| 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 | A | 44.9 | Very low | 56.3 | Low | 160 Ų | 160 | 153.6 Ų | 153.6 | 100% | 1.322 | 88% | 0.876 | S | S | * | * | 0 | 109.5 | 0 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 2 | D | 45.8 | Very low | 57.9 | Low | 162 Ų | 162 | 149.7 Ų | 149.7 | 87% | 0.866 | 86% | 0.86 | S | S | * | * | trans | -77.6 | 136.6 | -167.3 | -148.5 | -98.3 | 0 | 0 | 0 | 110.6 | ||||
| 3 | R | 55.5 | Low | 59.4 | Low | 237 Ų | 237 | 147.2 Ų | 147.2 | 89% | 0.894 | 85% | 0.853 | S | S | * | * | trans | -97.7 | 116.4 | -176.1 | -155 | -178.9 | -168.6 | 167.3 | 2.8 | 107.8 | A5 | R3-A5 PolarHBondContact O-N 3.12Å; R3-A5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | P | 52.5 | Low | 60.7 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 85% | 0.845 | S | S | * | * | trans | -74.5 | 112.8 | -178.3 | 27.8 | -29.9 | 0 | 0 | 0 | 109.6 | L6 | P4-L6 PolarHBondContact O-N 3.19Š| ||
| 5 | A | 54.3 | Low | 61.8 | Low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | trans | -70.3 | 103.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | R3 R7 | R3-A5 PolarHBondContact O-N 3.12Å; R3-A5 VanDerWaalsContact O-N 3.12Å; A5-R7 PolarHBondContact O-N 3.02Å | ||
| 6 | L | 56.3 | Low | 62.6 | Low | 168 Ų | 168 | 141.6 Ų | 141.6 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -64 | 103.1 | 172.1 | -76.2 | 162.1 | 0 | 0 | 0 | 108.9 | P4 S8 | P4-L6 PolarHBondContact O-N 3.19Å; L6-S8 PolarHBondContact O-N 3.44Å | ||
| 7 | R | 60.3 | Low | 63.4 | Low | 242 Ų | 242 | 139.9 Ų | 139.9 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.8 | 169.7 | -78 | -179.7 | 168.3 | -153.8 | -2.3 | 108.9 | A5 | A5-R7 PolarHBondContact O-N 3.02Š|
| 8 | S | 60.7 | Low | 64 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.6 | 173.1 | -38.5 | 0 | 0 | 0 | 0 | 110.6 | L6 S10 | L6-S8 PolarHBondContact O-N 3.44Å; S8-S10 PolarHBondContact O-N 3.35Å |
| 9 | P | 61.1 | Low | 64.4 | Low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 129.7 | 174.8 | 27.2 | -31.9 | 0 | 0 | 0 | 110.2 | L11 | P9-L11 PolarHBondContact O-N 3.22Š|
| 10 | S | 60.6 | Low | 65.1 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -62.1 | 115.5 | 174.1 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | S8 | S8-S10 PolarHBondContact O-N 3.35Š| ||
| 11 | L | 67.6 | Low | 65.4 | Low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 137.6 | 174.7 | -83.9 | 152.1 | 0 | 0 | 0 | 110.2 | P9 | P9-L11 PolarHBondContact O-N 3.22Š|
| 12 | P | 75.9 | Confident | 66.9 | Low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 149.6 | 173.7 | 26.8 | -33 | 0 | 0 | 0 | 110.9 | ||
| 13 | P | 77.3 | Confident | 68.3 | Low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 146.1 | 178.5 | 26.8 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 14 | P | 77.2 | Confident | 69.5 | Low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 148.1 | 177.5 | 27.3 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 15 | P | 77.9 | Confident | 70.7 | Confident | 112 Ų | 112 | 121.7 Ų | 121.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152.2 | 176.9 | 27.3 | -34.3 | 0 | 0 | 0 | 111.3 | S17 | P15-S17 PolarHBondContact O-N 3.41Š|
| 16 | P | 74.6 | Confident | 71.9 | Confident | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 133 | 177.2 | 26 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 17 | S | 75.1 | Confident | 73.1 | Confident | 113 Ų | 113 | 119.8 Ų | 119.8 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.1 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | P15 | P15-S17 PolarHBondContact O-N 3.41Š|
| 18 | P | 75.2 | Confident | 73.9 | Confident | 109 Ų | 109 | 112.3 Ų | 112.3 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 149 | 176.8 | 26.7 | -33.9 | 0 | 0 | 0 | 110.8 | S20 | P18-S20 PolarHBondContact O-N 3.33Š|
| 19 | P | 71.6 | Confident | 74.8 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.8 | 177.8 | 24.8 | -32.8 | 0 | 0 | 0 | 110.1 | ||
| 20 | S | 78 | Confident | 75.6 | Confident | 72 Ų | 72 | 111 Ų | 111 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 133.7 | -179.8 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | P18 L22 L23 | P18-S20 PolarHBondContact O-N 3.33Å; S20-L22 PolarHBondContact O-N 3.48Å; S20-L23 WeakPolarHBondContact O-CB 3.4Å; S20-L23 PolarHBondContact O-N 3.16Å |
| 21 | P | 71.6 | Confident | 76.4 | Confident | 94 Ų | 94 | 111 Ų | 111 | 61% | 0.61 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.4 | -22.7 | -175.7 | 22.9 | -33.7 | 0 | 0 | 0 | 113.4 | L23 L24 L25 | P21-L23 VanDerWaalsContact C-N 3.29Å; P21-L23 PolarHBondContact O-N 3.38Å; P21-L24 WeakPolarHBondContact O-CB 3.2Å; P21-L24 PolarHBondContact O-N 3.46Å; P21-L25 PolarHBondContact O-N 3.13Å |
| 22 | L | 75.2 | Confident | 76.6 | Confident | 136 Ų | 136 | 112 Ų | 112 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.5 | -32.5 | 174.2 | -65.2 | 175.8 | 0 | 0 | 0 | 112.9 | S20 L24 L25 L26 | S20-L22 PolarHBondContact O-N 3.48Å; L22-L24 VanDerWaalsContact C-N 3.29Å; L22-L24 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 3.11Å; L22-L26 PolarHBondContact O-N 3.18Å |
| 23 | L | 77 | Confident | 76.4 | Confident | 116 Ų | 116 | 112.9 Ų | 112.9 | 61% | 0.607 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.8 | -29.3 | 176.4 | -65.2 | 176.3 | 0 | 0 | 0 | 111.8 | S20 P21 L25 | S20-L23 WeakPolarHBondContact O-CB 3.4Å; S20-L23 PolarHBondContact O-N 3.16Å; P21-L23 VanDerWaalsContact C-N 3.29Å; P21-L23 PolarHBondContact O-N 3.38Å; L23-L25 VanDerWaalsContact C-N 3.33Å |
| 24 | L | 79.2 | Confident | 76 | Confident | 120 Ų | 120 | 110 Ų | 110 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.4 | -25.6 | 174.7 | -59.7 | 175.6 | 0 | 0 | 0 | 112 | P21 L22 | P21-L24 WeakPolarHBondContact O-CB 3.2Å; P21-L24 PolarHBondContact O-N 3.46Å; L22-L24 VanDerWaalsContact C-N 3.29Å; L22-L24 PolarHBondContact O-N 3.07Å |
| 25 | L | 77.4 | Confident | 75.4 | Confident | 107 Ų | 107 | 111.5 Ų | 111.5 | 56% | 0.56 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.6 | -23.2 | 178.4 | -116.3 | 97.1 | 0 | 0 | 0 | 113.8 | P21 L22 L23 L28 L29 | P21-L25 PolarHBondContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 3.11Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L25-L28 WeakPolarHBondContact O-CB 3.08Å; L25-L28 PolarHBondContact O-N 3.3Å; L25-L29 PolarHBondContact O-N 3.4Å |
| 26 | L | 81 | Confident | 74.5 | Confident | 126 Ų | 126 | 114.3 Ų | 114.3 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -52 | -45.7 | -178.1 | -153.8 | 82.2 | 0 | 0 | 0 | 114.2 | L22 L28 | L22-L26 PolarHBondContact O-N 3.18Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.26Å |
| 27 | P | 81.4 | Confident | 73.3 | Confident | 97 Ų | 97 | 110.2 Ų | 110.2 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.7 | 178 | 30.7 | -36.4 | 0 | 0 | 0 | 113.9 | P30 | P27-P30 WeakPolarHBondContact O-CD 3.29Š|
| 28 | L | 77.3 | Confident | 72.3 | Confident | 84 Ų | 84 | 111.7 Ų | 111.7 | 44% | 0.44 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -89.3 | -18.5 | 179.2 | -123.2 | 76.1 | 0 | 0 | 0 | 112.8 | L25 L26 P30 L31 W32 | L25-L28 WeakPolarHBondContact O-CB 3.08Å; L25-L28 PolarHBondContact O-N 3.3Å; L26-L28 VanDerWaalsContact C-N 3.28Å; L26-L28 PolarHBondContact O-N 3.26Å; L28-P30 VanDerWaalsContact C-CD 3.42Å; L28-L31 WeakPolarHBondContact O-CB 3.41Å; L28-L31 PolarHBondContact O-N 2.94Å; L28-W32 PolarHBondContact O-N 2.92Å |
| 29 | L | 79.1 | Confident | 71.3 | Confident | 116 Ų | 116 | 109.6 Ų | 109.6 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -55.5 | -43.8 | 179.6 | -153.2 | 100.4 | 0 | 0 | 0 | 113.6 | L25 L31 W32 L33 | L25-L29 PolarHBondContact O-N 3.4Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 PolarHBondContact O-N 3.03Å; L29-W32 PolarHBondContact O-N 2.92Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 PolarHBondContact O-N 2.82Å |
| 30 | P | 78.1 | Confident | 70.4 | Confident | 85 Ų | 85 | 110.4 Ų | 110.4 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.3 | -31.9 | 179.2 | -16.2 | 30.1 | 0 | 0 | 0 | 112.6 | P27 L28 L33 G34 | P27-P30 WeakPolarHBondContact O-CD 3.29Å; L28-P30 VanDerWaalsContact C-CD 3.42Å; P30-L33 PolarHBondContact O-N 3.5Å; P30-G34 PolarHBondContact O-N 3.18Å |
| 31 | L | 77.3 | Confident | 69.3 | Low | 125 Ų | 125 | 111.6 Ų | 111.6 | 65% | 0.654 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.2 | -39.5 | 178.6 | -176 | 70.5 | 0 | 0 | 0 | 111.1 | L28 L29 L35 | L28-L31 WeakPolarHBondContact O-CB 3.41Å; L28-L31 PolarHBondContact O-N 2.94Å; L29-L31 VanDerWaalsContact C-N 3.29Å; L29-L31 PolarHBondContact O-N 3.03Å; L31-L35 PolarHBondContact O-N 3.41Å |
| 32 | W | 71.3 | Confident | 68.4 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 69% | 0.693 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.4 | -40.3 | 173.4 | -82.9 | 95.2 | 0 | 0 | 0 | 112.4 | L28 L29 L35 M36 | L28-W32 PolarHBondContact O-N 2.92Å; L29-W32 PolarHBondContact O-N 2.92Å; W32-L35 WeakPolarHBondContact O-CB 3.25Å; W32-L35 PolarHBondContact O-N 3.46Å; W32-M36 PolarHBondContact O-N 3.49Å |
| 33 | L | 70.9 | Confident | 66.8 | Low | 123 Ų | 123 | 112.2 Ų | 112.2 | 64% | 0.644 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.5 | -36.5 | 178.5 | -166.9 | 64.4 | 0 | 0 | 0 | 112 | L29 P30 L35 M36 | L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 PolarHBondContact O-N 2.82Å; P30-L33 PolarHBondContact O-N 3.5Å; L33-L35 PolarHBondContact O-N 2.91Å; L33-M36 PolarHBondContact O-N 3.36Å; L33-M36 VanDerWaalsContact O-N 3.15Å |
| 34 | G | 70.3 | Confident | 65.7 | Low | 56 Ų | 56 | 110 Ų | 110 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.4 | -27.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P30 M36 | P30-G34 PolarHBondContact O-N 3.18Å; G34-M36 VanDerWaalsContact C-N 3.34Å |
| 35 | L | 63.6 | Low | 63.8 | Low | 146 Ų | 146 | 109.8 Ų | 109.8 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -76.5 | -22.1 | 175.2 | -141 | 77.8 | 0 | 0 | 0 | 112.9 | L31 W32 L33 G37 | L31-L35 PolarHBondContact O-N 3.41Å; W32-L35 WeakPolarHBondContact O-CB 3.25Å; W32-L35 PolarHBondContact O-N 3.46Å; L33-L35 PolarHBondContact O-N 2.91Å; L35-G37 VanDerWaalsContact C-N 3.31Å |
| 36 | M | 59.1 | Low | 62.4 | Low | 172 Ų | 172 | 113.7 Ų | 113.7 | 85% | 0.847 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 3.3 | 179.1 | -137.6 | -165.5 | 166.6 | 0 | 0 | 114 | W32 L33 G34 | W32-M36 PolarHBondContact O-N 3.49Å; L33-M36 PolarHBondContact O-N 3.36Å; L33-M36 VanDerWaalsContact O-N 3.15Å; G34-M36 VanDerWaalsContact C-N 3.34Å |
| 37 | G | 48.9 | Very low | 61.3 | Low | 40 Ų | 40 | 113.5 Ų | 113.5 | 41% | 0.412 | 71% | 0.711 | S | S | . | * | trans | 73.1 | 124.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | L35 G39 | L35-G37 VanDerWaalsContact C-N 3.31Å; G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 2.9Å | ||
| 38 | P | 54.6 | Low | 59.1 | Low | 143 Ų | 143 | 113.5 Ų | 113.5 | 93% | 0.929 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 85.5 | 171 | 30.5 | -30.2 | 0 | 0 | 0 | 109 | ||
| 39 | G | 53.7 | Low | 57.9 | Low | 65 Ų | 65 | 116.8 Ų | 116.8 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.6 | -2.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | G37 A41 | G37-G39 VanDerWaalsContact C-N 3.31Å; G37-G39 PolarHBondContact O-N 2.9Å; G39-A41 PolarHBondContact O-N 3.36Å |
| 40 | A | 54.1 | Low | 56.2 | Low | 112 Ų | 112 | 114.6 Ų | 114.6 | 93% | 0.926 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -84 | 13 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 41 | A | 55.4 | Low | 54.8 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -146 | 73.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G39 | G39-A41 PolarHBondContact O-N 3.36Š|
| 42 | A | 51.7 | Low | 53.1 | Low | 91 Ų | 91 | 117.4 Ų | 117.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -171.9 | 139.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 43 | D | 42.3 | Very low | 52 | Low | 152 Ų | 152 | 120.7 Ų | 120.7 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 87.1 | 101.8 | 151.6 | -136.3 | 57.2 | 0 | 0 | 0 | 117.1 | ||||
| 44 | G | 53 | Low | 50.7 | Low | 70 Ų | 70 | 117.9 Ų | 117.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -74.1 | 125.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 45 | S | 40.2 | Very low | 49.6 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -169.5 | 143 | 149.6 | -79.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 46 | E | 47.7 | Very low | 48.5 | Very low | 189 Ų | 189 | 116 Ų | 116 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -64.5 | 176.7 | -167.4 | -87.5 | -175.2 | 97.1 | 0 | 0 | 116.9 | ||||
| 47 | P | 56.7 | Low | 47.9 | Very low | 123 Ų | 123 | 118.7 Ų | 118.7 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -89.7 | 135.7 | -152.2 | 35.6 | -30.9 | 0 | 0 | 0 | 112.9 | ||||
| 48 | A | 36.4 | Very low | 47.4 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -125.3 | 110.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G50 | A48-G50 PolarHBondContact O-N 3.4Å; A48-G50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | T | 51.1 | Low | 46.7 | Very low | 153 Ų | 153 | 120.3 Ų | 120.3 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -42.2 | 111.3 | 161.1 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 50 | G | 43.6 | Very low | 45.8 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -140.2 | 95.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A48 G52 | A48-G50 PolarHBondContact O-N 3.4Å; A48-G50 VanDerWaalsContact O-N 3.12Å; G50-G52 PolarHBondContact O-N 2.85Å | ||
| 51 | E | 48.9 | Very low | 45.1 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -40.6 | 110.2 | 175.2 | -167.1 | 169 | 106 | 0 | 0 | 113.4 | ||||
| 52 | G | 41.3 | Very low | 44.1 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -136.3 | 71.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | G50 G54 | G50-G52 PolarHBondContact O-N 2.85Å; G52-G54 PolarHBondContact O-N 2.92Å | ||
| 53 | R | 49.2 | Very low | 43.4 | Very low | 252 Ų | 252 | 131.6 Ų | 131.6 | 95% | 0.951 | 79% | 0.786 | S | S | * | * | trans | -69 | 71.3 | -177.2 | -167.8 | 179.1 | -168.5 | 165.8 | 3 | 111.2 | ||||
| 54 | G | 42.8 | Very low | 43.1 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -106.8 | 87.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G52 A56 | G52-G54 PolarHBondContact O-N 2.92Å; G54-A56 PolarHBondContact O-N 3.42Å | ||
| 55 | G | 47.5 | Very low | 42.6 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -61.4 | 92.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R57 | G55-R57 VanDerWaalsContact C-N 3.32Å; G55-R57 WeakPolarHBondContact O-CG 3.11Å; G55-R57 PolarHBondContact O-N 3.43Å | ||
| 56 | A | 41.3 | Very low | 42.3 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 93.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | G54 S58 | G54-A56 PolarHBondContact O-N 3.42Å; A56-S58 VanDerWaalsContact C-N 3.32Å; A56-S58 PolarHBondContact O-N 3.48Å | ||
| 57 | R | 46.1 | Very low | 41.9 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -68.2 | 92 | 177.5 | -36.9 | 178.1 | -170.8 | 179.5 | 0.1 | 106.8 | G55 V59 | G55-R57 VanDerWaalsContact C-N 3.32Å; G55-R57 WeakPolarHBondContact O-CG 3.11Å; G55-R57 PolarHBondContact O-N 3.43Å; R57-V59 HydrophobicContact CB-CG2 4.42Å; R57-V59 PolarHBondContact O-N 3.48Å | ||
| 58 | S | 38.1 | Very low | 41.3 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 89.6 | 168.7 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | A56 R60 | A56-S58 VanDerWaalsContact C-N 3.32Å; A56-S58 PolarHBondContact O-N 3.48Å; S58-R60 PolarHBondContact O-N 3.01Å | ||
| 59 | V | 39.8 | Very low | 41.3 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -74.1 | 96.3 | 172.8 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | R57 V61 | R57-V59 HydrophobicContact CB-CG2 4.42Å; R57-V59 PolarHBondContact O-N 3.48Å; V59-V61 HydrophobicContact CG1-CG2 3.82Å; V59-V61 PolarHBondContact O-N 2.9Å | ||
| 60 | R | 35.4 | Very low | 40.6 | Very low | 233 Ų | 233 | 140.1 Ų | 140.1 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -75.8 | 109.1 | 168.6 | -58.7 | -165.8 | -143.6 | -170 | 7 | 107.5 | S58 | S58-R60 PolarHBondContact O-N 3.01Š| ||
| 61 | V | 39.7 | Very low | 40.1 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -92.7 | 104.9 | 173.5 | -173.9 | 0 | 0 | 0 | 0 | 106.9 | V59 V63 | V59-V61 HydrophobicContact CG1-CG2 3.82Å; V59-V61 PolarHBondContact O-N 2.9Å; V61-V63 HydrophobicContact CG1-CG2 4.12Å; V61-V63 PolarHBondContact O-N 3.16Å | ||
| 62 | D | 33.8 | Very low | 39.6 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 103.1 | 174.1 | -161.8 | -101.9 | 0 | 0 | 0 | 108.5 | K64 | D62-K64 PolarHBondContact O-N 3.25Š| ||
| 63 | V | 37.5 | Very low | 39.3 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 66% | 0.655 | 78% | 0.779 | S | S | * | * | trans | -87.2 | 90.9 | 177.8 | -177 | 0 | 0 | 0 | 0 | 107.8 | V61 L65 | V61-V63 HydrophobicContact CG1-CG2 4.12Å; V61-V63 PolarHBondContact O-N 3.16Å; V63-L65 HydrophobicContact CG1-CD1 4.08Å; V63-L65 PolarHBondContact O-N 3.11Å | ||
| 64 | K | 34.5 | Very low | 38.9 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -76.9 | 115.4 | 168.3 | -167.4 | 157.2 | -179.3 | 169.4 | 0 | 108.3 | D62 P66 | D62-K64 PolarHBondContact O-N 3.25Å; K64-P66 WeakPolarHBondContact O-CD 3.23Å | ||
| 65 | L | 42.7 | Very low | 38.6 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -85.9 | 109.9 | 174.6 | -77.3 | 88.6 | 0 | 0 | 0 | 110.3 | V63 | V63-L65 HydrophobicContact CG1-CD1 4.08Å; V63-L65 PolarHBondContact O-N 3.11Å | ||
| 66 | P | 34.6 | Very low | 38.1 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -86 | 146.3 | 153.3 | 33.4 | -24 | 0 | 0 | 0 | 109.1 | K64 Q68 | K64-P66 WeakPolarHBondContact O-CD 3.23Å; P66-Q68 PolarHBondContact O-N 3.21Å | ||
| 67 | R | 38 | Very low | 37.9 | Very low | 222 Ų | 222 | 148.1 Ų | 148.1 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -58.3 | 135.3 | 176.9 | -81.6 | -165.9 | 162.8 | 112.1 | -0.8 | 111.3 | ||||
| 68 | Q | 43.9 | Very low | 37.5 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 58.7 | 115.7 | 135.7 | -61.3 | 174.1 | -6.3 | 0 | 0 | 116.1 | P66 | P66-Q68 PolarHBondContact O-N 3.21Š|
| 69 | D | 37.6 | Very low | 37.2 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 84 | 115 | 171 | -64.6 | -82.3 | 0 | 0 | 0 | 115.4 | ||
| 70 | A | 35.3 | Very low | 37.1 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | trans | 74.9 | 84.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V72 | A70-V72 HydrophobicContact CB-CG2 4.15Å; A70-V72 PolarHBondContact O-N 3.23Å | ||
| 71 | L | 35 | Very low | 38 | Very low | 184 Ų | 184 | 139 Ų | 139 | 96% | 0.963 | 75% | 0.754 | S | S | * | * | trans | -65.2 | 72.4 | 155.2 | -82.6 | 161.3 | 0 | 0 | 0 | 109.3 | L73 | L71-L73 PolarHBondContact O-N 3.27Š| ||
| 72 | V | 37.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -82.8 | 106.7 | 162.6 | 176.1 | 0 | 0 | 0 | 0 | 105.7 | A70 E74 | A70-V72 HydrophobicContact CB-CG2 4.15Å; A70-V72 PolarHBondContact O-N 3.23Å; V72-E74 PolarHBondContact O-N 3.19Å | ||
| 73 | L | 35.5 | Very low | 38 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -64.6 | 81 | 167.1 | -87 | 161.6 | 0 | 0 | 0 | 108.4 | L71 G75 | L71-L73 PolarHBondContact O-N 3.27Å; L73-G75 PolarHBondContact O-N 2.83Å | ||
| 74 | E | 40.5 | Very low | 38.7 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 72.9 | 172.1 | -154.9 | -164.9 | 133.2 | 0 | 0 | 109 | V72 R77 | V72-E74 PolarHBondContact O-N 3.19Å; E74-R77 IonicContact OE1-CZ 3.73Å; E74-R77 IonicContact OE1-NH2 3.82Å; E74-R77 PolarHBondContact OE1-NH2 2.91Å; E74-R77 IonicContact OE2-NH2 2.73Å |
| 75 | G | 37.2 | Very low | 39.2 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.2 | -4.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L73 | L73-G75 PolarHBondContact O-N 2.83Š|
| 76 | V | 36.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -132.4 | 86.4 | 169.1 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | I78 | V76-I78 VanDerWaalsContact C-N 3.31Å; V76-I78 HydrophobicContact CG1-CB 4.49Å; V76-I78 HydrophobicContact CG1-CD1 4.01Å; V76-I78 HydrophobicContact CG1-CG1 3.86Å; V76-I78 PolarHBondContact O-N 3.38Å; V76-I78 VanDerWaalsContact O-N 3.09Å | ||
| 77 | R | 36.6 | Very low | 40.3 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -72.8 | 92.7 | 162.4 | -54.9 | -73.3 | -178.3 | 173.5 | 0.2 | 106.6 | E74 | E74-R77 IonicContact OE1-CZ 3.73Å; E74-R77 IonicContact OE1-NH2 3.82Å; E74-R77 PolarHBondContact OE1-NH2 2.91Å; E74-R77 IonicContact OE2-NH2 2.73Å | ||
| 78 | I | 38.3 | Very low | 40.9 | Very low | 137 Ų | 137 | 131 Ų | 131 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | -122.8 | 82.5 | 153.8 | -56.6 | 176.7 | 0 | 0 | 0 | 105.7 | V76 | V76-I78 VanDerWaalsContact C-N 3.31Å; V76-I78 HydrophobicContact CG1-CB 4.49Å; V76-I78 HydrophobicContact CG1-CD1 4.01Å; V76-I78 HydrophobicContact CG1-CG1 3.86Å; V76-I78 PolarHBondContact O-N 3.38Å; V76-I78 VanDerWaalsContact O-N 3.09Å | ||
| 79 | G | 30.8 | Very low | 41.2 | Very low | 54 Ų | 54 | 125.7 Ų | 125.7 | 56% | 0.557 | 73% | 0.733 | S | S | * | * | trans | -82.1 | 155.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 80 | P | 38.5 | Very low | 42 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | -98.8 | 127.7 | 60.6 | 30.4 | -31.1 | 0 | 0 | 0 | 111.5 | D82 | P80-D82 PolarHBondContact O-N 3.3Š| |||
| 81 | E | 52.8 | Low | 42.9 | Very low | 168 Ų | 168 | 122.5 Ų | 122.5 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -40.5 | 119.4 | 144.7 | -55.8 | -86.9 | 101.9 | 0 | 0 | 107.9 | ||||
| 82 | D | 39.3 | Very low | 44 | Very low | 171 Ų | 171 | 117.5 Ų | 117.5 | 91% | 0.914 | 68% | 0.675 | S | S | * | * | trans | 163.2 | 101 | 143 | -84.7 | -44.3 | 0 | 0 | 0 | 108.8 | P80 | P80-D82 PolarHBondContact O-N 3.3Š| ||
| 83 | G | 34.9 | Very low | 45.1 | Very low | 69 Ų | 69 | 117.7 Ų | 117.7 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | trans | 146.7 | 121.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 84 | P | 51.5 | Low | 46.2 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 79% | 0.786 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -73.8 | 147.7 | -179.9 | 33 | -32.4 | 0 | 0 | 0 | 110.5 | ||
| 85 | E | 44.9 | Very low | 46.9 | Very low | 159 Ų | 159 | 110.8 Ų | 110.8 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | trans | 81.1 | 93.1 | 167.5 | -56.2 | -68.7 | 103.4 | 0 | 0 | 117.8 | L87 | E85-L87 PolarHBondContact O-N 2.88Š| ||
| 86 | P | 46.1 | Very low | 47.7 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | trans | -74.3 | 82.3 | 159.3 | 31.1 | -28.6 | 0 | 0 | 0 | 108.7 | L88 | P86-L88 PolarHBondContact O-N 3.48Š| ||
| 87 | L | 54.5 | Low | 48.3 | Very low | 150 Ų | 150 | 119.2 Ų | 119.2 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -58.7 | 94.2 | 171 | -161.7 | 149.5 | 0 | 0 | 0 | 108.7 | E85 G89 | E85-L87 PolarHBondContact O-N 2.88Å; L87-G89 PolarHBondContact O-N 2.59Å | ||
| 88 | L | 51.1 | Low | 49.2 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 48% | 0.476 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 41.6 | -48.5 | 170.6 | -86.1 | 155.3 | 0 | 0 | 0 | 119.2 | P86 G90 R91 L92 | P86-L88 PolarHBondContact O-N 3.48Å; L88-G90 PolarHBondContact O-N 3.44Å; L88-R91 PolarHBondContact O-N 3.34Å; L88-L92 PolarHBondContact O-N 3.42Å |
| 89 | G | 50 | Low | 49.9 | Very low | 45 Ų | 45 | 106.9 Ų | 106.9 | 46% | 0.464 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.7 | -33.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L87 R91 L92 L93 | L87-G89 PolarHBondContact O-N 2.59Å; G89-R91 VanDerWaalsContact C-N 3.29Å; G89-R91 PolarHBondContact O-N 2.93Å; G89-L92 PolarHBondContact O-N 2.86Å; G89-L93 PolarHBondContact O-N 3.28Å |
| 90 | G | 54.6 | Low | 50.7 | Low | 36 Ų | 36 | 113.5 Ų | 113.5 | 37% | 0.371 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.3 | -35.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L88 L94 | L88-G90 PolarHBondContact O-N 3.44Å; G90-L94 WeakPolarHBondContact O-CG 3.08Å; G90-L94 PolarHBondContact O-N 3.25Å |
| 91 | R | 55.5 | Low | 51.3 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 54% | 0.54 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.7 | -37.9 | -178.8 | -134.4 | 159.4 | 70.1 | 172.3 | 3.1 | 112.1 | L88 G89 L93 L94 M95 | L88-R91 PolarHBondContact O-N 3.34Å; G89-R91 VanDerWaalsContact C-N 3.29Å; G89-R91 PolarHBondContact O-N 2.93Å; R91-L93 VanDerWaalsContact C-N 3.34Å; R91-L94 PolarHBondContact O-N 3.05Å; R91-M95 WeakPolarHBondContact O-CG 3.43Å; R91-M95 PolarHBondContact O-N 3.21Å |
| 92 | L | 57 | Low | 50.8 | Low | 79 Ų | 79 | 109 Ų | 109 | 41% | 0.414 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -37.2 | 173.2 | -69.4 | 170.2 | 0 | 0 | 0 | 112.1 | L88 G89 L94 M95 R96 | L88-L92 PolarHBondContact O-N 3.42Å; G89-L92 PolarHBondContact O-N 2.86Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L92-M95 HydrophobicContact CD2-SD 4.33Å; L92-M95 PolarHBondContact O-N 3.4Å; L92-R96 WeakPolarHBondContact O-CB 3.44Å; L92-R96 PolarHBondContact O-N 3.48Å |
| 93 | L | 59.9 | Low | 51.2 | Low | 117 Ų | 117 | 102.8 Ų | 102.8 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64 | -41.4 | 175.5 | -173.1 | 65.8 | 0 | 0 | 0 | 111.4 | G89 R91 R96 R97 | G89-L93 PolarHBondContact O-N 3.28Å; R91-L93 VanDerWaalsContact C-N 3.34Å; L93-R96 PolarHBondContact O-N 3.43Å; L93-R97 WeakPolarHBondContact O-CB 3.41Å; L93-R97 PolarHBondContact O-N 3.14Å |
| 94 | L | 60.1 | Low | 51.7 | Low | 117 Ų | 117 | 104.2 Ų | 104.2 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.8 | -43.3 | 173.8 | -69.4 | 169.8 | 0 | 0 | 0 | 111.8 | G90 R91 L92 R97 A98 | G90-L94 WeakPolarHBondContact O-CG 3.08Å; G90-L94 PolarHBondContact O-N 3.25Å; R91-L94 PolarHBondContact O-N 3.05Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L94-R97 PolarHBondContact O-N 3.06Å; L94-A98 WeakPolarHBondContact O-CB 3.32Å; L94-A98 PolarHBondContact O-N 2.99Å |
| 95 | M | 54.4 | Low | 51.6 | Low | 51 Ų | 51 | 101.2 Ų | 101.2 | 25% | 0.251 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.3 | -42.9 | 175.8 | -69.7 | 174.2 | 175.6 | 0 | 0 | 112.1 | R91 L92 R97 A98 L99 L108 | R91-M95 WeakPolarHBondContact O-CG 3.43Å; R91-M95 PolarHBondContact O-N 3.21Å; L92-M95 HydrophobicContact CD2-SD 4.33Å; L92-M95 PolarHBondContact O-N 3.4Å; M95-R97 VanDerWaalsContact C-N 3.32Å; M95-R97 PolarHBondContact O-N 2.79Å; M95-A98 PolarHBondContact O-N 3.48Å; M95-L99 WeakPolarHBondContact O-CB 3.26Å; M95-L99 PolarHBondContact O-N 3.48Å; M95-L108 HydrophobicContact CE-CD1 3.82Å |
| 96 | R | 53.4 | Low | 52 | Low | 190 Ų | 190 | 96 Ų | 96 | 72% | 0.717 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.3 | -34.3 | 178.1 | -160.3 | 171.7 | -173 | 176.5 | 1.8 | 111.8 | L92 L93 L99 F100 | L92-R96 WeakPolarHBondContact O-CB 3.44Å; L92-R96 PolarHBondContact O-N 3.48Å; L93-R96 PolarHBondContact O-N 3.43Å; R96-L99 WeakPolarHBondContact O-CB 3.45Å; R96-F100 WeakPolarHBondContact O-CB 3.35Å; R96-F100 PolarHBondContact O-N 3.35Å |
| 97 | R | 50.8 | Low | 52.5 | Low | 169 Ų | 169 | 94.4 Ų | 94.4 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 174.9 | -137.1 | 173.4 | -168.9 | 179.9 | 2.2 | 111.8 | L93 L94 M95 F100 L101 | L93-R97 WeakPolarHBondContact O-CB 3.41Å; L93-R97 PolarHBondContact O-N 3.14Å; L94-R97 PolarHBondContact O-N 3.06Å; M95-R97 VanDerWaalsContact C-N 3.32Å; M95-R97 PolarHBondContact O-N 2.79Å; R97-F100 PolarHBondContact O-N 2.9Å; R97-L101 WeakPolarHBondContact O-CD1 3.46Å; R97-L101 PolarHBondContact O-N 2.94Å |
| 98 | A | 54.1 | Low | 52.8 | Low | 39 Ų | 39 | 88.4 Ų | 88.4 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L94 M95 F100 L101 A103 L106 | L94-A98 WeakPolarHBondContact O-CB 3.32Å; L94-A98 PolarHBondContact O-N 2.99Å; M95-A98 PolarHBondContact O-N 3.48Å; A98-F100 VanDerWaalsContact C-N 3.34Å; A98-L101 PolarHBondContact O-N 2.94Å; A98-A103 VanDerWaalsContact O-CB 3.3Å; A98-A103 WeakPolarHBondContact O-CB 3.36Å; A98-A103 PolarHBondContact O-N 3.35Å; A98-L106 HydrophobicContact CB-CD2 4.35Å |
| 99 | L | 53.4 | Low | 52.8 | Low | 34 Ų | 34 | 87.5 Ų | 87.5 | 18% | 0.178 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 172.8 | -171 | 67.2 | 0 | 0 | 0 | 112.3 | M95 R96 L101 G102 L106 R127 | M95-L99 WeakPolarHBondContact O-CB 3.26Å; M95-L99 PolarHBondContact O-N 3.48Å; R96-L99 WeakPolarHBondContact O-CB 3.45Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 3.4Å; L99-G102 PolarHBondContact O-N 3.25Å; L99-L106 HydrophobicContact CB-CD1 4.38Å; L99-L106 HydrophobicContact CD1-CD1 3.98Å; L99-R127 VanDerWaalsContact CD1-NH1 3.34Å |
| 100 | F | 47.1 | Very low | 53 | Low | 192 Ų | 192 | 87.1 Ų | 87.1 | 84% | 0.842 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.2 | -25 | 178.1 | -144.7 | -92.5 | 0 | 0 | 0 | 112.6 | R96 R97 A98 G102 | R96-F100 WeakPolarHBondContact O-CB 3.35Å; R96-F100 PolarHBondContact O-N 3.35Å; R97-F100 PolarHBondContact O-N 2.9Å; A98-F100 VanDerWaalsContact C-N 3.34Å; F100-G102 PolarHBondContact O-N 3.3Å |
| 101 | L | 52.5 | Low | 52.4 | Low | 148 Ų | 148 | 92.7 Ų | 92.7 | 78% | 0.775 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 3.8 | 175.9 | -108.7 | 102.3 | 0 | 0 | 0 | 114.4 | R97 A98 L99 | R97-L101 WeakPolarHBondContact O-CD1 3.46Å; R97-L101 PolarHBondContact O-N 2.94Å; A98-L101 PolarHBondContact O-N 2.94Å; L99-L101 VanDerWaalsContact C-N 3.29Å; L99-L101 PolarHBondContact O-N 3.4Å |
| 102 | G | 41.2 | Very low | 52 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | 20.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L99 F100 S104 | L99-G102 PolarHBondContact O-N 3.25Å; F100-G102 PolarHBondContact O-N 3.3Å; G102-S104 VanDerWaalsContact C-N 3.34Å; G102-S104 PolarHBondContact O-N 3.47Å |
| 103 | A | 49.2 | Very low | 51.3 | Low | 41 Ų | 41 | 92.9 Ų | 92.9 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | trans | -68.7 | 92.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A98 A105 | A98-A103 VanDerWaalsContact O-CB 3.3Å; A98-A103 WeakPolarHBondContact O-CB 3.36Å; A98-A103 PolarHBondContact O-N 3.35Å; A103-A105 PolarHBondContact O-N 2.94Å; A103-A105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | S | 43.9 | Very low | 50.6 | Low | 98 Ų | 98 | 90 Ų | 90 | 69% | 0.685 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -66.1 | -9.2 | -177.5 | -57.7 | 0 | 0 | 0 | 0 | 114.5 | G102 | G102-S104 VanDerWaalsContact C-N 3.34Å; G102-S104 PolarHBondContact O-N 3.47Å |
| 105 | A | 48.9 | Very low | 50 | Low | 59 Ų | 59 | 85.3 Ų | 85.3 | 49% | 0.488 | 46% | 0.456 | S | S | . | . | trans | -140.3 | 115.1 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | A103 | A103-A105 PolarHBondContact O-N 2.94Å; A103-A105 VanDerWaalsContact O-N 3.14Å | ||
| 106 | L | 54.9 | Low | 49.7 | Very low | 49 Ų | 49 | 85.1 Ų | 85.1 | 26% | 0.257 | 46% | 0.458 | S | S | . | . | trans | -89.5 | 108.3 | 168.9 | -74.5 | 171.6 | 0 | 0 | 0 | 107.6 | A98 L99 L108 | A98-L106 HydrophobicContact CB-CD2 4.35Å; L99-L106 HydrophobicContact CB-CD1 4.38Å; L99-L106 HydrophobicContact CD1-CD1 3.98Å; L106-L108 PolarHBondContact O-N 2.94Å | ||
| 107 | L | 56.5 | Low | 49.5 | Very low | 80 Ų | 80 | 86.9 Ų | 86.9 | 42% | 0.419 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 98.5 | 173.5 | -147.9 | 82.4 | 0 | 0 | 0 | 108.2 | L109 I130 L132 L141 | L107-L109 PolarHBondContact O-N 3.33Å; L107-L109 VanDerWaalsContact O-N 3.16Å; L107-I130 HydrophobicContact CD1-CB 3.93Å; L107-I130 HydrophobicContact CD1-CD1 4.16Å; L107-I130 HydrophobicContact CD1-CG1 4.43Å; L107-L132 HydrophobicContact CD1-CD1 4.03Å; L107-L132 HydrophobicContact CD2-CD1 4.44Å; L107-L132 HydrophobicContact CG-CD1 4.11Å; L107-L141 HydrophobicContact CD1-CD2 3.8Å; L107-L141 HydrophobicContact CD2-CD2 4.17Å |
| 108 | L | 60 | Low | 49.5 | Very low | 24 Ų | 24 | 84.9 Ų | 84.9 | 13% | 0.126 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 93.4 | 179.9 | -167.3 | 69.6 | 0 | 0 | 0 | 108.5 | M95 L106 I110 V116 L119 V129 I130 L132 | M95-L108 HydrophobicContact CE-CD1 3.82Å; L106-L108 PolarHBondContact O-N 2.94Å; L108-I110 PolarHBondContact O-N 3.21Å; L108-V116 HydrophobicContact CD2-CG2 4.1Å; L108-L119 HydrophobicContact CD2-CD1 4.24Å; L108-V129 HydrophobicContact CB-CG1 4.05Å; L108-I130 PolarHBondContact N-O 3.35Å; L108-I130 VanDerWaalsContact N-O 3.11Å; L108-L132 PolarHBondContact O-N 3.26Å |
| 109 | L | 51.8 | Low | 49.4 | Very low | 72 Ų | 72 | 84.7 Ų | 84.7 | 38% | 0.377 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115.2 | 176.9 | -166.3 | 65.5 | 0 | 0 | 0 | 109 | L107 L111 L132 Y134 V138 | L107-L109 PolarHBondContact O-N 3.33Å; L107-L109 VanDerWaalsContact O-N 3.16Å; L109-L111 PolarHBondContact O-N 3.19Å; L109-L132 HydrophobicContact CD1-CB 4.18Å; L109-Y134 HydrophobicContact CD1-CD2 4.37Å; L109-Y134 HydrophobicContact CD1-CE2 4.02Å; L109-Y134 HydrophobicContact CD2-CE2 3.95Å; L109-Y134 HydrophobicContact CG-CE2 3.91Å; L109-V138 HydrophobicContact CD1-CB 4.42Å; L109-V138 HydrophobicContact CD1-CG1 3.78Å; L109-V138 HydrophobicContact CD1-CG2 3.71Å |
| 110 | I | 54.2 | Low | 49.2 | Very low | 37 Ų | 37 | 87.5 Ų | 87.5 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | trans | -63.5 | 115.8 | -170.4 | -65 | 176.9 | 0 | 0 | 0 | 110.5 | L108 V131 L132 H133 | L108-I110 PolarHBondContact O-N 3.21Å; I110-V131 HydrophobicContact CD1-CB 4.47Å; I110-V131 HydrophobicContact CD1-CG1 3.27Å; I110-V131 HydrophobicContact CG1-CG1 3.56Å; I110-L132 WeakPolarHBondContact CB-O 3.16Å; I110-L132 VanDerWaalsContact CD1-O 3.29Å; I110-L132 WeakPolarHBondContact CD1-O 3.49Å; I110-L132 WeakPolarHBondContact CG1-O 3.4Å; I110-L132 PolarHBondContact N-O 3.36Å; I110-H133 VanDerWaalsContact CD1-CA 3.43Å; I110-H133 HydrophobicContact CD1-CB 3.65Å; I110-H133 VanDerWaalsContact CD1-N 3.28Å | ||
| 111 | L | 41.6 | Very low | 49.3 | Very low | 152 Ų | 152 | 83.6 Ų | 83.6 | 80% | 0.796 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -126.2 | -3.5 | 160.6 | -100 | 148.9 | 0 | 0 | 0 | 113 | L109 | L109-L111 PolarHBondContact O-N 3.19Š|
| 112 | N | 46 | Very low | 48.9 | Very low | 77 Ų | 77 | 80.2 Ų | 80.2 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | trans | -162.1 | 120.9 | 173.7 | -154.1 | -22.1 | 0 | 0 | 0 | 112.3 | S114 V115 | N112-S114 PolarHBondContact O-N 3.39Å; N112-S114 VanDerWaalsContact O-N 3.13Å; N112-S114 WeakPolarHBondContact OD1-CB 3.39Å; N112-S114 PolarHBondContact OD1-N 2.86Å; N112-S114 VanDerWaalsContact OD1-N 3.11Å; N112-S114 PolarHBondContact OD1-OG 3.46Å; N112-V115 HydrophobicContact CB-CG2 4.09Å; N112-V115 PolarHBondContact O-N 2.95Å; N112-V115 VanDerWaalsContact O-N 3.07Å | ||
| 113 | H | 42.9 | Very low | 49.4 | Very low | 149 Ų | 149 | 83.2 Ų | 83.2 | 69% | 0.69 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -56.6 | -24.1 | 170.9 | 80.6 | -62 | 0 | 0 | 0 | 112.5 | V115 R117 | H113-V115 VanDerWaalsContact C-N 3.32Å; H113-V115 PolarHBondContact O-N 2.79Å; H113-R117 PolarHBondContact O-N 2.86Å |
| 114 | S | 45 | Very low | 49.5 | Very low | 56 Ų | 56 | 84.1 Ų | 84.1 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66 | -32 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | N112 E118 | N112-S114 PolarHBondContact O-N 3.39Å; N112-S114 VanDerWaalsContact O-N 3.13Å; N112-S114 WeakPolarHBondContact OD1-CB 3.39Å; N112-S114 PolarHBondContact OD1-N 2.86Å; N112-S114 VanDerWaalsContact OD1-N 3.11Å; N112-S114 PolarHBondContact OD1-OG 3.46Å; S114-E118 PolarHBondContact O-N 3.3Å |
| 115 | V | 47.7 | Very low | 49.6 | Very low | 19 Ų | 19 | 86.4 Ų | 86.4 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -81.4 | -30.8 | -178.3 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | N112 H113 R117 E118 L119 | N112-V115 HydrophobicContact CB-CG2 4.09Å; N112-V115 PolarHBondContact O-N 2.95Å; N112-V115 VanDerWaalsContact O-N 3.07Å; H113-V115 VanDerWaalsContact C-N 3.32Å; H113-V115 PolarHBondContact O-N 2.79Å; V115-R117 VanDerWaalsContact C-N 3.28Å; V115-R117 PolarHBondContact O-N 3.25Å; V115-E118 PolarHBondContact O-N 3.38Å; V115-L119 WeakPolarHBondContact O-CB 3.45Å; V115-L119 PolarHBondContact O-N 3.27Å |
| 116 | V | 47.7 | Very low | 49.4 | Very low | 47 Ų | 47 | 90.9 Ų | 90.9 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.1 | -32.9 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | L108 E118 V131 | L108-V116 HydrophobicContact CD2-CG2 4.1Å; V116-E118 VanDerWaalsContact C-N 3.35Å; V116-V131 HydrophobicContact CG2-CG1 4.12Å |
| 117 | R | 51 | Low | 49.2 | Very low | 228 Ų | 228 | 95 Ų | 95 | 86% | 0.86 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -75.8 | -26.4 | 178.2 | -148.1 | -179.5 | -160 | -162 | 4.4 | 112.9 | H113 V115 | H113-R117 PolarHBondContact O-N 2.86Å; V115-R117 VanDerWaalsContact C-N 3.28Å; V115-R117 PolarHBondContact O-N 3.25Å |
| 118 | E | 48.9 | Very low | 48.6 | Very low | 126 Ų | 126 | 95.1 Ų | 95.1 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -87.3 | -24.2 | 179.6 | -156.5 | 171.3 | -174.2 | 0 | 0 | 112.2 | S114 V115 V116 D120 | S114-E118 PolarHBondContact O-N 3.3Å; V115-E118 PolarHBondContact O-N 3.38Å; V116-E118 VanDerWaalsContact C-N 3.35Å; E118-D120 PolarHBondContact O-N 3Å |
| 119 | L | 52.5 | Low | 48.1 | Very low | 35 Ų | 35 | 95 Ų | 95 | 18% | 0.183 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -79.5 | 74.3 | 172 | -144.1 | 142.7 | 0 | 0 | 0 | 108.9 | L108 V115 V121 | L108-L119 HydrophobicContact CD2-CD1 4.24Å; V115-L119 WeakPolarHBondContact O-CB 3.45Å; V115-L119 PolarHBondContact O-N 3.27Å; L119-V121 PolarHBondContact O-N 3.26Å |
| 120 | D | 49.3 | Very low | 48.2 | Very low | 94 Ų | 94 | 95.3 Ų | 95.3 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | trans | -21.7 | 123.2 | 178 | -154.6 | -78.6 | 0 | 0 | 0 | 114.1 | E118 S122 Q123 | E118-D120 PolarHBondContact O-N 3Å; D120-S122 PolarHBondContact O-N 3.4Å; D120-S122 WeakPolarHBondContact OD1-CB 3.43Å; D120-S122 PolarHBondContact OD1-N 3.4Å; D120-S122 PolarHBondContact OD1-OG 3.32Å; D120-Q123 PolarHBondContact O-N 3.5Å | ||
| 121 | V | 49.3 | Very low | 48.1 | Very low | 109 Ų | 109 | 96.2 Ų | 96.2 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -50.3 | -26.8 | -175.5 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | L119 Q123 L124 L125 | L119-V121 PolarHBondContact O-N 3.26Å; V121-Q123 PolarHBondContact O-N 2.99Å; V121-L124 PolarHBondContact O-N 3.09Å; V121-L125 HydrophobicContact CG1-CD1 4.45Å |
| 122 | S | 44.3 | Very low | 48.6 | Very low | 77 Ų | 77 | 89.7 Ų | 89.7 | 54% | 0.538 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.2 | -26.6 | 176.5 | -61.7 | 0 | 0 | 0 | 0 | 114.5 | D120 | D120-S122 PolarHBondContact O-N 3.4Å; D120-S122 WeakPolarHBondContact OD1-CB 3.43Å; D120-S122 PolarHBondContact OD1-N 3.4Å; D120-S122 PolarHBondContact OD1-OG 3.32Å |
| 123 | Q | 51 | Low | 48.4 | Very low | 118 Ų | 118 | 92.8 Ų | 92.8 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -86.4 | -22.8 | 176.1 | -66.8 | -158.8 | 47.3 | 0 | 0 | 113.4 | D120 V121 L125 | D120-Q123 PolarHBondContact O-N 3.5Å; V121-Q123 PolarHBondContact O-N 2.99Å; Q123-L125 VanDerWaalsContact C-N 3.28Å |
| 124 | L | 51 | Low | 48.6 | Very low | 61 Ų | 61 | 92.4 Ų | 92.4 | 32% | 0.319 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.8 | -24.3 | 173.1 | -110.4 | 151.1 | 0 | 0 | 0 | 112.8 | V121 V129 | V121-L124 PolarHBondContact O-N 3.09Å; L124-V129 HydrophobicContact CD2-CB 3.8Å; L124-V129 HydrophobicContact CD2-CG1 4.39Å; L124-V129 HydrophobicContact CG-CB 4.09Å |
| 125 | L | 47.6 | Very low | 48.4 | Very low | 145 Ų | 145 | 94.5 Ų | 94.5 | 76% | 0.759 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -23.3 | -178.7 | -77.9 | 160.1 | 0 | 0 | 0 | 113.9 | V121 Q123 | V121-L125 HydrophobicContact CG1-CD1 4.45Å; Q123-L125 VanDerWaalsContact C-N 3.28Å |
| 126 | L | 44.9 | Very low | 48.6 | Very low | 153 Ų | 153 | 96.9 Ų | 96.9 | 80% | 0.801 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -21.6 | -174.7 | -93 | 153.7 | 0 | 0 | 0 | 113.6 | ||
| 127 | R | 49.5 | Very low | 48.7 | Very low | 135 Ų | 135 | 99.2 Ų | 99.2 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | 137.5 | 177.4 | -70.7 | 174.1 | 174.5 | 159.7 | -6.9 | 109.3 | L99 V129 | L99-R127 VanDerWaalsContact CD1-NH1 3.34Å; R127-V129 PolarHBondContact O-N 3.15Å |
| 128 | P | 43.7 | Very low | 48.6 | Very low | 84 Ų | 84 | 89.6 Ų | 89.6 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 99.1 | -173.9 | 27.4 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 129 | V | 51 | Low | 48.6 | Very low | 20 Ų | 20 | 88 Ų | 88 | 12% | 0.121 | 47% | 0.474 | C | S | . | . | trans | -95.4 | 103.8 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | L108 L124 R127 V131 | L108-V129 HydrophobicContact CB-CG1 4.05Å; L124-V129 HydrophobicContact CD2-CB 3.8Å; L124-V129 HydrophobicContact CD2-CG1 4.39Å; L124-V129 HydrophobicContact CG-CB 4.09Å; R127-V129 PolarHBondContact O-N 3.15Å; V129-V131 HydrophobicContact CG1-CG2 4.39Å | ||
| 130 | I | 52.1 | Low | 48.7 | Very low | 80 Ų | 80 | 93 Ų | 93 | 41% | 0.41 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.5 | -179.3 | -46.6 | 176.6 | 0 | 0 | 0 | 108.3 | L107 L108 L132 | L107-I130 HydrophobicContact CD1-CB 3.93Å; L107-I130 HydrophobicContact CD1-CD1 4.16Å; L107-I130 HydrophobicContact CD1-CG1 4.43Å; L108-I130 PolarHBondContact N-O 3.35Å; L108-I130 VanDerWaalsContact N-O 3.11Å; I130-L132 HydrophobicContact CB-CD1 4.07Å; I130-L132 HydrophobicContact CG2-CD1 3.42Å; I130-L132 VanDerWaalsContact CG2-CD1 3.42Å |
| 131 | V | 53.7 | Low | 48.9 | Very low | 56 Ų | 56 | 91.2 Ų | 91.2 | 34% | 0.339 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 104.3 | -177.6 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | I110 V116 V129 | I110-V131 HydrophobicContact CD1-CB 4.47Å; I110-V131 HydrophobicContact CD1-CG1 3.27Å; I110-V131 HydrophobicContact CG1-CG1 3.56Å; V116-V131 HydrophobicContact CG2-CG1 4.12Å; V129-V131 HydrophobicContact CG1-CG2 4.39Å |
| 132 | L | 50.4 | Low | 49.3 | Very low | 14 Ų | 14 | 90.6 Ų | 90.6 | 7% | 0.073 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 115.4 | -175.8 | -91.8 | 87.3 | 0 | 0 | 0 | 112.5 | L107 L108 L109 I110 I130 V138 L141 | L107-L132 HydrophobicContact CD1-CD1 4.03Å; L107-L132 HydrophobicContact CD2-CD1 4.44Å; L107-L132 HydrophobicContact CG-CD1 4.11Å; L108-L132 PolarHBondContact O-N 3.26Å; L109-L132 HydrophobicContact CD1-CB 4.18Å; I110-L132 WeakPolarHBondContact CB-O 3.16Å; I110-L132 VanDerWaalsContact CD1-O 3.29Å; I110-L132 WeakPolarHBondContact CD1-O 3.49Å; I110-L132 WeakPolarHBondContact CG1-O 3.4Å; I110-L132 PolarHBondContact N-O 3.36Å; I130-L132 HydrophobicContact CB-CD1 4.07Å; I130-L132 HydrophobicContact CG2-CD1 3.42Å; I130-L132 VanDerWaalsContact CG2-CD1 3.42Å; L132-V138 HydrophobicContact CD2-CG2 4.28Å; L132-L141 HydrophobicContact CD1-CD2 3.61Å; L132-L141 HydrophobicContact CD2-CB 3.88Å; L132-L141 HydrophobicContact CD2-CD2 3.64Å; L132-L141 HydrophobicContact CD2-CG 4.34Å; L132-L141 HydrophobicContact CG-CD2 4.21Å |
| 133 | H | 43 | Very low | 49.9 | Very low | 142 Ų | 142 | 92.3 Ų | 92.3 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | trans | -86.1 | 120.6 | 176.1 | -158.9 | -90.2 | 0 | 0 | 0 | 110.3 | I110 | I110-H133 VanDerWaalsContact CD1-CA 3.43Å; I110-H133 HydrophobicContact CD1-CB 3.65Å; I110-H133 VanDerWaalsContact CD1-N 3.28Å | ||
| 134 | Y | 46.1 | Very low | 50.3 | Low | 142 Ų | 142 | 89.8 Ų | 89.8 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -51.4 | 140.1 | 176.8 | -105.8 | -101.5 | 0 | 0 | 0 | 110.3 | L109 V138 | L109-Y134 HydrophobicContact CD1-CD2 4.37Å; L109-Y134 HydrophobicContact CD1-CE2 4.02Å; L109-Y134 HydrophobicContact CD2-CE2 3.95Å; L109-Y134 HydrophobicContact CG-CE2 3.91Å; Y134-V138 HydrophobicContact CD2-CG2 4.22Å; Y134-V138 HydrophobicContact CE2-CG2 4.39Å; Y134-V138 HydrophobicContact CG-CG2 4.48Å |
| 135 | S | 42.2 | Very low | 50.5 | Low | 99 Ų | 99 | 91.9 Ų | 91.9 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | S | Bend | cis | -141.9 | -7.4 | 36.9 | 52.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 136 | S | 50.8 | Low | 50.8 | Low | 69 Ų | 69 | 91.2 Ų | 91.2 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -108.5 | -19 | -173.5 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 137 | N | 49.6 | Very low | 51.2 | Low | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -90.4 | -18.4 | -177 | -75.1 | -50.3 | 0 | 0 | 0 | 113 | L141 | N137-L141 VanDerWaalsContact O-CB 3.25Å; N137-L141 WeakPolarHBondContact O-CB 3.41Å; N137-L141 PolarHBondContact O-N 3.37Å |
| 138 | V | 50.2 | Low | 50.8 | Low | 27 Ų | 27 | 98.5 Ų | 98.5 | 16% | 0.164 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69.2 | -45.9 | -178.3 | -174.8 | 0 | 0 | 0 | 0 | 111 | L109 L132 Y134 L142 | L109-V138 HydrophobicContact CD1-CB 4.42Å; L109-V138 HydrophobicContact CD1-CG1 3.78Å; L109-V138 HydrophobicContact CD1-CG2 3.71Å; L132-V138 HydrophobicContact CD2-CG2 4.28Å; Y134-V138 HydrophobicContact CD2-CG2 4.22Å; Y134-V138 HydrophobicContact CE2-CG2 4.39Å; Y134-V138 HydrophobicContact CG-CG2 4.48Å; V138-L142 WeakPolarHBondContact O-CB 3.49Å; V138-L142 PolarHBondContact O-N 2.73Å |
| 139 | T | 47.6 | Very low | 51.2 | Low | 93 Ų | 93 | 99.3 Ų | 99.3 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 177.3 | 37.7 | 0 | 0 | 0 | 0 | 111.4 | L142 E143 | T139-L142 PolarHBondContact O-N 2.93Å; T139-E143 WeakPolarHBondContact O-CB 3.3Å; T139-E143 PolarHBondContact O-N 3.02Å |
| 140 | K | 55.2 | Low | 51.2 | Low | 138 Ų | 138 | 103.4 Ų | 103.4 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 179.7 | -68.3 | -177.1 | 178 | -179.1 | 0 | 113.4 | A144 | K140-A144 VanDerWaalsContact O-CB 3.23Å; K140-A144 WeakPolarHBondContact O-CB 3.47Å; K140-A144 PolarHBondContact O-N 3.27Å |
| 141 | L | 53.4 | Low | 51.2 | Low | 58 Ų | 58 | 104.7 Ų | 104.7 | 30% | 0.304 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.7 | -39.8 | 177.3 | -166.4 | 92.5 | 0 | 0 | 0 | 111.1 | L107 L132 N137 E143 A144 L145 | L107-L141 HydrophobicContact CD1-CD2 3.8Å; L107-L141 HydrophobicContact CD2-CD2 4.17Å; L132-L141 HydrophobicContact CD1-CD2 3.61Å; L132-L141 HydrophobicContact CD2-CB 3.88Å; L132-L141 HydrophobicContact CD2-CD2 3.64Å; L132-L141 HydrophobicContact CD2-CG 4.34Å; L132-L141 HydrophobicContact CG-CD2 4.21Å; N137-L141 VanDerWaalsContact O-CB 3.25Å; N137-L141 WeakPolarHBondContact O-CB 3.41Å; N137-L141 PolarHBondContact O-N 3.37Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-A144 PolarHBondContact O-N 2.92Å; L141-L145 HydrophobicContact CD2-CD1 4.21Å; L141-L145 HydrophobicContact CG-CD1 4.32Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 PolarHBondContact O-N 3.29Å |
| 142 | L | 57.1 | Low | 51 | Low | 96 Ų | 96 | 107.6 Ų | 107.6 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 175.2 | -177 | 61.8 | 0 | 0 | 0 | 110.2 | V138 T139 A144 L145 L146 | V138-L142 WeakPolarHBondContact O-CB 3.49Å; V138-L142 PolarHBondContact O-N 2.73Å; T139-L142 PolarHBondContact O-N 2.93Å; L142-A144 PolarHBondContact O-N 2.83Å; L142-L145 PolarHBondContact O-N 2.91Å; L142-L146 HydrophobicContact CD1-CD1 4Å; L142-L146 HydrophobicContact CG-CD1 4.14Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 PolarHBondContact O-N 3.07Å |
| 143 | E | 58.4 | Low | 51.1 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 53% | 0.528 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.4 | -43.1 | 176 | -167.9 | 169.9 | -151.6 | 0 | 0 | 111.5 | T139 L141 L145 L146 Q147 | T139-E143 WeakPolarHBondContact O-CB 3.3Å; T139-E143 PolarHBondContact O-N 3.02Å; L141-E143 VanDerWaalsContact C-N 3.34Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 3.24Å; E143-L146 PolarHBondContact O-N 2.78Å; E143-Q147 VanDerWaalsContact O-CB 3.26Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 WeakPolarHBondContact O-CG 3.41Å; E143-Q147 PolarHBondContact O-N 3.19Å |
| 144 | A | 58 | Low | 51.6 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -30.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | K140 L141 L142 | K140-A144 VanDerWaalsContact O-CB 3.23Å; K140-A144 WeakPolarHBondContact O-CB 3.47Å; K140-A144 PolarHBondContact O-N 3.27Å; L141-A144 PolarHBondContact O-N 2.92Å; L142-A144 PolarHBondContact O-N 2.83Å |
| 145 | L | 56.1 | Low | 52 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 55% | 0.55 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -81.8 | -31.2 | 175.5 | -88.1 | 164.7 | 0 | 0 | 0 | 112.9 | L141 L142 E143 | L141-L145 HydrophobicContact CD2-CD1 4.21Å; L141-L145 HydrophobicContact CG-CD1 4.32Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 PolarHBondContact O-N 3.29Å; L142-L145 PolarHBondContact O-N 2.91Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 3.24Å |
| 146 | L | 53.1 | Low | 52.7 | Low | 130 Ų | 130 | 110.2 Ų | 110.2 | 68% | 0.681 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -85.4 | -17.5 | 179.1 | -120.5 | 144.2 | 0 | 0 | 0 | 113.2 | L142 E143 R148 | L142-L146 HydrophobicContact CD1-CD1 4Å; L142-L146 HydrophobicContact CG-CD1 4.14Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 PolarHBondContact O-N 3.07Å; E143-L146 PolarHBondContact O-N 2.78Å; L146-R148 PolarHBondContact O-N 3.12Å |
| 147 | Q | 54.2 | Low | 52.9 | Low | 157 Ų | 157 | 113.6 Ų | 113.6 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 9.5 | 173.2 | -84.8 | -177.1 | -41.3 | 0 | 0 | 114.1 | E143 | E143-Q147 VanDerWaalsContact O-CB 3.26Å; E143-Q147 WeakPolarHBondContact O-CB 3.49Å; E143-Q147 WeakPolarHBondContact O-CG 3.41Å; E143-Q147 PolarHBondContact O-N 3.19Å |
| 148 | R | 41.9 | Very low | 53.2 | Low | 285 Ų | 285 | 115.2 Ų | 115.2 | 100% | 1.075 | 57% | 0.568 | S | S | * | * | trans | -110 | 0 | 168.6 | -169.6 | 178.6 | -170.5 | 171.6 | 4.2 | 110.3 | L146 | L146-R148 PolarHBondContact O-N 3.12Š|
Retrieved 148 of 148 residues in 133.8 ms
(Link to these results)