | 0 | 112 | F260 R262 P263 C268 H269 | F260-H265 HydrophobicContact CB-CB 4.43Å; F260-H265 HydrophobicContact CD1-CB 4.01Å; F260-H265 HydrophobicContact CG-CB 4.48Å; R262-H265 HydrophobicContact CB-CB 4.12Å; R262-H265 PolarHBondContact NE-NE2 3.45Å; R262-H265 PolarHBondContact NH1-NE2 3.48Å; R262-H265 PolarHBondContact NH2-CE1 3.27Å; R262-H265 VanDerWaalsContact NH2-CE1 3.3Å; R262-H265 PolarHBondContact O-N 3.08Å; P263-H265 VanDerWaalsContact C-N 3.32Å; H265-C268 PolarHBondContact O-N 3.31Å; H265-H269 VanDerWaalsContact O-CB 3.28Å; H265-H269 WeakPolarHBondContact O-CB 3.48Å; H265-H269 PolarHBondContact O-N 3.4Å |
| 266 | L | 88.3 | Confident | 83.5 | Confident | 33 Ų | 33 | 63 Ų | 63 | 17% | 0.173 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -48 | 170.5 | 172.6 | 59.9 | 0 | 0 | 0 | 111.5 | C253 F260 R262 P263 C268 H269 V270 | C253-L266 HydrophobicContact CB-CD1 3.64Å; F260-L266 HydrophobicContact CB-CB 4.29Å; F260-L266 HydrophobicContact CD2-CB 3.9Å; F260-L266 HydrophobicContact CD2-CD1 3.85Å; F260-L266 HydrophobicContact CD2-CG 4.47Å; F260-L266 HydrophobicContact CE2-CD1 4.03Å; F260-L266 HydrophobicContact CG-CB 4.24Å; R262-L266 PolarHBondContact O-N 3.04Å; P263-L266 PolarHBondContact O-N 3.13Å; L266-C268 PolarHBondContact O-N 3.17Å; L266-H269 PolarHBondContact O-N 3.38Å; L266-V270 HydrophobicContact CD1-CG2 3.88Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 3.38Å |
| 267 | S | 86.9 | Confident | 82.9 | Confident | 57 Ų | 57 | 67.6 Ų | 67.6 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | -179 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | P263 K271 | P263-S267 WeakPolarHBondContact O-CB 3.3Å; P263-S267 PolarHBondContact O-N 3.13Å; S267-K271 WeakPolarHBondContact O-CB 3.36Å; S267-K271 VanDerWaalsContact O-CG 3.28Å; S267-K271 WeakPolarHBondContact O-CG 3.2Å; S267-K271 PolarHBondContact O-N 2.86Å; S267-K271 VanDerWaalsContact O-N 3.17Å |
| 268 | C | 84.9 | Confident | 82.4 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 39% | 0.392 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 172.2 | -72.9 | 0 | 0 | 0 | 0 | 112.1 | D264 H265 L266 K271 H272 | D264-C268 WeakPolarHBondContact O-CB 3.36Å; D264-C268 PolarHBondContact O-N 3.39Å; D264-C268 PolarHBondContact O-SG 3.39Å; D264-C268 VanDerWaalsContact O-SG 3.34Å; H265-C268 PolarHBondContact O-N 3.31Å; L266-C268 PolarHBondContact O-N 3.17Å; C268-K271 CarbonylContact O-C 3.5Å; C268-K271 PolarHBondContact O-N 3.19Å; C268-H272 VanDerWaalsContact O-CB 3.26Å; C268-H272 WeakPolarHBondContact O-CB 3.4Å; C268-H272 PolarHBondContact O-CD2 2.78Å; C268-H272 PolarHBondContact O-N 3.19Å; C268-H272 PolarHBondContact O-ND1 3.1Å |
| 269 | H | 86.9 | Confident | 82 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 11% | 0.106 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 177.5 | 161.2 | 65.2 | 0 | 0 | 0 | 112 | C253 C256 F260 H265 L266 K271 H272 V273 H274 | C253-H269 PolarHBondContact SG-NE2 2.71Å; C253-H269 VanDerWaalsContact SG-NE2 3.4Å; C256-H269 PolarHBondContact SG-NE2 3.15Å; F260-H269 HydrophobicContact CE1-CB 3.99Å; F260-H269 HydrophobicContact CE2-CB 3.98Å; F260-H269 AromaticContact CE2-CD2 3.34Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.4Å; F260-H269 AromaticContact CE2-CG 3.69Å; F260-H269 HydrophobicContact CZ-CB 3.49Å; F260-H269 VanDerWaalsContact CZ-CB 3.49Å; F260-H269 AromaticContact CZ-CD2 3.43Å; F260-H269 VanDerWaalsContact CZ-CD2 3.43Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.28Å; F260-H269 AromaticContact CZ-ND1 3.88Å; H265-H269 VanDerWaalsContact O-CB 3.28Å; H265-H269 WeakPolarHBondContact O-CB 3.48Å; H265-H269 PolarHBondContact O-N 3.4Å; L266-H269 PolarHBondContact O-N 3.38Å; H269-K271 VanDerWaalsContact C-N 3.3Å; H269-K271 PolarHBondContact O-N 2.7Å; H269-H272 PolarHBondContact O-N 2.92Å; H269-H272 VanDerWaalsContact O-N 3.07Å; H269-V273 WeakPolarHBondContact ND1-CG2 3.43Å; H269-V273 WeakPolarHBondContact O-CB 3.31Å; H269-V273 PolarHBondContact O-N 3.08Å; H269-H274 AromaticContact CE1-NE2 3.7Å; H269-H274 AromaticContact NE2-CD2 3.82Å; H269-H274 AromaticContact NE2-NE2 3.46Å; H269-H274 PolarHBondContact NE2-NE2 3.36Å |
| 270 | V | 84.9 | Confident | 81.6 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -56.8 | -46.7 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | L266 H272 H274 S275 | L266-V270 HydrophobicContact CD1-CG2 3.88Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 3.38Å; V270-H272 VanDerWaalsContact C-N 3.31Å; V270-H272 PolarHBondContact O-N 2.83Å; V270-H274 HydrophobicContact CG1-CB 4.49Å; V270-H274 CarbonylContact O-C 3.58Å; V270-H274 WeakPolarHBondContact O-CA 3.26Å; V270-H274 WeakPolarHBondContact O-CB 3.45Å; V270-H274 PolarHBondContact O-N 2.88Å; V270-S275 PolarHBondContact O-N 2.81Å |
| 271 | K | 83.5 | Confident | 81.4 | Confident | 120 Ų | 120 | 77.4 Ų | 77.4 | 52% | 0.522 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -66.7 | -24.2 | 177.5 | -72.3 | 174.9 | 179.4 | 177.9 | 0 | 114.7 | S267 C268 H269 S275 A292 | S267-K271 WeakPolarHBondContact O-CB 3.36Å; S267-K271 VanDerWaalsContact O-CG 3.28Å; S267-K271 WeakPolarHBondContact O-CG 3.2Å; S267-K271 PolarHBondContact O-N 2.86Å; S267-K271 VanDerWaalsContact O-N 3.17Å; C268-K271 CarbonylContact O-C 3.5Å; C268-K271 PolarHBondContact O-N 3.19Å; H269-K271 VanDerWaalsContact C-N 3.3Å; H269-K271 PolarHBondContact O-N 2.7Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; K271-A292 WeakPolarHBondContact O-CB 3.28Å |
| 272 | H | 80.4 | Confident | 81.3 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | I | π-helix | trans | -97.8 | -26.5 | -177 | -66.4 | 174 | 0 | 0 | 0 | 113.8 | C268 H269 V270 T293 | C268-H272 VanDerWaalsContact O-CB 3.26Å; C268-H272 WeakPolarHBondContact O-CB 3.4Å; C268-H272 PolarHBondContact O-CD2 2.78Å; C268-H272 PolarHBondContact O-N 3.19Å; C268-H272 PolarHBondContact O-ND1 3.1Å; H269-H272 PolarHBondContact O-N 2.92Å; H269-H272 VanDerWaalsContact O-N 3.07Å; V270-H272 VanDerWaalsContact C-N 3.31Å; V270-H272 PolarHBondContact O-N 2.83Å; H272-T293 WeakPolarHBondContact NE2-CG2 3.36Å; H272-T293 PolarHBondContact NE2-OG1 3.46Å |
| 273 | V | 80.1 | Confident | 80.7 | Confident | 93 Ų | 93 | 82.1 Ų | 82.1 | 56% | 0.564 | 43% | 0.428 | S | S | * | . | I | π-helix | trans | -113.6 | -31.3 | -171.6 | -177 | 0 | 0 | 0 | 0 | 112.2 | H269 | H269-V273 WeakPolarHBondContact ND1-CG2 3.43Å; H269-V273 WeakPolarHBondContact O-CB 3.31Å; H269-V273 PolarHBondContact O-N 3.08Å |
| 274 | H | 80 | Confident | 80.2 | Confident | 63 Ų | 63 | 81.9 Ų | 81.9 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | I | π-helix | trans | -113.4 | -1.4 | -177.3 | -57.5 | -57.9 | 0 | 0 | 0 | 113.6 | V255 C256 H269 V270 | V255-H274 HydrophobicContact CG1-CB 4.32Å; V255-H274 WeakPolarHBondContact CG1-ND1 3.31Å; C256-H274 PolarHBondContact SG-NE2 3.34Å; H269-H274 AromaticContact CE1-NE2 3.7Å; H269-H274 AromaticContact NE2-CD2 3.82Å; H269-H274 AromaticContact NE2-NE2 3.46Å; H269-H274 PolarHBondContact NE2-NE2 3.36Å; V270-H274 HydrophobicContact CG1-CB 4.49Å; V270-H274 CarbonylContact O-C 3.58Å; V270-H274 WeakPolarHBondContact O-CA 3.26Å; V270-H274 WeakPolarHBondContact O-CB 3.45Å; V270-H274 PolarHBondContact O-N 2.88Å |
| 275 | S | 76.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | trans | -81.5 | 113.8 | 168.1 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | V270 K271 E277 | V270-S275 PolarHBondContact O-N 2.81Å; K271-S275 WeakPolarHBondContact O-CB 3.44Å; S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-O 2.94Å | ||
| 276 | S | 69.1 | Low | 78.4 | Confident | 118 Ų | 118 | 87.2 Ų | 87.2 | 83% | 0.825 | 48% | 0.475 | S | S | * | . | trans | -65.4 | -32.8 | 163.4 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | R278 | S276-R278 PolarHBondContact O-N 3.09Š| ||
| 277 | E | 72.4 | Confident | 77.6 | Confident | 144 Ų | 144 | 86.5 Ų | 86.5 | 67% | 0.673 | 47% | 0.473 | S | S | * | . | trans | -67.4 | 119.7 | 174.7 | -65.3 | -178.3 | -163 | 0 | 0 | 111.3 | S275 P279 | S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-O 2.94Å; E277-P279 VanDerWaalsContact C-CD 3.44Å; E277-P279 WeakPolarHBondContact O-CD 3.21Å | ||
| 278 | R | 74.1 | Confident | 77.1 | Confident | 139 Ų | 139 | 91 Ų | 91 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | trans | -124.1 | 67 | 176.9 | -62.9 | 172.1 | 76.4 | 134.2 | -4.1 | 109.9 | S276 F280 A290 F291 | S276-R278 PolarHBondContact O-N 3.09Å; R278-F280 PolarHBondContact O-N 3.38Å; R278-A290 HydrophobicContact CB-CB 3.95Å; R278-A290 VanDerWaalsContact CZ-O 3.29Å; R278-A290 PolarHBondContact NE-O 2.96Å; R278-A290 PolarHBondContact NH2-O 3.37Å; R278-F291 CarbonylContact C-O 3.52Å; R278-F291 WeakPolarHBondContact CA-O 3.32Å | ||
| 279 | P | 76.1 | Confident | 76.7 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | trans | -68.6 | -17 | -167.6 | 26.9 | -35.5 | 0 | 0 | 0 | 114.5 | E277 K281 | E277-P279 VanDerWaalsContact C-CD 3.44Å; E277-P279 WeakPolarHBondContact O-CD 3.21Å; P279-K281 PolarHBondContact O-N 2.9Å | ||
| 280 | F | 78.1 | Confident | 76.3 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 79.9 | -179 | -57.5 | -77.8 | 0 | 0 | 0 | 110.5 | R278 F291 A292 T293 K294 L297 | R278-F280 PolarHBondContact O-N 3.38Å; F280-F291 HydrophobicContact CB-CB 4.33Å; F280-F291 WeakPolarHBondContact CB-O 3.2Å; F280-F291 PolarHBondContact N-O 3.41Å; F280-F291 PolarHBondContact O-N 3.14Å; F280-A292 WeakPolarHBondContact CD2-O 3.11Å; F280-A292 WeakPolarHBondContact CE2-O 3.45Å; F280-T293 VanDerWaalsContact CD2-C 3.49Å; F280-T293 VanDerWaalsContact CD2-CA 3.47Å; F280-K294 HydrophobicContact CD1-CB 4.01Å; F280-K294 HydrophobicContact CE1-CB 3.83Å; F280-K294 HydrophobicContact CE1-CG 4.48Å; F280-K294 HydrophobicContact CZ-CB 4.18Å; F280-L297 HydrophobicContact CB-CB 4.14Å; F280-L297 HydrophobicContact CB-CD2 3.91Å |
| 281 | K | 79.9 | Confident | 76.1 | Confident | 158 Ų | 158 | 88.6 Ų | 88.6 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 149.8 | 171.5 | -61.2 | -174.6 | -178.9 | -177.9 | 0 | 111 | P279 A290 L297 | P279-K281 PolarHBondContact O-N 2.9Å; K281-A290 HydrophobicContact CG-CB 4.15Å; K281-L297 WeakPolarHBondContact O-CD2 3.37Å |
| 282 | C | 81.4 | Confident | 75.9 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 10% | 0.101 | 47% | 0.469 | C | S | . | . | trans | -70.1 | 143.3 | 165.5 | -172.6 | 0 | 0 | 0 | 0 | 110 | V284 C287 S289 L297 H300 M301 H304 | C282-V284 PolarHBondContact SG-N 3.41Å; C282-C287 HydrophobicContact CB-CB 4.47Å; C282-S289 WeakPolarHBondContact CB-O 3.43Å; C282-S289 PolarHBondContact N-O 3.32Å; C282-L297 HydrophobicContact CB-CD1 4.35Å; C282-H300 PolarHBondContact SG-NE2 2.78Å; C282-H300 VanDerWaalsContact SG-NE2 3.41Å; C282-M301 VanDerWaalsContact SG-SD 3.69Å; C282-H304 PolarHBondContact SG-NE2 3.2Å | ||
| 283 | Q | 74.5 | Confident | 75.9 | Confident | 171 Ų | 171 | 81.2 Ų | 81.2 | 80% | 0.799 | 46% | 0.459 | S | S | * | . | trans | -92.5 | -7.8 | 179.8 | -162.3 | 59.5 | 43.3 | 0 | 0 | 112.9 | T285 | Q283-T285 PolarHBondContact O-N 2.73Š| ||
| 284 | V | 73.8 | Confident | 75.9 | Confident | 47 Ų | 47 | 82.9 Ų | 82.9 | 29% | 0.285 | 46% | 0.459 | S | S | . | . | trans | -78.1 | 120.7 | 177.6 | -180 | 0 | 0 | 0 | 0 | 108.9 | C282 A286 C287 M301 H304 | C282-V284 PolarHBondContact SG-N 3.41Å; V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 HydrophobicContact CG1-CB 4.45Å; V284-A286 PolarHBondContact O-N 3.14Å; V284-C287 HydrophobicContact CB-CB 4.31Å; V284-C287 PolarHBondContact O-N 2.87Å; V284-M301 HydrophobicContact CG2-CE 3.97Å; V284-H304 HydrophobicContact CG2-CB 4.04Å | ||
| 285 | T | 66.6 | Low | 76 | Confident | 148 Ų | 148 | 84.3 Ų | 84.3 | 91% | 0.908 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37 | -175.2 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | Q283 C287 | Q283-T285 PolarHBondContact O-N 2.73Å; T285-C287 PolarHBondContact O-N 3.14Å |
| 286 | A | 67.7 | Low | 76.1 | Confident | 98 Ų | 98 | 89.9 Ų | 89.9 | 81% | 0.81 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 8.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V284 | V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 HydrophobicContact CG1-CB 4.45Å; V284-A286 PolarHBondContact O-N 3.14Å |
| 287 | C | 71.9 | Confident | 76.8 | Confident | 19 Ų | 19 | 85.6 Ų | 85.6 | 13% | 0.128 | 45% | 0.451 | C | S | . | . | trans | -140.2 | 99.2 | -175.7 | -156.9 | 0 | 0 | 0 | 0 | 114.2 | C282 V284 T285 S289 H300 H304 | C282-C287 HydrophobicContact CB-CB 4.47Å; V284-C287 HydrophobicContact CB-CB 4.31Å; V284-C287 PolarHBondContact O-N 2.87Å; T285-C287 PolarHBondContact O-N 3.14Å; C287-S289 PolarHBondContact O-N 2.87Å; C287-S289 PolarHBondContact SG-OG 2.88Å; C287-S289 VanDerWaalsContact SG-OG 3.41Å; C287-H300 VanDerWaalsContact SG-CE1 3.51Å; C287-H304 VanDerWaalsContact CB-CE1 3.5Å; C287-H304 WeakPolarHBondContact CB-CE1 3.24Å; C287-H304 VanDerWaalsContact SG-CE1 3.56Å | ||
| 288 | T | 76.4 | Confident | 77.2 | Confident | 151 Ų | 151 | 84.7 Ų | 84.7 | 93% | 0.926 | 44% | 0.441 | S | S | * | . | trans | -70.3 | 10.1 | 177 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | A290 | T288-A290 PolarHBondContact O-N 3.32Š| ||
| 289 | S | 75.9 | Confident | 77.5 | Confident | 34 Ų | 34 | 81.1 Ų | 81.1 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | trans | -70.3 | 125.3 | -173.2 | -71.5 | 0 | 0 | 0 | 0 | 113.1 | C282 C287 H300 | C282-S289 WeakPolarHBondContact CB-O 3.43Å; C282-S289 PolarHBondContact N-O 3.32Å; C287-S289 PolarHBondContact O-N 2.87Å; C287-S289 PolarHBondContact SG-OG 2.88Å; C287-S289 VanDerWaalsContact SG-OG 3.41Å; S289-H300 WeakPolarHBondContact CB-CE1 3.46Å; S289-H300 PolarHBondContact OG-CE1 3.2Å | ||
| 290 | A | 79 | Confident | 77.7 | Confident | 23 Ų | 23 | 77.4 Ų | 77.4 | 19% | 0.19 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R278 K281 T288 | R278-A290 HydrophobicContact CB-CB 3.95Å; R278-A290 VanDerWaalsContact CZ-O 3.29Å; R278-A290 PolarHBondContact NE-O 2.96Å; R278-A290 PolarHBondContact NH2-O 3.37Å; K281-A290 HydrophobicContact CG-CB 4.15Å; T288-A290 PolarHBondContact O-N 3.32Å |
| 291 | F | 80.6 | Confident | 77.6 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 152 | -173.8 | -57.8 | -75.1 | 0 | 0 | 0 | 112.9 | R278 F280 R296 L297 H300 | R278-F291 CarbonylContact C-O 3.52Å; R278-F291 WeakPolarHBondContact CA-O 3.32Å; F280-F291 HydrophobicContact CB-CB 4.33Å; F280-F291 WeakPolarHBondContact CB-O 3.2Å; F280-F291 PolarHBondContact N-O 3.41Å; F280-F291 PolarHBondContact O-N 3.14Å; F291-R296 HydrophobicContact CB-CB 4.48Å; F291-R296 HydrophobicContact CD1-CB 4.28Å; F291-R296 HydrophobicContact CD1-CG 3.55Å; F291-R296 HydrophobicContact CE1-CG 4.01Å; F291-R296 HydrophobicContact CG-CB 4.49Å; F291-R296 HydrophobicContact CG-CG 4.2Å; F291-L297 HydrophobicContact CD2-CB 4.09Å; F291-L297 HydrophobicContact CD2-CD1 4.03Å; F291-L297 HydrophobicContact CE2-CD1 4.31Å; F291-H300 HydrophobicContact CE2-CB 3.77Å; F291-H300 AromaticContact CE2-CD2 3.65Å; F291-H300 AromaticContact CE2-CE1 3.97Å; F291-H300 AromaticContact CE2-CG 3.48Å; F291-H300 VanDerWaalsContact CE2-CG 3.48Å; F291-H300 AromaticContact CE2-ND1 3.73Å; F291-H300 AromaticContact CE2-NE2 3.95Å; F291-H300 HydrophobicContact CZ-CB 3.79Å; F291-H300 AromaticContact CZ-CE1 3.83Å; F291-H300 AromaticContact CZ-CG 3.53Å; F291-H300 AromaticContact CZ-ND1 3.37Å; F291-H300 WeakPolarHBondContact CZ-ND1 3.46Å |
| 292 | A | 80.2 | Confident | 77.4 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -79.3 | -16.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K271 F280 | K271-A292 WeakPolarHBondContact O-CB 3.28Å; F280-A292 WeakPolarHBondContact CD2-O 3.11Å; F280-A292 WeakPolarHBondContact CE2-O 3.45Å |
| 293 | T | 79.4 | Confident | 76.8 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -140.6 | 145.7 | 179.5 | 44.1 | 0 | 0 | 0 | 0 | 114.4 | H272 F280 D295 R296 L297 | H272-T293 WeakPolarHBondContact NE2-CG2 3.36Å; H272-T293 PolarHBondContact NE2-OG1 3.46Å; F280-T293 VanDerWaalsContact CD2-C 3.49Å; F280-T293 VanDerWaalsContact CD2-CA 3.47Å; T293-D295 PolarHBondContact O-N 3.19Å; T293-R296 PolarHBondContact O-N 3.35Å; T293-L297 PolarHBondContact O-N 2.95Å; T293-L297 VanDerWaalsContact O-N 3.13Å |
| 294 | K | 81.1 | Confident | 76.5 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.9 | -30.4 | 178.7 | -170.9 | 169.3 | -176.5 | 172.8 | 0 | 113.3 | F280 L297 R298 | F280-K294 HydrophobicContact CD1-CB 4.01Å; F280-K294 HydrophobicContact CE1-CB 3.83Å; F280-K294 HydrophobicContact CE1-CG 4.48Å; F280-K294 HydrophobicContact CZ-CB 4.18Å; K294-L297 PolarHBondContact O-N 2.92Å; K294-R298 PolarHBondContact O-N 3.17Å |
| 295 | D | 81.5 | Confident | 76.1 | Confident | 92 Ų | 92 | 76.6 Ų | 76.6 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 176.2 | -66.6 | -87.8 | 0 | 0 | 0 | 112.1 | T293 L297 R298 S299 | T293-D295 PolarHBondContact O-N 3.19Å; D295-L297 VanDerWaalsContact C-N 3.35Å; D295-R298 WeakPolarHBondContact O-CB 3.43Å; D295-R298 PolarHBondContact O-N 3.03Å; D295-R298 IonicContact OD1-CZ 2.78Å; D295-R298 IonicContact OD1-NH1 3.36Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 3.92Å; D295-R298 PolarHBondContact OD1-NH2 2.8Å; D295-R298 IonicContact OD2-NH2 3.48Å; D295-R298 PolarHBondContact OD2-NH2 3.03Å; D295-S299 PolarHBondContact O-N 3.01Å; D295-S299 PolarHBondContact O-OG 3.21Å |
| 296 | R | 78.7 | Confident | 75.9 | Confident | 159 Ų | 159 | 70.4 Ų | 70.4 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.4 | -34.3 | 176 | -171.9 | 58.1 | 171.8 | -178.7 | -1.2 | 111.9 | F291 T293 S299 H300 | F291-R296 HydrophobicContact CB-CB 4.48Å; F291-R296 HydrophobicContact CD1-CB 4.28Å; F291-R296 HydrophobicContact CD1-CG 3.55Å; F291-R296 HydrophobicContact CE1-CG 4.01Å; F291-R296 HydrophobicContact CG-CB 4.49Å; F291-R296 HydrophobicContact CG-CG 4.2Å; T293-R296 PolarHBondContact O-N 3.35Å; R296-S299 PolarHBondContact O-N 2.91Å; R296-H300 WeakPolarHBondContact O-CB 3.3Å; R296-H300 PolarHBondContact O-N 3.08Å |
| 297 | L | 82.6 | Confident | 75.7 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 15% | 0.152 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 169 | 175.6 | 60 | 0 | 0 | 0 | 111.2 | F280 K281 C282 F291 T293 K294 D295 S299 H300 M301 | F280-L297 HydrophobicContact CB-CB 4.14Å; F280-L297 HydrophobicContact CB-CD2 3.91Å; K281-L297 WeakPolarHBondContact O-CD2 3.37Å; C282-L297 HydrophobicContact CB-CD1 4.35Å; F291-L297 HydrophobicContact CD2-CB 4.09Å; F291-L297 HydrophobicContact CD2-CD1 4.03Å; F291-L297 HydrophobicContact CE2-CD1 4.31Å; T293-L297 PolarHBondContact O-N 2.95Å; T293-L297 VanDerWaalsContact O-N 3.13Å; K294-L297 PolarHBondContact O-N 2.92Å; D295-L297 VanDerWaalsContact C-N 3.35Å; L297-S299 PolarHBondContact O-N 2.81Å; L297-H300 CarbonylContact O-C 3.2Å; L297-H300 WeakPolarHBondContact O-CA 3.48Å; L297-H300 WeakPolarHBondContact O-CB 3.36Å; L297-H300 PolarHBondContact O-N 2.73Å; L297-M301 HydrophobicContact CD1-CG 4.07Å; L297-M301 HydrophobicContact CD1-SD 4.13Å; L297-M301 HydrophobicContact CG-CG 4.34Å; L297-M301 WeakPolarHBondContact O-CG 3.49Å; L297-M301 PolarHBondContact O-N 2.75Å |
| 298 | R | 82.4 | Confident | 75.5 | Confident | 125 Ų | 125 | 75.4 Ų | 75.4 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.6 | -49.4 | 174.9 | -93.2 | -174 | -84.9 | 103.2 | -0.4 | 112.2 | K294 D295 H300 M301 I302 | K294-R298 PolarHBondContact O-N 3.17Å; D295-R298 WeakPolarHBondContact O-CB 3.43Å; D295-R298 PolarHBondContact O-N 3.03Å; D295-R298 IonicContact OD1-CZ 2.78Å; D295-R298 IonicContact OD1-NH1 3.36Å; D295-R298 PolarHBondContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 3.92Å; D295-R298 PolarHBondContact OD1-NH2 2.8Å; D295-R298 IonicContact OD2-NH2 3.48Å; D295-R298 PolarHBondContact OD2-NH2 3.03Å; R298-H300 PolarHBondContact O-N 2.78Å; R298-M301 PolarHBondContact O-N 3.1Å; R298-M301 VanDerWaalsContact O-N 3.14Å; R298-I302 PolarHBondContact O-N 3.17Å |
| 299 | S | 79.4 | Confident | 74.9 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 44% | 0.441 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -23.5 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | D295 R296 L297 | D295-S299 PolarHBondContact O-N 3.01Å; D295-S299 PolarHBondContact O-OG 3.21Å; R296-S299 PolarHBondContact O-N 2.91Å; L297-S299 PolarHBondContact O-N 2.81Å |
| 300 | H | 80.6 | Confident | 74.9 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -85.7 | -30.5 | 175 | 170.5 | 97.9 | 0 | 0 | 0 | 112.9 | C282 C287 S289 F291 R296 L297 R298 I302 R303 H304 | C282-H300 PolarHBondContact SG-NE2 2.78Å; C282-H300 VanDerWaalsContact SG-NE2 3.41Å; C287-H300 VanDerWaalsContact SG-CE1 3.51Å; S289-H300 WeakPolarHBondContact CB-CE1 3.46Å; S289-H300 PolarHBondContact OG-CE1 3.2Å; F291-H300 HydrophobicContact CE2-CB 3.77Å; F291-H300 AromaticContact CE2-CD2 3.65Å; F291-H300 AromaticContact CE2-CE1 3.97Å; F291-H300 AromaticContact CE2-CG 3.48Å; F291-H300 VanDerWaalsContact CE2-CG 3.48Å; F291-H300 AromaticContact CE2-ND1 3.73Å; F291-H300 AromaticContact CE2-NE2 3.95Å; F291-H300 HydrophobicContact CZ-CB 3.79Å; F291-H300 AromaticContact CZ-CE1 3.83Å; F291-H300 AromaticContact CZ-CG 3.53Å; F291-H300 AromaticContact CZ-ND1 3.37Å; F291-H300 WeakPolarHBondContact CZ-ND1 3.46Å; R296-H300 WeakPolarHBondContact O-CB 3.3Å; R296-H300 PolarHBondContact O-N 3.08Å; L297-H300 CarbonylContact O-C 3.2Å; L297-H300 WeakPolarHBondContact O-CA 3.48Å; L297-H300 WeakPolarHBondContact O-CB 3.36Å; L297-H300 PolarHBondContact O-N 2.73Å; R298-H300 PolarHBondContact O-N 2.78Å; H300-I302 VanDerWaalsContact C-N 3.33Å; H300-R303 PolarHBondContact CE1-NH2 3.34Å; H300-R303 VanDerWaalsContact CE1-NH2 3.28Å; H300-R303 PolarHBondContact ND1-NH2 2.77Å; H300-R303 WeakPolarHBondContact O-CB 3.5Å; H300-R303 PolarHBondContact O-N 3.48Å; H300-R303 VanDerWaalsContact O-N 3.08Å; H300-H304 AromaticContact CD2-CD2 3.99Å; H300-H304 AromaticContact CD2-NE2 3.56Å; H300-H304 AromaticContact CE1-NE2 3.72Å; H300-H304 AromaticContact NE2-CD2 3.9Å; H300-H304 AromaticContact NE2-CE1 3.96Å; H300-H304 AromaticContact NE2-NE2 3.02Å; H300-H304 PolarHBondContact NE2-NE2 3.4Å |
| 301 | M | 75 | Confident | 74.6 | Confident | 41 Ų | 41 | 75.5 Ų | 75.5 | 20% | 0.202 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 175 | -69.9 | -55.4 | -57.5 | 0 | 0 | 111.9 | C282 V284 L297 R298 R303 H304 E305 | C282-M301 VanDerWaalsContact SG-SD 3.69Å; V284-M301 HydrophobicContact CG2-CE 3.97Å; L297-M301 HydrophobicContact CD1-CG 4.07Å; L297-M301 HydrophobicContact CD1-SD 4.13Å; L297-M301 HydrophobicContact CG-CG 4.34Å; L297-M301 WeakPolarHBondContact O-CG 3.49Å; L297-M301 PolarHBondContact O-N 2.75Å; R298-M301 PolarHBondContact O-N 3.1Å; R298-M301 VanDerWaalsContact O-N 3.14Å; M301-R303 PolarHBondContact O-N 2.78Å; M301-H304 PolarHBondContact O-N 3.18Å; M301-E305 PolarHBondContact O-N 3.17Å |
| 302 | I | 75.9 | Confident | 74.2 | Confident | 86 Ų | 86 | 79.5 Ų | 79.5 | 44% | 0.441 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -53.1 | -28.1 | 170.5 | -63.3 | 170.7 | 0 | 0 | 0 | 111.9 | R298 H300 G306 A319 | R298-I302 PolarHBondContact O-N 3.17Å; H300-I302 VanDerWaalsContact C-N 3.33Å; I302-G306 PolarHBondContact O-N 3.32Å; I302-A319 HydrophobicContact CG2-CB 4.36Å |
| 303 | R | 69.4 | Low | 73.9 | Confident | 123 Ų | 123 | 80.6 Ų | 80.6 | 46% | 0.464 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.6 | -26.2 | 176.9 | 166.4 | 168.2 | 83.6 | 166.2 | 13.7 | 113.9 | H300 M301 S318 | H300-R303 PolarHBondContact CE1-NH2 3.34Å; H300-R303 VanDerWaalsContact CE1-NH2 3.28Å; H300-R303 PolarHBondContact ND1-NH2 2.77Å; H300-R303 WeakPolarHBondContact O-CB 3.5Å; H300-R303 PolarHBondContact O-N 3.48Å; H300-R303 VanDerWaalsContact O-N 3.08Å; M301-R303 PolarHBondContact O-N 2.78Å; R303-S318 VanDerWaalsContact CA-OG 3.23Å; R303-S318 WeakPolarHBondContact CA-OG 3.43Å; R303-S318 VanDerWaalsContact CB-OG 3.3Å; R303-S318 WeakPolarHBondContact CB-OG 3.39Å; R303-S318 VanDerWaalsContact CG-OG 3.29Å; R303-S318 WeakPolarHBondContact CG-OG 3.45Å |
| 304 | H | 68.2 | Low | 73.3 | Confident | 57 Ų | 57 | 81.6 Ų | 81.6 | 26% | 0.264 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -87.5 | -37.5 | 175.9 | -59.6 | -58.1 | 0 | 0 | 0 | 111.8 | C282 V284 C287 H300 M301 | C282-H304 PolarHBondContact SG-NE2 3.2Å; V284-H304 HydrophobicContact CG2-CB 4.04Å; C287-H304 VanDerWaalsContact CB-CE1 3.5Å; C287-H304 WeakPolarHBondContact CB-CE1 3.24Å; C287-H304 VanDerWaalsContact SG-CE1 3.56Å; H300-H304 AromaticContact CD2-CD2 3.99Å; H300-H304 AromaticContact CD2-NE2 3.56Å; H300-H304 AromaticContact CE1-NE2 3.72Å; H300-H304 AromaticContact NE2-CD2 3.9Å; H300-H304 AromaticContact NE2-CE1 3.96Å; H300-H304 AromaticContact NE2-NE2 3.02Å; H300-H304 PolarHBondContact NE2-NE2 3.4Å; M301-H304 PolarHBondContact O-N 3.18Å |
| 305 | E | 66.4 | Low | 72.7 | Confident | 139 Ų | 139 | 82.1 Ų | 82.1 | 65% | 0.65 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -73.3 | -46.6 | -179.2 | -67.5 | 154.6 | -166.8 | 0 | 0 | 111.9 | M301 K307 | M301-E305 PolarHBondContact O-N 3.17Å; E305-K307 PolarHBondContact O-N 2.74Å |
| 306 | G | 60.4 | Low | 71.7 | Confident | 18 Ų | 18 | 84.5 Ų | 84.5 | 19% | 0.186 | 43% | 0.434 | C | S | . | . | trans | -91.3 | 89.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I302 S318 A319 | I302-G306 PolarHBondContact O-N 3.32Å; G306-S318 CarbonylContact O-C 3.58Å; G306-S318 WeakPolarHBondContact O-CA 3.05Å; G306-A319 PolarHBondContact O-N 3.3Å | ||
| 307 | K | 65.4 | Low | 71.2 | Confident | 166 Ų | 166 | 78.3 Ų | 78.3 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.4 | 157.6 | -68 | -177.7 | -176.2 | 177 | 0 | 108.8 | E305 L317 | E305-K307 PolarHBondContact O-N 2.74Å; K307-L317 CarbonylContact C-O 3.55Å; K307-L317 WeakPolarHBondContact CA-O 3.38Å |
| 308 | V | 66.3 | Low | 70.5 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 35% | 0.345 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.6 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | L317 A319 I322 | V308-L317 PolarHBondContact N-O 2.72Å; V308-L317 PolarHBondContact O-N 2.73Å; V308-A319 HydrophobicContact CG2-CB 3.81Å; V308-I322 HydrophobicContact CB-CG1 4.48Å; V308-I322 HydrophobicContact CG1-CG1 4.04Å |
| 309 | T | 64.8 | Low | 69.8 | Low | 87 Ų | 87 | 73.4 Ų | 73.4 | 53% | 0.534 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 142.3 | 177.1 | 39.8 | 0 | 0 | 0 | 0 | 112 | S311 M316 | T309-S311 PolarHBondContact O-N 3.12Å; T309-M316 HydrophobicContact CG2-CG 3.79Å |
| 310 | C | 75.1 | Confident | 69.2 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | trans | -71.4 | 108.3 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | I312 C313 G314 K315 L317 I322 H325 H329 | C310-I312 PolarHBondContact O-N 3.4Å; C310-C313 HydrophobicContact CB-CB 4.24Å; C310-C313 WeakPolarHBondContact CB-SG 3.49Å; C310-C313 PolarHBondContact O-N 3.27Å; C310-C313 VanDerWaalsContact O-N 3.1Å; C310-C313 VanDerWaalsContact SG-CA 3.58Å; C310-C313 WeakPolarHBondContact SG-CB 3.29Å; C310-C313 PolarHBondContact SG-N 3.43Å; C310-C313 CovalentContact SG-SG 2.05Å; C310-C313 PolarHBondContact SG-SG 3.44Å; C310-G314 WeakPolarHBondContact O-CA 3.49Å; C310-G314 PolarHBondContact O-N 2.96Å; C310-K315 HydrophobicContact CB-CB 4.33Å; C310-K315 WeakPolarHBondContact CB-O 3.23Å; C310-K315 PolarHBondContact N-O 3.3Å; C310-L317 HydrophobicContact CB-CD1 3.97Å; C310-I322 HydrophobicContact CB-CD1 4.49Å; C310-H325 PolarHBondContact SG-NE2 2.73Å; C310-H325 VanDerWaalsContact SG-NE2 3.4Å; C310-H329 PolarHBondContact SG-NE2 2.73Å | ||
| 311 | S | 72.9 | Confident | 68.7 | Low | 120 Ų | 120 | 79 Ų | 79 | 84% | 0.839 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.9 | 178.2 | -46 | 0 | 0 | 0 | 0 | 114.4 | T309 | T309-S311 PolarHBondContact O-N 3.12Š|
| 312 | I | 72.6 | Confident | 68.6 | Low | 110 Ų | 110 | 78 Ų | 78 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -19 | -177.5 | -57.4 | 172.2 | 0 | 0 | 0 | 111.6 | C310 L326 H329 | C310-I312 PolarHBondContact O-N 3.4Å; I312-L326 HydrophobicContact CD1-CD2 4.19Å; I312-H329 HydrophobicContact CD1-CB 3.56Å; I312-H329 HydrophobicContact CG2-CB 4.26Å |
| 313 | C | 74.4 | Confident | 68.5 | Low | 46 Ų | 46 | 79 Ų | 79 | 31% | 0.311 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.6 | 9.2 | -162.7 | 75.5 | 0 | 0 | 0 | 0 | 116.2 | C310 K315 H325 H329 | C310-C313 HydrophobicContact CB-CB 4.24Å; C310-C313 WeakPolarHBondContact CB-SG 3.49Å; C310-C313 PolarHBondContact O-N 3.27Å; C310-C313 VanDerWaalsContact O-N 3.1Å; C310-C313 VanDerWaalsContact SG-CA 3.58Å; C310-C313 WeakPolarHBondContact SG-CB 3.29Å; C310-C313 PolarHBondContact SG-N 3.43Å; C310-C313 CovalentContact SG-SG 2.05Å; C310-C313 PolarHBondContact SG-SG 3.44Å; C313-K315 PolarHBondContact O-N 3.42Å; C313-H325 PolarHBondContact SG-NE2 3.49Å; C313-H329 PolarHBondContact SG-NE2 2.99Å; C313-H329 VanDerWaalsContact SG-NE2 3.39Å |
| 314 | G | 66.6 | Low | 68.8 | Low | 55 Ų | 55 | 75.9 Ų | 75.9 | 57% | 0.567 | 43% | 0.43 | S | S | * | . | trans | 69.9 | -28.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | C310 M316 | C310-G314 WeakPolarHBondContact O-CA 3.49Å; C310-G314 PolarHBondContact O-N 2.96Å; G314-M316 PolarHBondContact O-N 3.49Å | ||
| 315 | K | 67.9 | Low | 69.2 | Low | 139 Ų | 139 | 74.3 Ų | 74.3 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | trans | -53.3 | 124.6 | -171.8 | -65 | -178.6 | -176.9 | -179 | 0 | 112.3 | C310 C313 L317 | C310-K315 HydrophobicContact CB-CB 4.33Å; C310-K315 WeakPolarHBondContact CB-O 3.23Å; C310-K315 PolarHBondContact N-O 3.3Å; C313-K315 PolarHBondContact O-N 3.42Å; K315-L317 HydrophobicContact CB-CD1 4.29Å; K315-L317 HydrophobicContact CB-CG 4.25Å; K315-L317 WeakPolarHBondContact O-CG 3.34Å; K315-L317 PolarHBondContact O-N 2.94Å | ||
| 316 | M | 59.6 | Low | 69.6 | Low | 141 Ų | 141 | 71.3 Ų | 71.3 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.3 | 170 | -75.5 | -172.5 | -76.6 | 0 | 0 | 109.9 | T309 G314 | T309-M316 HydrophobicContact CG2-CG 3.79Å; G314-M316 PolarHBondContact O-N 3.49Å |
| 317 | L | 69.1 | Low | 70.4 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.152 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 163.7 | -171.8 | -62.8 | 156.4 | 0 | 0 | 0 | 109.7 | K307 V308 C310 K315 Y321 I322 H325 | K307-L317 CarbonylContact C-O 3.55Å; K307-L317 WeakPolarHBondContact CA-O 3.38Å; V308-L317 PolarHBondContact N-O 2.72Å; V308-L317 PolarHBondContact O-N 2.73Å; C310-L317 HydrophobicContact CB-CD1 3.97Å; K315-L317 HydrophobicContact CB-CD1 4.29Å; K315-L317 HydrophobicContact CB-CG 4.25Å; K315-L317 WeakPolarHBondContact O-CG 3.34Å; K315-L317 PolarHBondContact O-N 2.94Å; L317-Y321 HydrophobicContact CD2-CD1 3.88Å; L317-Y321 HydrophobicContact CD2-CE1 4Å; L317-I322 HydrophobicContact CB-CD1 4.4Å; L317-I322 HydrophobicContact CD1-CD1 3.77Å; L317-H325 HydrophobicContact CD1-CB 4.02Å; L317-H325 WeakPolarHBondContact CD1-CD2 3.5Å |
| 318 | S | 68.9 | Low | 70.8 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 13% | 0.126 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 141.5 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | R303 G306 A320 Y321 I322 | R303-S318 VanDerWaalsContact CA-OG 3.23Å; R303-S318 WeakPolarHBondContact CA-OG 3.43Å; R303-S318 VanDerWaalsContact CB-OG 3.3Å; R303-S318 WeakPolarHBondContact CB-OG 3.39Å; R303-S318 VanDerWaalsContact CG-OG 3.29Å; R303-S318 WeakPolarHBondContact CG-OG 3.45Å; G306-S318 CarbonylContact O-C 3.58Å; G306-S318 WeakPolarHBondContact O-CA 3.05Å; S318-A320 PolarHBondContact O-N 2.77Å; S318-A320 VanDerWaalsContact O-N 3.1Å; S318-A320 PolarHBondContact OG-N 3.35Å; S318-A320 VanDerWaalsContact OG-N 3.15Å; S318-Y321 CarbonylContact O-C 3.48Å; S318-Y321 WeakPolarHBondContact O-CA 3.29Å; S318-Y321 PolarHBondContact O-N 3.17Å; S318-I322 PolarHBondContact O-N 3.4Å |
| 319 | A | 65.8 | Low | 71.2 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I302 G306 V308 | I302-A319 HydrophobicContact CG2-CB 4.36Å; G306-A319 PolarHBondContact O-N 3.3Å; V308-A319 HydrophobicContact CG2-CB 3.81Å |
| 320 | A | 66.7 | Low | 71.1 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | S318 | S318-A320 PolarHBondContact O-N 2.77Å; S318-A320 VanDerWaalsContact O-N 3.1Å; S318-A320 PolarHBondContact OG-N 3.35Å; S318-A320 VanDerWaalsContact OG-N 3.15Å |
| 321 | Y | 71.9 | Confident | 70.2 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -20.1 | -176.8 | -173.2 | -110.5 | 0 | 0 | 0 | 113.1 | L317 S318 T323 S324 H325 | L317-Y321 HydrophobicContact CD2-CD1 3.88Å; L317-Y321 HydrophobicContact CD2-CE1 4Å; S318-Y321 CarbonylContact O-C 3.48Å; S318-Y321 WeakPolarHBondContact O-CA 3.29Å; S318-Y321 PolarHBondContact O-N 3.17Å; Y321-T323 VanDerWaalsContact C-N 3.27Å; Y321-T323 PolarHBondContact O-N 2.72Å; Y321-S324 WeakPolarHBondContact CA-OG 3.21Å; Y321-S324 VanDerWaalsContact CD2-OG 3.29Å; Y321-S324 WeakPolarHBondContact CD2-OG 3.19Å; Y321-S324 PolarHBondContact O-N 2.95Å; Y321-S324 PolarHBondContact O-OG 3.3Å; Y321-H325 HydrophobicContact CD1-CB 4.4Å; Y321-H325 HydrophobicContact CE1-CB 4.27Å; Y321-H325 WeakPolarHBondContact O-CB 3.13Å; Y321-H325 PolarHBondContact O-N 2.96Å |
| 322 | I | 71.3 | Confident | 69.1 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 10% | 0.097 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.7 | -37.7 | 178.8 | -170.5 | 63.2 | 0 | 0 | 0 | 111.8 | V308 C310 L317 S318 H325 L326 | V308-I322 HydrophobicContact CB-CG1 4.48Å; V308-I322 HydrophobicContact CG1-CG1 4.04Å; C310-I322 HydrophobicContact CB-CD1 4.49Å; L317-I322 HydrophobicContact CB-CD1 4.4Å; L317-I322 HydrophobicContact CD1-CD1 3.77Å; S318-I322 PolarHBondContact O-N 3.4Å; I322-H325 PolarHBondContact O-N 3.2Å; I322-L326 HydrophobicContact CD1-CG 4.41Å; I322-L326 HydrophobicContact CG1-CD1 4.04Å; I322-L326 HydrophobicContact CG1-CG 4.3Å; I322-L326 WeakPolarHBondContact O-CB 3.23Å; I322-L326 VanDerWaalsContact O-CG 3.28Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 3.29Å |
| 323 | T | 74.1 | Confident | 67.7 | Low | 108 Ų | 108 | 77.8 Ų | 77.8 | 66% | 0.663 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 176.9 | -45.2 | 0 | 0 | 0 | 0 | 112.6 | Y321 H325 K327 | Y321-T323 VanDerWaalsContact C-N 3.27Å; Y321-T323 PolarHBondContact O-N 2.72Å; T323-H325 VanDerWaalsContact C-N 3.3Å; T323-H325 PolarHBondContact O-N 2.91Å; T323-K327 PolarHBondContact O-N 3.16Å |
| 324 | S | 76.6 | Confident | 65.8 | Low | 58 Ų | 58 | 84.1 Ų | 84.1 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -31.9 | 173.5 | 35.1 | 0 | 0 | 0 | 0 | 112.3 | Y321 K327 T328 | Y321-S324 WeakPolarHBondContact CA-OG 3.21Å; Y321-S324 VanDerWaalsContact CD2-OG 3.29Å; Y321-S324 WeakPolarHBondContact CD2-OG 3.19Å; Y321-S324 PolarHBondContact O-N 2.95Å; Y321-S324 PolarHBondContact O-OG 3.3Å; S324-K327 WeakPolarHBondContact O-CB 3.44Å; S324-K327 PolarHBondContact O-N 2.9Å; S324-T328 PolarHBondContact O-N 3.16Å |
| 325 | H | 76.5 | Confident | 64.6 | Low | 23 Ų | 23 | 89.3 Ų | 89.3 | 11% | 0.106 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -78.1 | -37 | 178.6 | -176.1 | 63.2 | 0 | 0 | 0 | 113.5 | C310 C313 L317 Y321 I322 T323 K327 T328 H329 | C310-H325 PolarHBondContact SG-NE2 2.73Å; C310-H325 VanDerWaalsContact SG-NE2 3.4Å; C313-H325 PolarHBondContact SG-NE2 3.49Å; L317-H325 HydrophobicContact CD1-CB 4.02Å; L317-H325 WeakPolarHBondContact CD1-CD2 3.5Å; Y321-H325 HydrophobicContact CD1-CB 4.4Å; Y321-H325 HydrophobicContact CE1-CB 4.27Å; Y321-H325 WeakPolarHBondContact O-CB 3.13Å; Y321-H325 PolarHBondContact O-N 2.96Å; I322-H325 PolarHBondContact O-N 3.2Å; T323-H325 VanDerWaalsContact C-N 3.3Å; T323-H325 PolarHBondContact O-N 2.91Å; H325-K327 PolarHBondContact O-N 3.12Å; H325-T328 PolarHBondContact ND1-OG1 3.22Å; H325-T328 PolarHBondContact O-N 3.43Å; H325-T328 PolarHBondContact O-OG1 3.25Å; H325-H329 AromaticContact CD2-CD2 4Å; H325-H329 AromaticContact CD2-NE2 3.55Å; H325-H329 AromaticContact CE1-NE2 3.46Å; H325-H329 PolarHBondContact CE1-NE2 2.7Å; H325-H329 AromaticContact NE2-CD2 3.81Å; H325-H329 AromaticContact NE2-CE1 3.88Å; H325-H329 AromaticContact NE2-NE2 2.93Å; H325-H329 PolarHBondContact NE2-NE2 3.38Å; H325-H329 PolarHBondContact O-CD2 3.29Å; H325-H329 VanDerWaalsContact O-CD2 3.25Å; H325-H329 PolarHBondContact O-N 3.42Å |
| 326 | L | 74.1 | Confident | 62.9 | Low | 76 Ų | 76 | 88.3 Ų | 88.3 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.5 | -34.8 | 169 | -74.3 | 165.4 | 0 | 0 | 0 | 110.7 | I312 I322 T328 H329 G330 | I312-L326 HydrophobicContact CD1-CD2 4.19Å; I322-L326 HydrophobicContact CD1-CG 4.41Å; I322-L326 HydrophobicContact CG1-CD1 4.04Å; I322-L326 HydrophobicContact CG1-CG 4.3Å; I322-L326 WeakPolarHBondContact O-CB 3.23Å; I322-L326 VanDerWaalsContact O-CG 3.28Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 3.29Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 3.21Å; L326-H329 PolarHBondContact O-N 2.79Å; L326-G330 PolarHBondContact O-N 2.83Å |
| 327 | K | 78 | Confident | 61.6 | Low | 139 Ų | 139 | 87.7 Ų | 87.7 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.3 | -27.9 | 172.9 | -163.4 | 174.4 | -178.7 | -178.4 | 0 | 113.7 | T323 S324 H325 G330 Q331 | T323-K327 PolarHBondContact O-N 3.16Å; S324-K327 WeakPolarHBondContact O-CB 3.44Å; S324-K327 PolarHBondContact O-N 2.9Å; H325-K327 PolarHBondContact O-N 3.12Å; K327-G330 CarbonylContact O-C 3.5Å; K327-G330 PolarHBondContact O-N 3.42Å; K327-Q331 WeakPolarHBondContact O-CG 3.33Å; K327-Q331 PolarHBondContact O-N 2.82Å |
| 328 | T | 73.7 | Confident | 59.8 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.9 | -34.6 | 173.4 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | S324 H325 L326 Q331 | S324-T328 PolarHBondContact O-N 3.16Å; H325-T328 PolarHBondContact ND1-OG1 3.22Å; H325-T328 PolarHBondContact O-N 3.43Å; H325-T328 PolarHBondContact O-OG1 3.25Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 3.21Å; T328-Q331 PolarHBondContact O-N 3.25Å |
| 329 | H | 73.8 | Confident | 58 | Low | 43 Ų | 43 | 101.2 Ų | 101.2 | 20% | 0.199 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -68.1 | -39.4 | 170.8 | -62.3 | -66.1 | 0 | 0 | 0 | 111.6 | C310 I312 C313 H325 L326 Q331 T332 | C310-H329 PolarHBondContact SG-NE2 2.73Å; I312-H329 HydrophobicContact CD1-CB 3.56Å; I312-H329 HydrophobicContact CG2-CB 4.26Å; C313-H329 PolarHBondContact SG-NE2 2.99Å; C313-H329 VanDerWaalsContact SG-NE2 3.39Å; H325-H329 AromaticContact CD2-CD2 4Å; H325-H329 AromaticContact CD2-NE2 3.55Å; H325-H329 AromaticContact CE1-NE2 3.46Å; H325-H329 PolarHBondContact CE1-NE2 2.7Å; H325-H329 AromaticContact NE2-CD2 3.81Å; H325-H329 AromaticContact NE2-CE1 3.88Å; H325-H329 AromaticContact NE2-NE2 2.93Å; H325-H329 PolarHBondContact NE2-NE2 3.38Å; H325-H329 PolarHBondContact O-CD2 3.29Å; H325-H329 VanDerWaalsContact O-CD2 3.25Å; H325-H329 PolarHBondContact O-N 3.42Å; L326-H329 PolarHBondContact O-N 2.79Å; H329-Q331 PolarHBondContact O-N 2.87Å; H329-T332 PolarHBondContact O-N 2.79Å; H329-T332 PolarHBondContact O-OG1 3.26Å; H329-T332 VanDerWaalsContact O-OG1 3.13Å |
| 330 | G | 63.3 | Low | 56.2 | Low | 68 Ų | 68 | 103.2 Ų | 103.2 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 3.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L326 K327 | L326-G330 PolarHBondContact O-N 2.83Å; K327-G330 CarbonylContact O-C 3.5Å; K327-G330 PolarHBondContact O-N 3.42Å |
| 331 | Q | 56.6 | Low | 54.6 | Low | 112 Ų | 112 | 108 Ų | 108 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.8 | 1.6 | 176.8 | -72.1 | -170.3 | -60.3 | 0 | 0 | 114.1 | K327 T328 H329 N333 F334 | K327-Q331 WeakPolarHBondContact O-CG 3.33Å; K327-Q331 PolarHBondContact O-N 2.82Å; T328-Q331 PolarHBondContact O-N 3.25Å; H329-Q331 PolarHBondContact O-N 2.87Å; Q331-N333 PolarHBondContact O-N 3.41Å; Q331-N333 VanDerWaalsContact O-N 3.09Å; Q331-F334 PolarHBondContact O-N 3.27Å; Q331-F334 VanDerWaalsContact O-N 3.14Å |
| 332 | T | 49.5 | Very low | 52.7 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 64% | 0.638 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -1.5 | 178 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | H329 F334 | H329-T332 PolarHBondContact O-N 2.79Å; H329-T332 PolarHBondContact O-OG1 3.26Å; H329-T332 VanDerWaalsContact O-OG1 3.13Å; T332-F334 VanDerWaalsContact C-N 3.31Å |
| 333 | N | 43.1 | Very low | 50.8 | Low | 161 Ų | 161 | 116.1 Ų | 116.1 | 86% | 0.861 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 2.2 | 168.8 | -92.4 | 21.2 | 0 | 0 | 0 | 114 | Q331 | Q331-N333 PolarHBondContact O-N 3.41Å; Q331-N333 VanDerWaalsContact O-N 3.09Å |
| 334 | F | 35.4 | Very low | 48.5 | Very low | 180 Ų | 180 | 117 Ų | 117 | 79% | 0.789 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -95.9 | 112.2 | 163.4 | -82.9 | -83.2 | 0 | 0 | 0 | 110.1 | Q331 T332 S336 | Q331-F334 PolarHBondContact O-N 3.27Å; Q331-F334 VanDerWaalsContact O-N 3.14Å; T332-F334 VanDerWaalsContact C-N 3.31Å; F334-S336 PolarHBondContact O-N 3.13Å |
| 335 | N | 40.6 | Very low | 46.1 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | trans | -54.5 | 124.1 | -177.8 | -88.7 | -29.6 | 0 | 0 | 0 | 112.7 | ||||
| 336 | S | 32.1 | Very low | 43.7 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -149 | 59.4 | 151.7 | -159 | 0 | 0 | 0 | 0 | 110.7 | F334 | F334-S336 PolarHBondContact O-N 3.13Š| ||
| 337 | C | 33.1 | Very low | 41.4 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | trans | -88.9 | 103.7 | 161.3 | -162.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 338 | N | 29.9 | Very low | 38.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | -150.4 | 116.6 | 175.3 | -154.1 | -18.2 | 0 | 0 | 0 | 112 | ||||
| 339 | K | 31.7 | Very low | 36.5 | Very low | 202 Ų | 202 | 127.3 Ų | 127.3 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | 55.3 | 122.1 | 168.1 | -75.2 | 173 | 179.3 | -177 | 0 | 119.4 | ||||
| 340 | G | 28.4 | Very low | 34.2 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 140.4 | 98.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E342 | G340-E342 PolarHBondContact O-N 2.83Š| ||
| 341 | N | 33.3 | Very low | 32.7 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -37.3 | 129.9 | 174.7 | -59.6 | -9.2 | 0 | 0 | 0 | 114.9 | ||||
| 342 | E | 32.6 | Very low | 31.1 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | -155.2 | 148.6 | 128.7 | -115.4 | 166.2 | -134.6 | 0 | 0 | 109.7 | G340 | G340-E342 PolarHBondContact O-N 2.83Š| |||
| 343 | V | 30.1 | Very low | 30.2 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -111.4 | 128.6 | -166.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 344 | C | 26.5 | Very low | 29.3 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 86% | 0.858 | 82% | 0.815 | S | S | * | * | trans | -135.4 | 88.4 | 164.6 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 345 | N | 25.3 | Very low | 29 | Very low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 131.7 | 169.6 | -82.4 | -24.2 | 0 | 0 | 0 | 111 | ||||
| 346 | S | 26.8 | Very low | 28.2 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 174.6 | 94 | 147.4 | -79.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 347 | A | 25.5 | Very low | 28 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 92 | 128.8 | 65.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 348 | S | 23.7 | Very low | 27.7 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 49.7 | 108 | 161.1 | 59.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 349 | A | 24.5 | Very low | 27.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | -156.3 | 142.5 | 119.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 350 | T | 27 | Very low | 27.2 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | -86.3 | 159.1 | 178 | 36.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 351 | P | 30.8 | Very low | 27 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | trans | -71.9 | 132.6 | 178.3 | 29.8 | -34.7 | 0 | 0 | 0 | 111.3 | ||||
| 352 | V | 24.4 | Very low | 26.7 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | -120.2 | 113.8 | 172.5 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | V354 | V352-V354 HydrophobicContact CG1-CG2 4.09Å; V352-V354 PolarHBondContact O-N 3.21Å | ||
| 353 | T | 29.3 | Very low | 26.4 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -72.6 | 118 | 170.7 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 354 | V | 25.1 | Very low | 26.4 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -131.9 | 104.9 | 164.9 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | V352 | V352-V354 HydrophobicContact CG1-CG2 4.09Å; V352-V354 PolarHBondContact O-N 3.21Å | ||
| 355 | S | 28.4 | Very low | 26.2 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -87.5 | 120.3 | 165.1 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 356 | A | 23.7 | Very low | 26.3 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | trans | -146.3 | 127.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 357 | P | 29 | Very low | 26.8 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -84.2 | 139.7 | 178.4 | 33.1 | -33.2 | 0 | 0 | 0 | 111.7 | T359 | P357-T359 PolarHBondContact O-N 2.84Š| ||
| 358 | I | 26.2 | Very low | 27.2 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -96.6 | 83.9 | 172.4 | -45.6 | 178.9 | 0 | 0 | 0 | 109.2 | S360 | I358-S360 PolarHBondContact O-N 2.83Š| ||
| 359 | T | 25.7 | Very low | 27.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -77.8 | 114.1 | 172.4 | -49.3 | 0 | 0 | 0 | 0 | 109.6 | P357 T361 | P357-T359 PolarHBondContact O-N 2.84Å; T359-T361 HydrophobicContact CG2-CG2 4.41Å | ||
| 360 | S | 24.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -125.5 | 105.3 | 172.6 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | I358 | I358-S360 PolarHBondContact O-N 2.83Š| ||
| 361 | T | 24.6 | Very low | 28.3 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -86.2 | 134.2 | -174.3 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | T359 | T359-T361 HydrophobicContact CG2-CG2 4.41Š| ||
| 362 | M | 26.2 | Very low | 28.3 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 54.7 | 132.3 | 150.8 | -58.8 | -167.2 | -177.2 | 0 | 0 | 119.8 | ||||
| 363 | N | 27 | Very low | 28.6 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -122.4 | 142.2 | 137.2 | -159.5 | -12 | 0 | 0 | 0 | 108.5 | ||||
| 364 | R | 29.4 | Very low | 28.9 | Very low | 235 Ų | 235 | 134.9 Ų | 134.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -114.5 | 98.8 | -161.4 | -166.9 | -178.9 | -166.4 | 174.2 | 4.3 | 109.5 | ||||
| 365 | G | 23.8 | Very low | 29.5 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -136.3 | 60 | -158.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 366 | N | 26.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | 65.3 | 166.3 | 164.6 | -151.3 | 5.7 | 0 | 0 | 0 | 117.6 | ||||
| 367 | A | 36.8 | Very low | 30.5 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | trans | -102.3 | 178 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 368 | N | 34.7 | Very low | 30.7 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | 67 | 86.5 | 171.3 | -61.3 | -10.6 | 0 | 0 | 0 | 117.1 | ||||
| 369 | N | 30.7 | Very low | 31 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | -169.1 | 144 | 126.1 | -100.2 | -48.2 | 0 | 0 | 0 | 112.3 | N371 | N369-N371 PolarHBondContact O-N 3.07Š| |||
| 370 | N | 35.2 | Very low | 31.4 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -77 | 86.5 | -178.7 | -72.1 | -14.5 | 0 | 0 | 0 | 111.7 | ||||
| 371 | N | 31.3 | Very low | 31.8 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -125.3 | 140.8 | 171.1 | -79.5 | -50.4 | 0 | 0 | 0 | 111.1 | N369 V373 | N369-N371 PolarHBondContact O-N 3.07Å; N371-V373 PolarHBondContact O-N 3.19Å | ||
| 372 | P | 31.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 129.3 | 176.1 | 29 | -33.8 | 0 | 0 | 0 | 111.1 | T374 | P372-T374 PolarHBondContact O-N 2.94Š| ||
| 373 | V | 32.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -83.9 | 112.4 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110 | N371 I375 | N371-V373 PolarHBondContact O-N 3.19Å; V373-I375 PolarHBondContact O-N 3.37Å | ||
| 374 | T | 35.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -82.3 | 110.2 | 176.3 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | P372 | P372-T374 PolarHBondContact O-N 2.94Š| ||
| 375 | I | 36.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 56% | 0.564 | 70% | 0.697 | S | S | * | * | trans | -81.4 | 117.6 | 174.7 | -56.6 | 176.2 | 0 | 0 | 0 | 109.6 | V373 A377 L394 | V373-I375 PolarHBondContact O-N 3.37Å; I375-A377 PolarHBondContact O-N 3.45Å; I375-A377 VanDerWaalsContact O-N 3.12Å; I375-L394 HydrophobicContact CD1-CD2 4.1Å | ||
| 376 | A | 32.8 | Very low | 34.9 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | trans | -84.5 | 75.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 377 | A | 40.8 | Very low | 35.8 | Very low | 43 Ų | 43 | 112.6 Ų | 112.6 | 36% | 0.355 | 65% | 0.65 | S | S | . | * | trans | -74.7 | 149.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I375 M379 V386 | I375-A377 PolarHBondContact O-N 3.45Å; I375-A377 VanDerWaalsContact O-N 3.12Å; A377-M379 PolarHBondContact O-N 2.99Å; A377-V386 HydrophobicContact CB-CG1 3.88Å | ||
| 378 | Q | 33.3 | Very low | 36.4 | Very low | 183 Ų | 183 | 112.1 Ų | 112.1 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -70.4 | 112.5 | 178.9 | -69.7 | -177.5 | -7.8 | 0 | 0 | 110.9 | ||||
| 379 | M | 31.1 | Very low | 36.7 | Very low | 143 Ų | 143 | 109.6 Ų | 109.6 | 70% | 0.704 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.7 | 169.6 | -69.1 | 178.3 | 177.4 | 0 | 0 | 110 | A377 I381 | A377-M379 PolarHBondContact O-N 2.99Å; M379-I381 PolarHBondContact O-N 3.18Å |
| 380 | N | 34.3 | Very low | 37.1 | Very low | 91 Ų | 91 | 106.1 Ų | 106.1 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.7 | 170.7 | -167.6 | -4.6 | 0 | 0 | 0 | 110.2 | S382 T383 N384 | N380-S382 PolarHBondContact ND2-OG 3.48Å; N380-S382 PolarHBondContact O-N 3.47Å; N380-S382 PolarHBondContact OD1-N 3.44Å; N380-S382 PolarHBondContact OD1-OG 3.33Å; N380-S382 VanDerWaalsContact OD1-OG 3.1Å; N380-T383 PolarHBondContact O-N 3Å; N380-T383 VanDerWaalsContact O-N 3.13Å; N380-N384 PolarHBondContact O-N 3.17Å; N380-N384 VanDerWaalsContact O-N 3.13Å |
| 381 | I | 34.6 | Very low | 37.3 | Very low | 160 Ų | 160 | 103.6 Ų | 103.6 | 82% | 0.821 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -18.8 | -173.3 | -61.2 | 169.9 | 0 | 0 | 0 | 111.9 | M379 | M379-I381 PolarHBondContact O-N 3.18Š|
| 382 | S | 35.7 | Very low | 37.9 | Very low | 97 Ų | 97 | 101.6 Ų | 101.6 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -18.8 | 175.3 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | N380 | N380-S382 PolarHBondContact ND2-OG 3.48Å; N380-S382 PolarHBondContact O-N 3.47Å; N380-S382 PolarHBondContact OD1-N 3.44Å; N380-S382 PolarHBondContact OD1-OG 3.33Å; N380-S382 VanDerWaalsContact OD1-OG 3.1Å |
| 383 | T | 41.5 | Very low | 38.2 | Very low | 76 Ų | 76 | 100.1 Ų | 100.1 | 47% | 0.466 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.6 | -8.9 | -170.9 | 55.4 | 0 | 0 | 0 | 0 | 115.8 | N380 T385 | N380-T383 PolarHBondContact O-N 3Å; N380-T383 VanDerWaalsContact O-N 3.13Å; T383-T385 PolarHBondContact O-N 3.28Å; T383-T385 VanDerWaalsContact O-N 3.14Å; T383-T385 PolarHBondContact OG1-OG1 3.35Å |
| 384 | N | 36.4 | Very low | 38.6 | Very low | 138 Ų | 138 | 96.5 Ų | 96.5 | 74% | 0.738 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.4 | 23.9 | -174.7 | -80.2 | -33.3 | 0 | 0 | 0 | 114.3 | N380 | N380-N384 PolarHBondContact O-N 3.17Å; N380-N384 VanDerWaalsContact O-N 3.13Å |
| 385 | T | 40.5 | Very low | 38.7 | Very low | 41 Ų | 41 | 96.7 Ų | 96.7 | 25% | 0.252 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.8 | 177.5 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | T383 P403 | T383-T385 PolarHBondContact O-N 3.28Å; T383-T385 VanDerWaalsContact O-N 3.14Å; T383-T385 PolarHBondContact OG1-OG1 3.35Å; T385-P403 HydrophobicContact CG2-CB 4.4Å; T385-P403 HydrophobicContact CG2-CG 4.32Å |
| 386 | V | 41.1 | Very low | 38.9 | Very low | 38 Ų | 38 | 98.5 Ų | 98.5 | 23% | 0.23 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.1 | 165.1 | -178 | 0 | 0 | 0 | 0 | 108 | A377 I388 P403 N405 | A377-V386 HydrophobicContact CB-CG1 3.88Å; V386-I388 HydrophobicContact CG1-CG1 4.3Å; V386-P403 PolarHBondContact N-O 3.21Å; V386-N405 PolarHBondContact O-N 3.29Å |
| 387 | N | 46 | Very low | 39.2 | Very low | 84 Ų | 84 | 98.2 Ų | 98.2 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.7 | 176.5 | -169.7 | 11.6 | 0 | 0 | 0 | 109.2 | ||
| 388 | I | 48.2 | Very low | 39.2 | Very low | 63 Ų | 63 | 98.4 Ų | 98.4 | 32% | 0.323 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 108.8 | -179.7 | -55.3 | 177.6 | 0 | 0 | 0 | 108 | V386 V392 | V386-I388 HydrophobicContact CG1-CG1 4.3Å; I388-V392 HydrophobicContact CG2-CG2 4.41Å |
| 389 | T | 42.1 | Very low | 39.7 | Very low | 97 Ų | 97 | 94.3 Ų | 94.3 | 60% | 0.595 | 54% | 0.539 | S | S | * | . | trans | -114.7 | 23.8 | -169.7 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 390 | S | 37.8 | Very low | 40.4 | Very low | 78 Ų | 78 | 89.8 Ų | 89.8 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -155.7 | 148.8 | 177.2 | -69.3 | 0 | 0 | 0 | 0 | 110.8 | V392 | S390-V392 PolarHBondContact O-N 2.89Š|
| 391 | P | 40.4 | Very low | 40.7 | Very low | 114 Ų | 114 | 90.9 Ų | 90.9 | 74% | 0.74 | 53% | 0.527 | S | S | * | . | trans | -68.3 | 124.7 | 179 | 27.8 | -34.1 | 0 | 0 | 0 | 110.9 | ||||
| 392 | V | 42.6 | Very low | 41 | Very low | 88 Ų | 88 | 84.2 Ų | 84.2 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | trans | -112.8 | 116.6 | 178.8 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | I388 S390 L394 | I388-V392 HydrophobicContact CG2-CG2 4.41Å; S390-V392 PolarHBondContact O-N 2.89Å; V392-L394 HydrophobicContact CG1-CD2 3.66Å; V392-L394 HydrophobicContact CG1-CG 3.98Å; V392-L394 PolarHBondContact O-N 2.95Å | ||
| 393 | S | 38.3 | Very low | 41.3 | Very low | 90 Ų | 90 | 82.6 Ų | 82.6 | 63% | 0.629 | 49% | 0.485 | S | S | * | . | trans | -80 | 104 | 173.1 | -169 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 394 | L | 41.4 | Very low | 41.6 | Very low | 57 Ų | 57 | 79.3 Ų | 79.3 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | trans | -96.4 | 109 | -176.3 | -67.3 | 173.5 | 0 | 0 | 0 | 110.9 | I375 V392 H396 V398 A415 M417 | I375-L394 HydrophobicContact CD1-CD2 4.1Å; V392-L394 HydrophobicContact CG1-CD2 3.66Å; V392-L394 HydrophobicContact CG1-CG 3.98Å; V392-L394 PolarHBondContact O-N 2.95Å; L394-H396 VanDerWaalsContact C-N 3.31Å; L394-V398 HydrophobicContact CD1-CG2 3.94Å; L394-V398 HydrophobicContact CD2-CG2 4.09Å; L394-A415 VanDerWaalsContact O-CB 3.23Å; L394-A415 WeakPolarHBondContact O-CB 3.22Å; L394-M417 HydrophobicContact CD1-SD 4.5Å | ||
| 395 | Q | 37.1 | Very low | 42.1 | Very low | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -86.9 | 4.9 | 177.2 | -69.9 | -68.5 | -29.2 | 0 | 0 | 113.8 | ||
| 396 | H | 40.8 | Very low | 42.6 | Very low | 148 Ų | 148 | 75.2 Ų | 75.2 | 69% | 0.685 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -144.4 | 149.7 | -177.9 | -68.1 | 87.8 | 0 | 0 | 0 | 110 | L394 | L394-H396 VanDerWaalsContact C-N 3.31Š|
| 397 | P | 38.2 | Very low | 42.5 | Very low | 97 Ų | 97 | 76.2 Ų | 76.2 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | trans | -67 | 135.7 | -179.9 | 27.5 | -34.8 | 0 | 0 | 0 | 111.8 | P416 | P397-P416 HydrophobicContact CB-CG 4.45Š| ||
| 398 | V | 42.3 | Very low | 42.2 | Very low | 47 Ų | 47 | 75.9 Ų | 75.9 | 29% | 0.285 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.3 | -179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | L394 I400 N418 | L394-V398 HydrophobicContact CD1-CG2 3.94Å; L394-V398 HydrophobicContact CD2-CG2 4.09Å; V398-I400 HydrophobicContact CG1-CG1 4.11Å; V398-N418 PolarHBondContact O-N 2.79Å |
| 399 | T | 42.3 | Very low | 41.7 | Very low | 97 Ų | 97 | 77.6 Ų | 77.6 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.6 | 175 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | T401 N418 | T399-T401 HydrophobicContact CG2-CG2 4.4Å; T399-N418 WeakPolarHBondContact CA-O 3.37Å |
| 400 | I | 47.2 | Very low | 41.4 | Very low | 47 Ų | 47 | 79.4 Ų | 79.4 | 24% | 0.241 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.9 | -179.7 | -51.3 | 178.3 | 0 | 0 | 0 | 110.8 | V398 V404 N418 A420 | V398-I400 HydrophobicContact CG1-CG1 4.11Å; I400-V404 HydrophobicContact CD1-CG2 4.3Å; I400-V404 HydrophobicContact CG2-CG2 3.68Å; I400-N418 PolarHBondContact N-O 2.87Å; I400-A420 PolarHBondContact O-N 2.88Å |
| 401 | T | 41 | Very low | 41.5 | Very low | 114 Ų | 114 | 80.1 Ų | 80.1 | 70% | 0.699 | 47% | 0.474 | S | S | * | . | trans | -114 | 42.2 | -173.3 | 56 | 0 | 0 | 0 | 0 | 112.9 | T399 | T399-T401 HydrophobicContact CG2-CG2 4.4Š| ||
| 402 | G | 40.7 | Very low | 41 | Very low | 21 Ų | 21 | 79.2 Ų | 79.2 | 22% | 0.216 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -167.9 | 171.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 403 | P | 42.4 | Very low | 40.9 | Very low | 62 Ų | 62 | 78 Ų | 78 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | trans | -71.9 | 134.6 | -179.4 | 30.1 | -34.3 | 0 | 0 | 0 | 111.7 | T385 V386 | T385-P403 HydrophobicContact CG2-CB 4.4Å; T385-P403 HydrophobicContact CG2-CG 4.32Å; V386-P403 PolarHBondContact N-O 3.21Å | ||
| 404 | V | 46.6 | Very low | 40.9 | Very low | 8 Ų | 8 | 79.9 Ų | 79.9 | 5% | 0.048 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.2 | -179.2 | -167.4 | 0 | 0 | 0 | 0 | 109 | I400 I406 A424 | I400-V404 HydrophobicContact CD1-CG2 4.3Å; I400-V404 HydrophobicContact CG2-CG2 3.68Å; V404-I406 HydrophobicContact CB-CG1 4.42Å; V404-I406 HydrophobicContact CG1-CD1 4.33Å; V404-I406 HydrophobicContact CG1-CG1 3.7Å; V404-A424 PolarHBondContact O-N 3.48Å |
| 405 | N | 47.6 | Very low | 40.9 | Very low | 46 Ų | 46 | 78.9 Ų | 78.9 | 25% | 0.246 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136.6 | 160.7 | -168.9 | -13 | 0 | 0 | 0 | 108.1 | V386 A424 T426 | V386-N405 PolarHBondContact O-N 3.29Å; N405-A424 PolarHBondContact OD1-O 3.32Å; N405-T426 PolarHBondContact ND2-OG1 2.98Å; N405-T426 PolarHBondContact OD1-OG1 3.4Å |
| 406 | I | 50.6 | Low | 41.2 | Very low | 47 Ų | 47 | 76.6 Ų | 76.6 | 24% | 0.241 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 108 | -170.6 | -46.1 | 175 | 0 | 0 | 0 | 108.3 | V404 V409 V423 | V404-I406 HydrophobicContact CB-CG1 4.42Å; V404-I406 HydrophobicContact CG1-CD1 4.33Å; V404-I406 HydrophobicContact CG1-CG1 3.7Å; I406-V409 HydrophobicContact CG2-CG2 3.37Å; I406-V423 HydrophobicContact CD1-CG1 4.04Å; I406-V423 HydrophobicContact CG1-CG1 4.45Å |
| 407 | A | 40 | Very low | 41.3 | Very low | 58 Ų | 58 | 72.9 Ų | 72.9 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -86.5 | -21.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 408 | S | 38.2 | Very low | 41.8 | Very low | 78 Ų | 78 | 72.7 Ų | 72.7 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | trans | -155.9 | 143.2 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 409 | V | 38.7 | Very low | 42.2 | Very low | 99 Ų | 99 | 72.2 Ų | 72.2 | 60% | 0.6 | 45% | 0.445 | S | S | * | . | trans | -137.8 | 123.3 | 179 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | I406 I411 | I406-V409 HydrophobicContact CG2-CG2 3.37Å; V409-I411 HydrophobicContact CG1-CD1 3.51Å; V409-I411 HydrophobicContact CG1-CG1 3.6Å | ||
| 410 | N | 36.2 | Very low | 41.9 | Very low | 135 Ų | 135 | 70.6 Ų | 70.6 | 72% | 0.722 | 44% | 0.442 | S | S | * | . | trans | -134.2 | 121.2 | 160.5 | -173.3 | -1.9 | 0 | 0 | 0 | 106.8 | P412 | N410-P412 WeakPolarHBondContact O-CD 3.47Š| ||
| 411 | I | 38.9 | Very low | 41.9 | Very low | 93 Ų | 93 | 72.9 Ų | 72.9 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | trans | -117.5 | 98.6 | -173.6 | -64.1 | 164.3 | 0 | 0 | 0 | 108.6 | V409 M417 | V409-I411 HydrophobicContact CG1-CD1 3.51Å; V409-I411 HydrophobicContact CG1-CG1 3.6Å; I411-M417 HydrophobicContact CD1-CE 3.92Å | ||
| 412 | P | 30.5 | Very low | 42 | Very low | 95 Ų | 95 | 72.7 Ų | 72.7 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | trans | -59.7 | 142.4 | 154.5 | -17.8 | 32.1 | 0 | 0 | 0 | 109.5 | N410 | N410-P412 WeakPolarHBondContact O-CD 3.47Š| ||
| 413 | A | 38.9 | Very low | 42.2 | Very low | 63 Ų | 63 | 74.5 Ų | 74.5 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -67.8 | 172 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 414 | T | 39.7 | Very low | 42.1 | Very low | 128 Ų | 128 | 74.1 Ų | 74.1 | 79% | 0.785 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 104.4 | -4.8 | 159.5 | 72.2 | 0 | 0 | 0 | 0 | 121.1 | ||
| 415 | A | 41.7 | Very low | 42.1 | Very low | 36 Ų | 36 | 79.9 Ų | 79.9 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | trans | -120.4 | 129.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L394 | L394-A415 VanDerWaalsContact O-CB 3.23Å; L394-A415 WeakPolarHBondContact O-CB 3.22Å | ||
| 416 | P | 43.2 | Very low | 41.6 | Very low | 90 Ų | 90 | 82.1 Ų | 82.1 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | trans | -79.9 | 136 | 176.7 | 31.6 | -33 | 0 | 0 | 0 | 111.8 | P397 | P397-P416 HydrophobicContact CB-CG 4.45Š| ||
| 417 | M | 43.3 | Very low | 40.9 | Very low | 70 Ų | 70 | 84 Ų | 84 | 35% | 0.345 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 146.3 | 170.8 | -70.5 | -166.3 | -72.1 | 0 | 0 | 111.2 | L394 I411 | L394-M417 HydrophobicContact CD1-SD 4.5Å; I411-M417 HydrophobicContact CD1-CE 3.92Å |
| 418 | N | 47.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 87 Ų | 87 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.6 | 175.9 | -171.2 | -13 | 0 | 0 | 0 | 110.2 | V398 T399 I400 | V398-N418 PolarHBondContact O-N 2.79Å; T399-N418 WeakPolarHBondContact CA-O 3.37Å; I400-N418 PolarHBondContact N-O 2.87Å |
| 419 | I | 50.4 | Low | 40.2 | Very low | 38 Ų | 38 | 91.9 Ų | 91.9 | 20% | 0.195 | 55% | 0.55 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117 | -173.8 | -54.6 | 173.6 | 0 | 0 | 0 | 108.7 | H421 V423 | I419-H421 WeakPolarHBondContact CG2-O 3.23Å; I419-V423 HydrophobicContact CD1-CG2 4.18Å; I419-V423 HydrophobicContact CG2-CG2 3.77Å |
| 420 | A | 37.3 | Very low | 40.1 | Very low | 63 Ų | 63 | 93.2 Ų | 93.2 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | trans | -95.4 | 2.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I400 | I400-A420 PolarHBondContact O-N 2.88Š| ||
| 421 | H | 46.5 | Very low | 40 | Very low | 95 Ų | 95 | 94.3 Ų | 94.3 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -141.4 | 157.1 | -171.2 | -71.5 | 87.2 | 0 | 0 | 0 | 110.7 | I419 V423 | I419-H421 WeakPolarHBondContact CG2-O 3.23Å; H421-V423 PolarHBondContact O-N 3.01Å |
| 422 | P | 42.4 | Very low | 39.8 | Very low | 110 Ų | 110 | 97.5 Ų | 97.5 | 71% | 0.714 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 137.1 | -178.4 | 24.3 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 423 | V | 44.8 | Very low | 40.1 | Very low | 58 Ų | 58 | 97.5 Ų | 97.5 | 35% | 0.352 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -102.9 | 135.5 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | I406 I419 H421 I425 | I406-V423 HydrophobicContact CD1-CG1 4.04Å; I406-V423 HydrophobicContact CG1-CG1 4.45Å; I419-V423 HydrophobicContact CD1-CG2 4.18Å; I419-V423 HydrophobicContact CG2-CG2 3.77Å; H421-V423 PolarHBondContact O-N 3.01Å; V423-I425 HydrophobicContact CG1-CG1 4.26Å |
| 424 | A | 40.8 | Very low | 39.9 | Very low | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 58% | 0.584 | S | S | . | * | B | Isolated β-bridge | trans | -103.5 | 120.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V404 N405 | V404-A424 PolarHBondContact O-N 3.48Å; N405-A424 PolarHBondContact OD1-O 3.32Å |
| 425 | I | 46.8 | Very low | 39.8 | Very low | 129 Ų | 129 | 94.6 Ų | 94.6 | 66% | 0.662 | 57% | 0.568 | S | S | * | * | trans | -104.9 | 121.6 | 174.8 | -56.1 | 174.6 | 0 | 0 | 0 | 106.9 | V423 | V423-I425 HydrophobicContact CG1-CG1 4.26Š| ||
| 426 | T | 38.2 | Very low | 39.5 | Very low | 93 Ų | 93 | 98.8 Ų | 98.8 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | trans | -113.2 | 12.8 | -168.9 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | N405 | N405-T426 PolarHBondContact ND2-OG1 2.98Å; N405-T426 PolarHBondContact OD1-OG1 3.4Å | ||
| 427 | T | 34.6 | Very low | 39.3 | Very low | 88 Ų | 88 | 98.7 Ų | 98.7 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -143.7 | 146.9 | 176.6 | 46.2 | 0 | 0 | 0 | 0 | 112 | ||
| 428 | P | 33.1 | Very low | 39.3 | Very low | 120 Ų | 120 | 101.6 Ų | 101.6 | 78% | 0.779 | 60% | 0.603 | S | S | * | * | trans | -94.3 | 122.8 | -178.2 | 33.8 | -32 | 0 | 0 | 0 | 114.3 | ||||
| 429 | M | 31.4 | Very low | 39.2 | Very low | 180 Ų | 180 | 102.2 Ų | 102.2 | 89% | 0.887 | 61% | 0.606 | S | S | * | * | trans | 65.8 | 162.4 | 157.5 | -64.5 | -165.7 | -178.1 | 0 | 0 | 118.7 | ||||
| 430 | P | 36.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 104.6 Ų | 104.6 | 83% | 0.825 | 63% | 0.631 | S | S | * | * | cis | -96.1 | 160.5 | -9.1 | 37.8 | -32.5 | 0 | 0 | 0 | 113.1 | ||||
| 431 | M | 32.8 | Very low | 38.1 | Very low | 159 Ų | 159 | 109 Ų | 109 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | trans | -107.7 | 134.6 | 174 | -62.9 | -165.9 | -60.2 | 0 | 0 | 111.2 | I433 | M431-I433 HydrophobicContact CB-CD1 4.34Å; M431-I433 HydrophobicContact CB-CG1 4.31Å; M431-I433 HydrophobicContact CE-CD1 4.2Å; M431-I433 HydrophobicContact SD-CD1 3.99Å | ||
| 432 | N | 35.8 | Very low | 37.4 | Very low | 159 Ų | 159 | 115.1 Ų | 115.1 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | trans | -122.9 | 115 | 160.3 | -174.3 | 4 | 0 | 0 | 0 | 107.7 | ||||
| 433 | I | 37.4 | Very low | 36.8 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 49% | 0.492 | 66% | 0.662 | S | S | . | * | trans | -119.9 | 105.5 | -172.2 | -61 | 173.9 | 0 | 0 | 0 | 108.8 | M431 G435 L437 | M431-I433 HydrophobicContact CB-CD1 4.34Å; M431-I433 HydrophobicContact CB-CG1 4.31Å; M431-I433 HydrophobicContact CE-CD1 4.2Å; M431-I433 HydrophobicContact SD-CD1 3.99Å; I433-G435 WeakPolarHBondContact CG2-O 3.49Å; I433-L437 HydrophobicContact CD1-CD1 4.32Å; I433-L437 HydrophobicContact CG2-CD1 4.16Å | ||
| 434 | A | 32.9 | Very low | 36.6 | Very low | 85 Ų | 85 | 118.4 Ų | 118.4 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | trans | -111.4 | 61 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 435 | G | 39 | Very low | 36.4 | Very low | 44 Ų | 44 | 122.9 Ų | 122.9 | 45% | 0.454 | 70% | 0.698 | S | S | . | * | S | Bend | trans | 170.4 | 157.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I433 L437 | I433-G435 WeakPolarHBondContact CG2-O 3.49Å; G435-L437 PolarHBondContact O-N 2.85Å |
| 436 | P | 34.3 | Very low | 36 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 70% | 0.702 | S | S | * | * | trans | -75.1 | 117.9 | -179 | 29.7 | -33.8 | 0 | 0 | 0 | 112.1 | ||||
| 437 | L | 40.5 | Very low | 35.9 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 47% | 0.466 | 72% | 0.715 | S | S | . | * | trans | -97.2 | 125.3 | 171 | -80.9 | 162.9 | 0 | 0 | 0 | 110.2 | I433 G435 I439 | I433-L437 HydrophobicContact CD1-CD1 4.32Å; I433-L437 HydrophobicContact CG2-CD1 4.16Å; G435-L437 PolarHBondContact O-N 2.85Å; L437-I439 HydrophobicContact CB-CD1 3.81Å | ||
| 438 | N | 43 | Very low | 36.1 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 103.7 | 174.9 | -104.4 | -55.3 | 0 | 0 | 0 | 110.3 | ||
| 439 | I | 43.9 | Very low | 36.1 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 54% | 0.538 | 73% | 0.731 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 114.8 | 173 | -58.6 | 91.5 | 0 | 0 | 0 | 109 | L437 M441 | L437-I439 HydrophobicContact CB-CD1 3.81Å; I439-M441 VanDerWaalsContact C-N 3.34Å; I439-M441 HydrophobicContact CG2-CE 4.37Å; I439-M441 HydrophobicContact CG2-CG 4.21Å; I439-M441 PolarHBondContact O-N 3.07Å |
| 440 | A | 34.2 | Very low | 36.1 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -79.1 | 79.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 441 | M | 30.9 | Very low | 36 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -63.5 | 137.7 | 172.1 | -65.7 | -93.9 | 66.7 | 0 | 0 | 110.7 | I439 | I439-M441 VanDerWaalsContact C-N 3.34Å; I439-M441 HydrophobicContact CG2-CE 4.37Å; I439-M441 HydrophobicContact CG2-CG 4.21Å; I439-M441 PolarHBondContact O-N 3.07Å | ||
| 442 | R | 32.4 | Very low | 36.1 | Very low | 223 Ų | 223 | 129.8 Ų | 129.8 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | trans | -105.2 | 143.2 | 164.6 | -68.7 | -172.7 | 176.4 | -153.9 | -1.4 | 109 | ||||
| 443 | P | 29.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -57.6 | 147.5 | 173.2 | -23.6 | 34.3 | 0 | 0 | 0 | 111.9 | ||||
| 444 | V | 41.1 | Very low | 35.8 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -90.2 | -2.1 | -172.4 | -72.8 | 0 | 0 | 0 | 0 | 114.1 | S446 | V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.02Å |
| 445 | D | 35.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -82.6 | 49.1 | -172.5 | -53.8 | -76.2 | 0 | 0 | 0 | 114.4 | ||||
| 446 | S | 39.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -156.3 | 50.2 | 173.2 | 49.7 | 0 | 0 | 0 | 0 | 115 | V444 | V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.02Å | ||
| 447 | M | 35.8 | Very low | 35.8 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 129.9 | 160.3 | -68.2 | -164.1 | -177.5 | 0 | 0 | 111 | F449 | M447-F449 PolarHBondContact O-N 3.38Š|
| 448 | P | 38.2 | Very low | 36 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 123.3 | 167.4 | 29.4 | -31.7 | 0 | 0 | 0 | 109.5 | L450 | P448-L450 PolarHBondContact O-N 3.04Š|
| 449 | F | 33.8 | Very low | 36.4 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60 | 117.6 | 169.3 | -93.2 | -107 | 0 | 0 | 0 | 109.9 | M447 | M447-F449 PolarHBondContact O-N 3.38Š|
| 450 | L | 31.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -101.6 | 110.2 | 157 | -83.5 | 171 | 0 | 0 | 0 | 107.7 | P448 | P448-L450 PolarHBondContact O-N 3.04Š| ||
| 451 | S | 33 | Very low | 36.3 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 141.6 | -175.8 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 452 | Q | 35.3 | Very low | 36.6 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -71 | 134.7 | 177.3 | -58.2 | 173.3 | 15.4 | 0 | 0 | 110.2 | ||||
| 453 | V | 31.4 | Very low | 36.8 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -107.7 | 103 | 162.2 | 179.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 454 | L | 35.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | trans | -79.4 | 132.2 | 175.4 | -74.3 | 163.2 | 0 | 0 | 0 | 109.9 | S456 | L454-S456 PolarHBondContact O-N 3.39Š| ||
| 455 | P | 34.6 | Very low | 37 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 109.2 | 164.5 | 30.6 | -30.5 | 0 | 0 | 0 | 109.2 | ||||
| 456 | S | 33 | Very low | 37 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 124.7 | 172.8 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | L454 | L454-S456 PolarHBondContact O-N 3.39Š|
| 457 | S | 39.2 | Very low | 36.9 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137 | 168.2 | -52.7 | 0 | 0 | 0 | 0 | 111 | ||
| 458 | P | 44.9 | Very low | 37 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.4 | 168.5 | 32.7 | -33.4 | 0 | 0 | 0 | 110.9 | ||
| 459 | P | 50.7 | Low | 36.9 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 66% | 0.662 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 159.7 | 161.1 | 36.5 | -32.4 | 0 | 0 | 0 | 111.4 | ||
| 460 | W | 39.7 | Very low | 37.2 | Very low | 332 Ų | 332 | 147.1 Ų | 147.1 | 100% | 1.258 | 82% | 0.82 | S | S | * | * | trans | 83.9 | 0 | 178.1 | -50.9 | -4 | 0 | 0 | 0 | 114.5 |
Retrieved 460 of 460 residues in 375.1 ms
(Link to these results)