| 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 | 39.2 | Very low | 45.5 | Very low | 239 Ų | 239 | 162.2 Ų | 162.2 | 100% | 1.177 | 87% | 0.865 | S | S | * | * | 0 | 104.6 | 0 | -71.3 | 178.4 | -158 | 0 | 0 | 107.1 | |||||
| 2 | A | 39.3 | Very low | 45.2 | Very low | 94 Ų | 94 | 158.6 Ų | 158.6 | 78% | 0.777 | 86% | 0.862 | S | S | * | * | 76.8 | 93.9 | 102.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | A | 43.1 | Very low | 45.4 | Very low | 98 Ų | 98 | 160.5 Ų | 160.5 | 81% | 0.81 | 86% | 0.862 | S | S | * | * | 67.9 | 95.5 | 83.9 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 4 | V | 47.9 | Very low | 45.2 | Very low | 130 Ų | 130 | 162.9 Ų | 162.9 | 79% | 0.788 | 87% | 0.865 | S | S | * | * | trans | -150.1 | 102.9 | 153.7 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | V | 52.3 | Low | 45 | Very low | 151 Ų | 151 | 157.7 Ų | 157.7 | 92% | 0.915 | 85% | 0.854 | S | S | * | * | trans | -137.7 | 122.4 | 143.6 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 6 | L | 51.7 | Low | 45.2 | Very low | 157 Ų | 157 | 160.3 Ų | 160.3 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | trans | -76.4 | 131.6 | -172.3 | -153.3 | 85.4 | 0 | 0 | 0 | 110.9 | ||||
| 7 | K | 48.8 | Very low | 45.1 | Very low | 182 Ų | 182 | 160.5 Ų | 160.5 | 79% | 0.791 | 86% | 0.855 | S | S | * | * | trans | -53.6 | 128.5 | 165 | 174.7 | -176.3 | -177.6 | 175.7 | 0 | 112.7 | ||||
| 8 | R | 43.8 | Very low | 45.4 | Very low | 239 Ų | 239 | 160.1 Ų | 160.1 | 90% | 0.902 | 85% | 0.852 | S | S | * | * | trans | -162.2 | 105.5 | 142.3 | -161.5 | 169.2 | -92 | 176.6 | -7 | 113.8 | ||||
| 9 | M | 49 | Very low | 45.3 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 85% | 0.852 | 85% | 0.854 | S | S | * | * | trans | 6.1 | 129.8 | 149.8 | -61.1 | 160.3 | 80.2 | 0 | 0 | 119.7 | ||||
| 10 | R | 41.6 | Very low | 45.7 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 94% | 0.94 | 85% | 0.848 | S | S | * | * | trans | -144.3 | 120.6 | 146.7 | -170.3 | 174.7 | 172.8 | -157 | -3 | 108.5 | ||||
| 11 | G | 43.4 | Very low | 46 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 85% | 0.847 | S | S | * | * | trans | -61.8 | 137.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 12 | S | 42.5 | Very low | 46.3 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -88 | 106.4 | 165 | 52.1 | 0 | 0 | 0 | 0 | 108.1 | Q14 | S12-Q14 PolarHBondContact O-N 3.32Š| ||
| 13 | E | 48.1 | Very low | 46.9 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -54.6 | 125.7 | 166.4 | -63.2 | -179.8 | 151 | 0 | 0 | 108.6 | A15 | E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 3.26Å | ||
| 14 | Q | 42.6 | Very low | 47.1 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -66 | 99.6 | 166.9 | -81 | -146 | 21.8 | 0 | 0 | 108.2 | S12 K16 | S12-Q14 PolarHBondContact O-N 3.32Å; Q14-K16 PolarHBondContact O-N 3.11Å | ||
| 15 | A | 41.2 | Very low | 47.1 | Very low | 85 Ų | 85 | 150.9 Ų | 150.9 | 70% | 0.702 | 83% | 0.828 | S | S | * | * | trans | -65.5 | 104.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | E13 L17 | E13-A15 VanDerWaalsContact C-N 3.34Å; E13-A15 PolarHBondContact O-N 3.26Å; A15-L17 PolarHBondContact O-N 2.92Å | ||
| 16 | K | 49.6 | Very low | 46.9 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -58.7 | 92 | 172.8 | -155.5 | 175.6 | -167.6 | -169 | 0 | 109.1 | Q14 L18 | Q14-K16 PolarHBondContact O-N 3.11Å; K16-L18 PolarHBondContact O-N 3.44Å | ||
| 17 | L | 42.3 | Very low | 46.9 | Very low | 164 Ų | 164 | 147 Ų | 147 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -83.6 | 106.7 | 170.8 | -72.7 | 177.3 | 0 | 0 | 0 | 109.2 | A15 | A15-L17 PolarHBondContact O-N 2.92Š| ||
| 18 | L | 50.7 | Low | 47.1 | Very low | 152 Ų | 152 | 141 Ų | 141 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -60.5 | 140.8 | 168.4 | -74.3 | 161 | 0 | 0 | 0 | 110.6 | K16 G20 | K16-L18 PolarHBondContact O-N 3.44Å; L18-G20 PolarHBondContact O-N 3.34Å | ||
| 19 | P | 43.9 | Very low | 47.7 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 86.6 | 169.5 | 32.3 | -29.1 | 0 | 0 | 0 | 108.6 | ||||
| 20 | G | 52.3 | Low | 48.2 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -120.5 | 88 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L18 | L18-G20 PolarHBondContact O-N 3.34Š| ||
| 21 | S | 53.1 | Low | 49.1 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | 166.5 | 77.3 | 149.2 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 22 | A | 45.9 | Very low | 50.4 | Low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -144.3 | 11.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 23 | I | 50.4 | Low | 51.8 | Low | 157 Ų | 157 | 127.3 Ų | 127.3 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -111.8 | -11.6 | -173.4 | -58.1 | -179.4 | 0 | 0 | 0 | 113 | ||
| 24 | Q | 47.7 | Very low | 53.2 | Low | 190 Ų | 190 | 122.8 Ų | 122.8 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -87.5 | -9.2 | -177.9 | -81.8 | -179.7 | -1.8 | 0 | 0 | 115.7 | ||
| 25 | A | 48.4 | Very low | 54.8 | Low | 82 Ų | 82 | 119 Ų | 119 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -89.7 | -16.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 26 | L | 49 | Very low | 56.4 | Low | 141 Ų | 141 | 117.4 Ų | 117.4 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -93.4 | -10.8 | -171.5 | -160.4 | 62.6 | 0 | 0 | 0 | 114.5 | G28 | L26-G28 VanDerWaalsContact C-N 3.33Š|
| 27 | A | 50.3 | Low | 57.6 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 69% | 0.694 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -17.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 28 | G | 53.6 | Low | 59.4 | Low | 56 Ų | 56 | 110.9 Ų | 110.9 | 58% | 0.577 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -24.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L26 P32 | L26-G28 VanDerWaalsContact C-N 3.33Å; G28-P32 WeakPolarHBondContact O-CD 3.33Å |
| 29 | L | 56.5 | Low | 60.7 | Low | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -16.7 | -177.9 | -94 | 105.3 | 0 | 0 | 0 | 114.5 | R31 P32 L33 | L29-R31 VanDerWaalsContact C-N 3.31Å; L29-R31 PolarHBondContact O-N 2.74Å; L29-P32 VanDerWaalsContact O-CD 3.25Å; L29-P32 WeakPolarHBondContact O-CD 3.38Å; L29-P32 VanDerWaalsContact O-CG 3.31Å; L29-P32 WeakPolarHBondContact O-CG 3.47Å; L29-L33 VanDerWaalsContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.22Å; L29-L33 PolarHBondContact O-N 3.45Å; L29-L33 VanDerWaalsContact O-N 3.16Å |
| 30 | A | 58.4 | Low | 62.1 | Low | 57 Ų | 57 | 106.5 Ų | 106.5 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64.4 | -36.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V34 | A30-V34 WeakPolarHBondContact O-CB 3.03Å; A30-V34 WeakPolarHBondContact O-CG2 3.46Å; A30-V34 PolarHBondContact O-N 2.79Å |
| 31 | R | 60.5 | Low | 63 | Low | 213 Ų | 213 | 106.1 Ų | 106.1 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.5 | -48.9 | 179.7 | -65.6 | -173.6 | 177.7 | -161.6 | -0.7 | 113.9 | L29 L33 V34 L35 | L29-R31 VanDerWaalsContact C-N 3.31Å; L29-R31 PolarHBondContact O-N 2.74Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-L33 PolarHBondContact O-N 2.7Å; R31-V34 PolarHBondContact O-N 3.04Å; R31-L35 WeakPolarHBondContact O-CB 3.47Å; R31-L35 PolarHBondContact O-N 3.36Å |
| 32 | P | 70.6 | Confident | 63.7 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 47% | 0.468 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.9 | -32.6 | 176.1 | 24.7 | -33.7 | 0 | 0 | 0 | 112.2 | G28 L29 L35 A36 | G28-P32 WeakPolarHBondContact O-CD 3.33Å; L29-P32 VanDerWaalsContact O-CD 3.25Å; L29-P32 WeakPolarHBondContact O-CD 3.38Å; L29-P32 VanDerWaalsContact O-CG 3.31Å; L29-P32 WeakPolarHBondContact O-CG 3.47Å; P32-L35 PolarHBondContact O-N 3.14Å; P32-A36 VanDerWaalsContact O-CB 3.28Å; P32-A36 WeakPolarHBondContact O-CB 2.81Å; P32-A36 PolarHBondContact O-N 3.38Å |
| 33 | L | 72.5 | Confident | 64.6 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70 | -39.5 | 178.1 | -166.2 | 141.9 | 0 | 0 | 0 | 112.2 | L29 R31 A36 L37 | L29-L33 VanDerWaalsContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.22Å; L29-L33 PolarHBondContact O-N 3.45Å; L29-L33 VanDerWaalsContact O-N 3.16Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-L33 PolarHBondContact O-N 2.7Å; L33-A36 PolarHBondContact O-N 2.92Å; L33-L37 WeakPolarHBondContact O-CB 2.98Å; L33-L37 PolarHBondContact O-N 2.95Å |
| 34 | V | 76.9 | Confident | 65.2 | Low | 89 Ų | 89 | 99.3 Ų | 99.3 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.3 | -42.6 | 171.9 | 169.9 | 0 | 0 | 0 | 0 | 111 | A30 R31 L37 L38 | A30-V34 WeakPolarHBondContact O-CB 3.03Å; A30-V34 WeakPolarHBondContact O-CG2 3.46Å; A30-V34 PolarHBondContact O-N 2.79Å; R31-V34 PolarHBondContact O-N 3.04Å; V34-L37 PolarHBondContact O-N 2.79Å; V34-L38 WeakPolarHBondContact O-CB 3.44Å; V34-L38 PolarHBondContact O-N 2.8Å |
| 35 | L | 76.4 | Confident | 65.7 | Low | 113 Ų | 113 | 93.7 Ų | 93.7 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.1 | -43.1 | 177.5 | -158.4 | 85.6 | 0 | 0 | 0 | 111.5 | R31 P32 L38 L39 | R31-L35 WeakPolarHBondContact O-CB 3.47Å; R31-L35 PolarHBondContact O-N 3.36Å; P32-L35 PolarHBondContact O-N 3.14Å; L35-L38 PolarHBondContact O-N 2.76Å; L35-L39 HydrophobicContact CD2-CD1 4.21Å; L35-L39 HydrophobicContact CG-CD1 4.11Å; L35-L39 WeakPolarHBondContact O-CB 3.21Å; L35-L39 WeakPolarHBondContact O-CD1 3.31Å; L35-L39 PolarHBondContact O-N 3.03Å |
| 36 | A | 76.3 | Confident | 66.1 | Low | 52 Ų | 52 | 93.8 Ų | 93.8 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P32 L33 L38 L39 V40 | P32-A36 VanDerWaalsContact O-CB 3.28Å; P32-A36 WeakPolarHBondContact O-CB 2.81Å; P32-A36 PolarHBondContact O-N 3.38Å; L33-A36 PolarHBondContact O-N 2.92Å; A36-L38 VanDerWaalsContact C-N 3.3Å; A36-L38 PolarHBondContact O-N 2.82Å; A36-L39 PolarHBondContact O-N 2.74Å; A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.43Å; A36-V40 PolarHBondContact O-N 3.03Å |
| 37 | L | 74.4 | Confident | 66.2 | Low | 110 Ų | 110 | 92 Ų | 92 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -36.1 | 177.2 | -170.1 | 62.4 | 0 | 0 | 0 | 112 | L33 V34 S41 | L33-L37 WeakPolarHBondContact O-CB 2.98Å; L33-L37 PolarHBondContact O-N 2.95Å; V34-L37 PolarHBondContact O-N 2.79Å; L37-S41 WeakPolarHBondContact O-CB 3.25Å; L37-S41 PolarHBondContact O-N 3.31Å; L37-S41 PolarHBondContact O-OG 3.21Å |
| 38 | L | 80.1 | Confident | 66.2 | Low | 117 Ų | 117 | 93 Ų | 93 | 61% | 0.613 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.5 | -39.2 | 178.2 | -149.1 | 152.2 | 0 | 0 | 0 | 111.8 | V34 L35 A36 S41 A42 | V34-L38 WeakPolarHBondContact O-CB 3.44Å; V34-L38 PolarHBondContact O-N 2.8Å; L35-L38 PolarHBondContact O-N 2.76Å; A36-L38 VanDerWaalsContact C-N 3.3Å; A36-L38 PolarHBondContact O-N 2.82Å; L38-S41 PolarHBondContact O-N 3.23Å; L38-A42 PolarHBondContact O-N 2.78Å |
| 39 | L | 78.1 | Confident | 65.9 | Low | 114 Ų | 114 | 95 Ų | 95 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.2 | -43.3 | 172.8 | -92.5 | 143.9 | 0 | 0 | 0 | 112.4 | L35 A36 S41 A42 A43 | L35-L39 HydrophobicContact CD2-CD1 4.21Å; L35-L39 HydrophobicContact CG-CD1 4.11Å; L35-L39 WeakPolarHBondContact O-CB 3.21Å; L35-L39 WeakPolarHBondContact O-CD1 3.31Å; L35-L39 PolarHBondContact O-N 3.03Å; A36-L39 PolarHBondContact O-N 2.74Å; L39-S41 VanDerWaalsContact C-N 3.34Å; L39-A42 PolarHBondContact O-N 2.99Å; L39-A43 PolarHBondContact O-N 3.19Å |
| 40 | V | 73.8 | Confident | 65.3 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -41.4 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | A36 A42 A43 L44 | A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.43Å; A36-V40 PolarHBondContact O-N 3.03Å; V40-A42 VanDerWaalsContact C-N 3.34Å; V40-A42 PolarHBondContact O-N 3.49Å; V40-A43 PolarHBondContact O-N 2.67Å; V40-L44 HydrophobicContact CG1-CD1 4.09Å; V40-L44 WeakPolarHBondContact O-CD1 2.78Å; V40-L44 PolarHBondContact O-N 2.97Å |
| 41 | S | 70.8 | Confident | 64.6 | Low | 63 Ų | 63 | 103.2 Ų | 103.2 | 44% | 0.441 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -36.6 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | L37 L38 L39 S45 | L37-S41 WeakPolarHBondContact O-CB 3.25Å; L37-S41 PolarHBondContact O-N 3.31Å; L37-S41 PolarHBondContact O-OG 3.21Å; L38-S41 PolarHBondContact O-N 3.23Å; L39-S41 VanDerWaalsContact C-N 3.34Å; S41-S45 PolarHBondContact O-N 2.65Å; S41-S45 VanDerWaalsContact O-N 3.11Å; S41-S45 PolarHBondContact O-OG 3Å; S41-S45 VanDerWaalsContact O-OG 3.07Å |
| 42 | A | 68 | Low | 63.8 | Low | 60 Ų | 60 | 100.3 Ų | 100.3 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.3 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L38 L39 V40 S45 S46 | L38-A42 PolarHBondContact O-N 2.78Å; L39-A42 PolarHBondContact O-N 2.99Å; V40-A42 VanDerWaalsContact C-N 3.34Å; V40-A42 PolarHBondContact O-N 3.49Å; A42-S45 PolarHBondContact O-N 3.27Å; A42-S46 PolarHBondContact O-N 3.33Å; A42-S46 VanDerWaalsContact O-N 3.13Å |
| 43 | A | 64.5 | Low | 62 | Low | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.4 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L39 V40 S46 V47 | L39-A43 PolarHBondContact O-N 3.19Å; V40-A43 PolarHBondContact O-N 2.67Å; A43-S46 PolarHBondContact O-N 2.83Å; A43-V47 PolarHBondContact O-N 2.91Å |
| 44 | L | 61.6 | Low | 60.4 | Low | 112 Ų | 112 | 102.4 Ų | 102.4 | 59% | 0.586 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.1 | -38.8 | 176.2 | -93.8 | 68 | 0 | 0 | 0 | 112.1 | V40 S46 V47 V48 | V40-L44 HydrophobicContact CG1-CD1 4.09Å; V40-L44 WeakPolarHBondContact O-CD1 2.78Å; V40-L44 PolarHBondContact O-N 2.97Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.21Å; L44-V47 PolarHBondContact O-N 3.33Å; L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.49Å |
| 45 | S | 59.1 | Low | 58.8 | Low | 73 Ų | 73 | 103.4 Ų | 103.4 | 51% | 0.51 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.7 | -33 | 175.8 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | S41 A42 S49 | S41-S45 PolarHBondContact O-N 2.65Å; S41-S45 VanDerWaalsContact O-N 3.11Å; S41-S45 PolarHBondContact O-OG 3Å; S41-S45 VanDerWaalsContact O-OG 3.07Å; A42-S45 PolarHBondContact O-N 3.27Å; S45-S49 WeakPolarHBondContact O-CB 3.21Å; S45-S49 PolarHBondContact O-N 2.7Å; S45-S49 VanDerWaalsContact O-N 3.09Å; S45-S49 PolarHBondContact O-OG 3.3Å |
| 46 | S | 57.1 | Low | 57.1 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.4 | -36.7 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | A42 A43 L44 | A42-S46 PolarHBondContact O-N 3.33Å; A42-S46 VanDerWaalsContact O-N 3.13Å; A43-S46 PolarHBondContact O-N 2.83Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.21Å |
| 47 | V | 51.7 | Low | 54.9 | Low | 105 Ų | 105 | 106.8 Ų | 106.8 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69 | -41.8 | 175 | 165.7 | 0 | 0 | 0 | 0 | 111.3 | A43 L44 S49 R50 | A43-V47 PolarHBondContact O-N 2.91Å; L44-V47 PolarHBondContact O-N 3.33Å; V47-S49 VanDerWaalsContact C-N 3.35Å; V47-S49 PolarHBondContact O-N 3.3Å; V47-R50 PolarHBondContact O-N 3.2Å |
| 48 | V | 50.2 | Low | 53.2 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.3 | -31.9 | 179 | 169.5 | 0 | 0 | 0 | 0 | 112.5 | L44 R50 T51 | L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.49Å; V48-R50 PolarHBondContact O-N 3.25Å; V48-T51 PolarHBondContact O-OG1 2.78Å |
| 49 | S | 46.9 | Very low | 50.8 | Low | 98 Ų | 98 | 109.2 Ų | 109.2 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -9.5 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | S45 V47 | S45-S49 WeakPolarHBondContact O-CB 3.21Å; S45-S49 PolarHBondContact O-N 2.7Å; S45-S49 VanDerWaalsContact O-N 3.09Å; S45-S49 PolarHBondContact O-OG 3.3Å; V47-S49 VanDerWaalsContact C-N 3.35Å; V47-S49 PolarHBondContact O-N 3.3Å |
| 50 | R | 44.3 | Very low | 48.6 | Very low | 226 Ų | 226 | 110.4 Ų | 110.4 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -13.5 | -178.2 | -176.8 | 169.1 | -90.4 | 176.6 | -6 | 113.2 | V47 V48 | V47-R50 PolarHBondContact O-N 3.2Å; V48-R50 PolarHBondContact O-N 3.25Å |
| 51 | T | 43.9 | Very low | 46.9 | Very low | 114 Ų | 114 | 112.2 Ų | 112.2 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -95.7 | 1.8 | -174.8 | 37.6 | 0 | 0 | 0 | 0 | 115.5 | V48 | V48-T51 PolarHBondContact O-OG1 2.78Š|
| 52 | D | 42.7 | Very low | 45 | Very low | 152 Ų | 152 | 115.8 Ų | 115.8 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -128.1 | 92.8 | 173.2 | -104.2 | -31.7 | 0 | 0 | 0 | 111 | ||||
| 53 | S | 33.7 | Very low | 43.5 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -158.1 | 111.7 | 159 | -171 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 54 | P | 38.8 | Very low | 41.9 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -79 | 130.2 | 172.8 | 31 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 55 | S | 41.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -50.7 | 153.9 | 174.6 | 51 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 56 | P | 41.4 | Very low | 39.9 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | -139.1 | 136.9 | 119.2 | 34.3 | -20.4 | 0 | 0 | 0 | 115.4 | |||||
| 57 | T | 30.2 | Very low | 38.6 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | 49.7 | 107.5 | 125.9 | -44.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 58 | V | 38.4 | Very low | 37.9 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 30.9 | 111.7 | 130.4 | -172.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 59 | L | 31.1 | Very low | 37.1 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | -164.1 | 145.7 | 119.3 | -134.1 | 104.8 | 0 | 0 | 0 | 112.9 | |||||
| 60 | N | 30.6 | Very low | 36.3 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -57.3 | 146.3 | -177.8 | -55.5 | -76.4 | 0 | 0 | 0 | 114.5 | ||||
| 61 | S | 38 | Very low | 35.7 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -101.4 | 113.5 | 165.3 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 62 | D | 32.1 | Very low | 35.1 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -137.6 | 117.7 | 161.5 | -96.2 | -34.6 | 0 | 0 | 0 | 111 | ||||
| 63 | I | 35.4 | Very low | 34.8 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 75.8 | 116.3 | 130.8 | -58.9 | 167.1 | 0 | 0 | 0 | 120.1 | ||||
| 64 | S | 31.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 76.4 | 122.7 | 140.5 | -65.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 65 | T | 30.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -43.3 | 178.5 | 148.3 | 49.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 66 | P | 49 | Very low | 34.3 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | cis | -131.9 | -176 | -28.1 | 30.2 | -8.6 | 0 | 0 | 0 | 113 | ||||
| 67 | N | 29.9 | Very low | 33.7 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 128.4 | 114.9 | 135.6 | -155.2 | 28.5 | 0 | 0 | 0 | 118.9 | ||||
| 68 | V | 35.6 | Very low | 34 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | trans | 39.3 | 122.1 | 144.4 | -62.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 69 | N | 33.7 | Very low | 34.3 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | 164.7 | 150.7 | 94.1 | -94.2 | -31.9 | 0 | 0 | 0 | 113.1 | |||||
| 70 | A | 30.6 | Very low | 34.1 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 76.2 | 131.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 71 | L | 31.1 | Very low | 34.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | cis | -174.9 | 133.2 | 7.9 | 168.6 | 62 | 0 | 0 | 0 | 107.4 | ||||
| 72 | T | 31.1 | Very low | 34 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | 39.4 | 136.3 | 159.3 | 19.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 73 | H | 36.3 | Very low | 34.2 | Very low | 164 Ų | 164 | 134 Ų | 134 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | -165.4 | 138.7 | 55 | -156.4 | -90.5 | 0 | 0 | 0 | 112.9 | |||||
| 74 | E | 34.9 | Very low | 34.2 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | trans | -32.1 | 156.7 | 157.2 | -86.3 | 175.5 | 97.8 | 0 | 0 | 116.1 | ||||
| 75 | N | 33.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -166.7 | 133.1 | 8 | -97.5 | -40.2 | 0 | 0 | 0 | 105.9 | ||||
| 76 | Q | 34.9 | Very low | 34.5 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | 60 | 111.9 | 87.7 | -73.3 | -92.1 | 73.1 | 0 | 0 | 117.5 | |||||
| 77 | T | 30.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | 98.7 | 107 | 122.9 | -55.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 78 | K | 35.2 | Very low | 34.1 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | 78.1 | 143.1 | 128.1 | -159.1 | 172.1 | -177 | -173.7 | 0 | 120.7 | |||||
| 79 | P | 44.5 | Very low | 35.3 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -93.6 | 151.9 | -168.3 | 36.7 | -31.1 | 0 | 0 | 0 | 113.4 | ||||
| 80 | S | 27.9 | Very low | 35.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -130.7 | 107.9 | 176.1 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 81 | I | 33.4 | Very low | 35.7 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 22.3 | 121.6 | 128.4 | -62.9 | 170.4 | 0 | 0 | 0 | 118.5 | |||||
| 82 | S | 32.4 | Very low | 35.8 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 48.8 | 123.6 | 142.1 | -54.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 83 | Q | 37.7 | Very low | 35.9 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | trans | -144.2 | 137.4 | 132.1 | -70.2 | -164.3 | -40.5 | 0 | 0 | 112.7 | ||||
| 84 | I | 35.2 | Very low | 35.7 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -98.4 | 140.1 | -180 | 8.3 | 170.2 | 0 | 0 | 0 | 107.6 | ||||
| 85 | S | 34.5 | Very low | 35.7 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -163.2 | 102.5 | 149.4 | -89.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 86 | T | 32.7 | Very low | 35.9 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -13.2 | 139.4 | 133.6 | -52.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 87 | T | 31.1 | Very low | 35.8 | Very low | 133 Ų | 133 | 138 Ų | 138 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | 175.7 | 130.2 | 124.7 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 88 | L | 38.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -127.2 | 171.6 | 160.6 | -82.2 | 169.8 | 0 | 0 | 0 | 106.8 | ||||
| 89 | P | 61 | Low | 35.5 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | cis | -125.5 | -162.9 | -33.8 | 34.8 | -14.1 | 0 | 0 | 0 | 111.1 | ||||
| 90 | P | 43.3 | Very low | 35 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | -151.2 | -178.8 | 96.4 | 39.2 | -19.4 | 0 | 0 | 0 | 116.7 | |||||
| 91 | T | 30.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -116.6 | 155.4 | -158.7 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 92 | T | 32.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 88.8 | 140.1 | 147.1 | 42.7 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 93 | S | 32.9 | Very low | 35.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 104.4 | 122.3 | 148.6 | 78.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 94 | T | 31.6 | Very low | 36.3 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | cis | 95.9 | 104.8 | 34.6 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 95 | K | 35.1 | Very low | 36.2 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 155.6 | 149.6 | 139.7 | -96.9 | -171.9 | 173 | 169.6 | 0 | 110.2 | ||||
| 96 | K | 38.2 | Very low | 36.7 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | -174 | 155.5 | 3.5 | 165.2 | 176.3 | 176.4 | -173.5 | 0 | 109.4 | ||||
| 97 | S | 32.8 | Very low | 36.9 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 120.5 | 121.5 | 148.2 | -161.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | G | 28.9 | Very low | 37.8 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | cis | 147 | 147 | 17.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 99 | G | 30.8 | Very low | 37.6 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | cis | -157.3 | 143.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 100 | A | 34.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 123 Ų | 123 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | 77.9 | 114 | 110.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 101 | S | 34.2 | Very low | 36.2 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | -179.9 | 110.8 | 110.5 | -162.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 102 | V | 34.8 | Very low | 36.4 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | 54.2 | 99.3 | 132.4 | -168.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 103 | A | 40.4 | Very low | 36.5 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 49 | 155.2 | 117.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 104 | P | 49.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -116.2 | 166.4 | -142.3 | 41.7 | -30.5 | 0 | 0 | 0 | 115.3 | ||||
| 105 | H | 31.8 | Very low | 36.9 | Very low | 194 Ų | 194 | 131 Ų | 131 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -142 | 153.6 | 162.3 | -101.4 | -85 | 0 | 0 | 0 | 113.6 | ||||
| 106 | P | 46 | Very low | 37.3 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -103 | 162.7 | -160.1 | 40 | -32.5 | 0 | 0 | 0 | 115 | ||||
| 107 | S | 37.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -70.2 | -179.1 | 167.7 | -32.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 108 | P | 49.9 | Very low | 37.5 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -144.2 | -170.9 | 1.7 | 32.4 | -6.5 | 0 | 0 | 0 | 117.4 | ||||
| 109 | T | 33.9 | Very low | 38.2 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | 93.3 | 160.9 | 147.4 | -11.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 110 | P | 45.5 | Very low | 38.9 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | -129.3 | 172.9 | -68.8 | 42.9 | -29.5 | 0 | 0 | 0 | 114.6 | |||||
| 111 | L | 29.2 | Very low | 39.5 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -160.6 | 129.5 | 140.3 | -160.2 | 63.9 | 0 | 0 | 0 | 113.4 | ||||
| 112 | S | 34.7 | Very low | 40.6 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -55.1 | 174.5 | 172.3 | -33.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 113 | Q | 35.2 | Very low | 40.8 | Very low | 164 Ų | 164 | 132 Ų | 132 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | 174.7 | 137.7 | -5 | 153.4 | -180 | -13.2 | 0 | 0 | 105.7 | ||||
| 114 | E | 37.1 | Very low | 41.2 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -144.4 | 132.1 | 146.2 | -170.3 | 171.4 | 126 | 0 | 0 | 108.8 | ||||
| 115 | E | 35.4 | Very low | 41 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -55.4 | 154.3 | 179 | -73.1 | 171.3 | 131.9 | 0 | 0 | 111.7 | ||||
| 116 | A | 43.5 | Very low | 41.9 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 88% | 0.876 | 76% | 0.755 | S | S | * | * | -152.1 | 157.5 | 53.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 117 | D | 36.2 | Very low | 42.1 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -106.8 | 147 | -157.1 | -169.2 | 31.6 | 0 | 0 | 0 | 111.3 | ||||
| 118 | N | 38.6 | Very low | 42.4 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 65% | 0.647 | 77% | 0.765 | S | S | * | * | trans | 48.7 | 150.3 | 141.8 | -93.5 | -117.2 | 0 | 0 | 0 | 120.3 | ||||
| 119 | N | 44.3 | Very low | 42 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | cis | 176 | 153.1 | -13 | -117.3 | -20.7 | 0 | 0 | 0 | 105.8 | ||||
| 120 | E | 44.8 | Very low | 42.7 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 63.6 | 144.6 | 150.6 | -59.1 | 174.5 | -173.8 | 0 | 0 | 118.6 | ||||
| 121 | D | 46.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | -166 | 173.8 | 15.3 | -152.2 | 25.2 | 0 | 0 | 0 | 107.9 | ||||
| 122 | P | 59.1 | Low | 43.2 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -91 | 141.3 | -173.4 | 36.5 | -30.3 | 0 | 0 | 0 | 113.2 | ||||
| 123 | S | 38.7 | Very low | 43.9 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -113.5 | 142.4 | 170.2 | 95.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 124 | I | 49.2 | Very low | 44 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -67.5 | -176.7 | 169.9 | 54 | 161.8 | 0 | 0 | 0 | 111.7 | ||||
| 125 | E | 44.2 | Very low | 44.5 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 100.5 | 126.5 | 176.5 | -52.3 | 153.7 | -127 | 0 | 0 | 110.8 | ||||
| 126 | E | 51.7 | Low | 45 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | cis | -158.2 | 136.1 | 37.2 | -45.1 | -89.6 | 161.5 | 0 | 0 | 109.1 | ||||
| 127 | E | 48.9 | Very low | 44.6 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -108.2 | 89.9 | 163.9 | 47.4 | -160.5 | 146.8 | 0 | 0 | 108.4 | ||||
| 128 | D | 45.2 | Very low | 44.6 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -162.2 | 157.5 | 161.2 | -158 | 3 | 0 | 0 | 0 | 109.8 | ||||
| 129 | L | 40.8 | Very low | 44.8 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 100.1 | 51.6 | -174.3 | -50.2 | -165.7 | 0 | 0 | 0 | 116.3 | M131 | L129-M131 PolarHBondContact O-N 2.98Š| ||
| 130 | L | 47.9 | Very low | 45.1 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 105.8 | 138 | -65.8 | 177 | 0 | 0 | 0 | 109.4 | ||||
| 131 | M | 36.9 | Very low | 45.1 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | trans | -174.4 | 126.5 | 146.1 | -110.2 | 173.7 | 33.6 | 0 | 0 | 113.2 | L129 | L129-M131 PolarHBondContact O-N 2.98Š| ||
| 132 | L | 48.7 | Very low | 45.2 | Very low | 136 Ų | 136 | 141 Ų | 141 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | 67.1 | 101.3 | 147 | -55.2 | 171.1 | 0 | 0 | 0 | 117.7 | ||||
| 133 | N | 49.9 | Very low | 44.9 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | 167.9 | 92.3 | 115.6 | -87.9 | -55.7 | 0 | 0 | 0 | 111.7 | |||||
| 134 | S | 36.8 | Very low | 45.4 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -161.2 | 91.5 | 148.9 | 46 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | S | 47 | Very low | 45.4 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -65.8 | 144.4 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 136 | P | 46 | Very low | 45.6 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -100.3 | 121 | 155.1 | 33.1 | -22.1 | 0 | 0 | 0 | 109.2 | ||||
| 137 | S | 35.2 | Very low | 46 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -149.9 | 107.3 | 161.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | T | 36.9 | Very low | 46.3 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -145.4 | 112.5 | 132.6 | 50.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 139 | A | 41.8 | Very low | 46.4 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -59.5 | 136.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 140 | K | 52 | Low | 47.3 | Very low | 193 Ų | 193 | 136.9 Ų | 136.9 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -142 | 98.9 | 141.3 | -168 | 166.2 | 178.3 | 170.3 | 0 | 109.2 | ||||
| 141 | D | 44.5 | Very low | 47.8 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -55.7 | 123.7 | 159.7 | 178.9 | 19.6 | 0 | 0 | 0 | 110.2 | ||||
| 142 | T | 46.8 | Very low | 48.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -152 | 92.5 | 151.1 | -60.4 | 0 | 0 | 0 | 0 | 107 | D144 | T142-D144 PolarHBondContact O-N 2.7Š| ||
| 143 | L | 54.3 | Low | 48.4 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | -28.1 | 118.5 | 151.8 | -128.3 | 159.3 | 0 | 0 | 0 | 112.5 | ||||
| 144 | D | 47.8 | Very low | 48.7 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -151.8 | 114.1 | 144.6 | -164.4 | 15.3 | 0 | 0 | 0 | 110 | T142 | T142-D144 PolarHBondContact O-N 2.7Š| ||
| 145 | N | 50.1 | Low | 49.3 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 121.4 | -179.8 | -70.6 | -9 | 0 | 0 | 0 | 107.9 | ||||
| 146 | G | 48.2 | Very low | 49.6 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -139.8 | 67.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y148 | G146-Y148 PolarHBondContact O-N 3.05Š| ||
| 147 | D | 59.5 | Low | 49.4 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -48.7 | 125.5 | 152 | 170.3 | 35.5 | 0 | 0 | 0 | 109.2 | ||||
| 148 | Y | 55.6 | Low | 50 | Low | 228 Ų | 228 | 137.5 Ų | 137.5 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | -176.3 | 111.4 | 148.7 | -95.2 | -64.9 | 0 | 0 | 0 | 111.2 | G146 | G146-Y148 PolarHBondContact O-N 3.05Š| ||
| 149 | G | 48.7 | Very low | 50.7 | Low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 105.3 | 79.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 150 | E | 59.1 | Low | 51.1 | Low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -49.2 | 128 | 142.6 | -99.7 | -84.9 | -177.8 | 0 | 0 | 110.1 | D152 | E150-D152 PolarHBondContact O-N 3.18Š| ||
| 151 | P | 57.7 | Low | 50.8 | Low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -88 | 88.2 | 164.6 | 32.7 | -26 | 0 | 0 | 0 | 109.4 | Y153 | P151-Y153 PolarHBondContact O-N 2.83Š| ||
| 152 | D | 50.2 | Low | 51.1 | Low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -62 | 99.1 | 159.8 | -66.8 | -32.4 | 0 | 0 | 0 | 108.4 | E150 D154 | E150-D152 PolarHBondContact O-N 3.18Å; D152-D154 PolarHBondContact O-N 3.38Å | ||
| 153 | Y | 48.9 | Very low | 51 | Low | 222 Ų | 222 | 143.1 Ų | 143.1 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 95.1 | 170 | -102.6 | -91.3 | 0 | 0 | 0 | 109.5 | P151 W155 | P151-Y153 PolarHBondContact O-N 2.83Å; Y153-W155 PolarHBondContact O-N 3.4Å | ||
| 154 | D | 55.3 | Low | 50.9 | Low | 121 Ų | 121 | 146 Ų | 146 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | trans | -68.1 | 117.6 | 167.3 | -179.8 | 2.9 | 0 | 0 | 0 | 110.1 | D152 T156 | D152-D154 PolarHBondContact O-N 3.38Å; D154-T156 PolarHBondContact OD1-N 3.19Å; D154-T156 PolarHBondContact OD1-OG1 3.32Å | ||
| 155 | W | 50.6 | Low | 50.8 | Low | 235 Ų | 235 | 143.6 Ų | 143.6 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -93.5 | 19.9 | -178.7 | 65.6 | -79.3 | 0 | 0 | 0 | 113.5 | Y153 | Y153-W155 PolarHBondContact O-N 3.4Š| ||
| 156 | T | 51.9 | Low | 50.8 | Low | 83 Ų | 83 | 143.5 Ų | 143.5 | 51% | 0.509 | 77% | 0.772 | S | S | . | * | trans | -137.2 | 83.9 | -169.9 | 27 | 0 | 0 | 0 | 0 | 115.2 | D154 | D154-T156 PolarHBondContact OD1-N 3.19Å; D154-T156 PolarHBondContact OD1-OG1 3.32Å | ||
| 157 | T | 42.6 | Very low | 50.7 | Low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -137 | 94.9 | 145.4 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 158 | G | 47.8 | Very low | 50.2 | Low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | -74.1 | 146.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 159 | P | 51.9 | Low | 50.1 | Low | 128 Ų | 128 | 142.3 Ų | 142.3 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -88.9 | 108.1 | 147.8 | -4.3 | 23.9 | 0 | 0 | 0 | 107.1 | ||||
| 160 | R | 50 | Low | 50.3 | Low | 217 Ų | 217 | 146.8 Ų | 146.8 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | trans | -62 | 122.5 | 157.6 | -174.8 | -175.3 | -166.7 | -163 | 2.5 | 107.2 | ||||
| 161 | D | 45.4 | Very low | 49.9 | Very low | 161 Ų | 161 | 147 Ų | 147 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -146 | 126 | 146.8 | -84.3 | -35.6 | 0 | 0 | 0 | 107.5 | ||||
| 162 | D | 50.7 | Low | 49.6 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -57.8 | 133.9 | 178.6 | -81.1 | -44.4 | 0 | 0 | 0 | 111.3 | ||||
| 163 | D | 45.3 | Very low | 49.9 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -147 | 109.7 | 131.5 | -100.5 | -32.6 | 0 | 0 | 0 | 108.7 | ||||
| 164 | E | 52.2 | Low | 49.9 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -80.4 | 107.5 | 172.3 | 179.4 | 164.6 | -158.2 | 0 | 0 | 108.5 | ||||
| 165 | S | 45.9 | Very low | 49.8 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -161 | 109 | 156.2 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 166 | D | 49.4 | Very low | 50 | Low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | trans | 20.5 | 108.9 | 134.4 | -163.2 | 20.1 | 0 | 0 | 0 | 116.7 | ||||
| 167 | D | 45.8 | Very low | 50 | Low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | -177.7 | 70.2 | 142.6 | -91.4 | -32.3 | 0 | 0 | 0 | 110.7 | L169 | D167-L169 PolarHBondContact O-N 2.7Š| ||
| 168 | T | 50.3 | Low | 50.7 | Low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 32.3 | 173.2 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 169 | L | 52.7 | Low | 51 | Low | 158 Ų | 158 | 143.6 Ų | 143.6 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 3.7 | -173.9 | -64 | 178.6 | 0 | 0 | 0 | 115.7 | D167 | D167-L169 PolarHBondContact O-N 2.7Š|
| 170 | E | 51.8 | Low | 51.1 | Low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -103.8 | -3.9 | 178 | -151.3 | -177.7 | 164.3 | 0 | 0 | 114.7 | N172 | E170-N172 VanDerWaalsContact C-N 3.34Å; E170-N172 PolarHBondContact O-N 3.24Å |
| 171 | E | 50.6 | Low | 51.2 | Low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75.6 | -18.8 | -174.5 | -165.2 | 171.9 | -167.5 | 0 | 0 | 114 | R173 | E171-R173 PolarHBondContact O-N 3.37Å |
| 172 | N | 53.2 | Low | 51.6 | Low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.5 | -18.1 | -175.2 | -163.3 | -96.3 | 0 | 0 | 0 | 114.1 | E170 | E170-N172 VanDerWaalsContact C-N 3.34Å; E170-N172 PolarHBondContact O-N 3.24Å |
| 173 | R | 54.9 | Low | 51.7 | Low | 220 Ų | 220 | 136.2 Ų | 136.2 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -87.5 | -29 | -179.3 | -127.7 | 178.2 | -156.6 | -94.9 | 1 | 113.3 | E171 | E171-R173 PolarHBondContact O-N 3.37Å |
| 174 | G | 50.5 | Low | 52.1 | Low | 33 Ų | 33 | 133 Ų | 133 | 34% | 0.34 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -70.4 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | M176 E177 I178 | G174-M176 PolarHBondContact O-N 3.38Å; G174-E177 PolarHBondContact O-N 3.28Å; G174-I178 WeakPolarHBondContact O-CB 3.34Å; G174-I178 VanDerWaalsContact O-CD1 3.28Å; G174-I178 WeakPolarHBondContact O-CD1 3.5Å; G174-I178 WeakPolarHBondContact O-CG1 3.12Å; G174-I178 PolarHBondContact O-N 2.83Å |
| 175 | Y | 51.8 | Low | 52.1 | Low | 152 Ų | 152 | 132.2 Ų | 132.2 | 60% | 0.596 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.3 | -36.7 | -176 | -120.6 | -90.3 | 0 | 0 | 0 | 113.5 | E179 | Y175-E179 WeakPolarHBondContact O-CB 3.36Å; Y175-E179 VanDerWaalsContact O-CG 3.28Å; Y175-E179 WeakPolarHBondContact O-CG 3.27Å; Y175-E179 PolarHBondContact O-N 2.81Å |
| 176 | M | 54.6 | Low | 52.5 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.1 | -33.2 | 179.3 | -63.6 | -66.6 | -67.5 | 0 | 0 | 112.7 | G174 Q180 | G174-M176 PolarHBondContact O-N 3.38Å; M176-Q180 VanDerWaalsContact O-CB 3.26Å; M176-Q180 WeakPolarHBondContact O-CB 3.45Å; M176-Q180 PolarHBondContact O-N 3.46Å |
| 177 | E | 53.1 | Low | 52.7 | Low | 149 Ų | 149 | 134.2 Ų | 134.2 | 70% | 0.696 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.6 | -34.7 | 177.9 | -173.2 | 167.7 | 175.9 | 0 | 0 | 111.8 | G174 Q180 S181 | G174-E177 PolarHBondContact O-N 3.28Å; E177-Q180 PolarHBondContact O-N 2.76Å; E177-S181 WeakPolarHBondContact O-CB 3.34Å; E177-S181 PolarHBondContact O-N 2.86Å; E177-S181 PolarHBondContact O-OG 2.79Å |
| 178 | I | 56.3 | Low | 53 | Low | 102 Ų | 102 | 133.4 Ų | 133.4 | 52% | 0.523 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -68 | -43.3 | 170.7 | -63.7 | 163.5 | 0 | 0 | 0 | 110.1 | G174 Q180 S181 V182 | G174-I178 WeakPolarHBondContact O-CB 3.34Å; G174-I178 VanDerWaalsContact O-CD1 3.28Å; G174-I178 WeakPolarHBondContact O-CD1 3.5Å; G174-I178 WeakPolarHBondContact O-CG1 3.12Å; G174-I178 PolarHBondContact O-N 2.83Å; I178-Q180 VanDerWaalsContact C-N 3.34Å; I178-Q180 PolarHBondContact O-N 3.2Å; I178-S181 WeakPolarHBondContact CA-OG 3.48Å; I178-S181 PolarHBondContact O-N 2.78Å; I178-S181 PolarHBondContact O-OG 3.43Å; I178-S181 VanDerWaalsContact O-OG 3.11Å; I178-V182 HydrophobicContact CG2-CG2 4.08Å; I178-V182 VanDerWaalsContact O-CB 3.25Å; I178-V182 WeakPolarHBondContact O-CB 3.05Å; I178-V182 WeakPolarHBondContact O-CG2 3.32Å; I178-V182 PolarHBondContact O-N 2.83Å |
| 179 | E | 54.5 | Low | 52.9 | Low | 115 Ų | 115 | 129.3 Ų | 129.3 | 54% | 0.537 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.9 | -36 | 175.4 | -77.1 | -170.2 | -176.1 | 0 | 0 | 113 | Y175 K183 | Y175-E179 WeakPolarHBondContact O-CB 3.36Å; Y175-E179 VanDerWaalsContact O-CG 3.28Å; Y175-E179 WeakPolarHBondContact O-CG 3.27Å; Y175-E179 PolarHBondContact O-N 2.81Å; E179-K183 WeakPolarHBondContact O-CB 3.11Å; E179-K183 PolarHBondContact O-N 3.22Å |
| 180 | Q | 53.3 | Low | 52.7 | Low | 138 Ų | 138 | 125.3 Ų | 125.3 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75 | -32.9 | 178.6 | -162.9 | 171.6 | -15.4 | 0 | 0 | 112.5 | M176 E177 I178 S184 | M176-Q180 VanDerWaalsContact O-CB 3.26Å; M176-Q180 WeakPolarHBondContact O-CB 3.45Å; M176-Q180 PolarHBondContact O-N 3.46Å; E177-Q180 PolarHBondContact O-N 2.76Å; I178-Q180 VanDerWaalsContact C-N 3.34Å; I178-Q180 PolarHBondContact O-N 3.2Å; Q180-S184 VanDerWaalsContact O-CB 3.26Å; Q180-S184 WeakPolarHBondContact O-CB 3.38Å; Q180-S184 PolarHBondContact O-N 2.86Å; Q180-S184 PolarHBondContact O-OG 3.49Å |
| 181 | S | 52.6 | Low | 52.7 | Low | 68 Ų | 68 | 122.7 Ų | 122.7 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -78.5 | -31.9 | 174 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | E177 I178 S184 F185 | E177-S181 WeakPolarHBondContact O-CB 3.34Å; E177-S181 PolarHBondContact O-N 2.86Å; E177-S181 PolarHBondContact O-OG 2.79Å; I178-S181 WeakPolarHBondContact CA-OG 3.48Å; I178-S181 PolarHBondContact O-N 2.78Å; I178-S181 PolarHBondContact O-OG 3.43Å; I178-S181 VanDerWaalsContact O-OG 3.11Å; S181-S184 PolarHBondContact O-N 3.27Å; S181-F185 PolarHBondContact O-N 3.42Å |
| 182 | V | 54.1 | Low | 53 | Low | 99 Ų | 99 | 119.6 Ų | 119.6 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.7 | -35.4 | 170.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | I178 | I178-V182 HydrophobicContact CG2-CG2 4.08Å; I178-V182 VanDerWaalsContact O-CB 3.25Å; I178-V182 WeakPolarHBondContact O-CB 3.05Å; I178-V182 WeakPolarHBondContact O-CG2 3.32Å; I178-V182 PolarHBondContact O-N 2.83Å |
| 183 | K | 53.3 | Low | 53.1 | Low | 177 Ų | 177 | 119 Ų | 119 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.6 | -25.3 | 174.8 | -162.8 | 173.8 | -175.6 | -174.5 | 0 | 113.4 | E179 | E179-K183 WeakPolarHBondContact O-CB 3.11Å; E179-K183 PolarHBondContact O-N 3.22Å |
| 184 | S | 53.5 | Low | 53.2 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -91.5 | -7.5 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 114 | Q180 S181 | Q180-S184 VanDerWaalsContact O-CB 3.26Å; Q180-S184 WeakPolarHBondContact O-CB 3.38Å; Q180-S184 PolarHBondContact O-N 2.86Å; Q180-S184 PolarHBondContact O-OG 3.49Å; S181-S184 PolarHBondContact O-N 3.27Å |
| 185 | F | 52.3 | Low | 53.6 | Low | 174 Ų | 174 | 117.3 Ų | 117.3 | 76% | 0.763 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -98.3 | -3.9 | 171.8 | -161.9 | -101.6 | 0 | 0 | 0 | 113.8 | S181 M187 | S181-F185 PolarHBondContact O-N 3.42Å; F185-M187 VanDerWaalsContact C-N 3.3Å; F185-M187 PolarHBondContact O-N 2.79Å; F185-M187 VanDerWaalsContact O-N 3.16Å |
| 186 | K | 52.9 | Low | 54.2 | Low | 149 Ų | 149 | 114.1 Ų | 114.1 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | trans | -90.3 | 61.5 | 174.3 | -170.2 | 142.4 | -179.7 | 169.3 | 0 | 112.1 | E193 | K186-E193 IonicContact NZ-OE1 3.95Å; K186-E193 IonicContact NZ-OE2 2.96Å; K186-E193 PolarHBondContact NZ-OE2 2.77Å | ||
| 187 | M | 53.7 | Low | 55.1 | Low | 138 Ų | 138 | 110.3 Ų | 110.3 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | trans | -161.6 | 93.3 | 147.7 | -167.3 | 70.3 | 86.3 | 0 | 0 | 107.1 | F185 | F185-M187 VanDerWaalsContact C-N 3.3Å; F185-M187 PolarHBondContact O-N 2.79Å; F185-M187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | P | 52.2 | Low | 56.6 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | S | Bend | -141.8 | 97.6 | 95.3 | 33.8 | -16.8 | 0 | 0 | 0 | 110.1 | |||
| 189 | S | 48.6 | Very low | 57.8 | Low | 47 Ų | 47 | 109.5 Ų | 109.5 | 33% | 0.329 | 57% | 0.565 | S | S | . | * | trans | 166.1 | 67.5 | 153 | 178 | 0 | 0 | 0 | 0 | 109.2 | I192 | S189-I192 WeakPolarHBondContact OG-CB 3.39Å; S189-I192 VanDerWaalsContact OG-CD1 3.3Å; S189-I192 WeakPolarHBondContact OG-CD1 3.29Å; S189-I192 WeakPolarHBondContact OG-CG1 3.25Å; S189-I192 PolarHBondContact OG-N 3.28Å; S189-I192 VanDerWaalsContact OG-N 3.09Å | ||
| 190 | S | 49.7 | Very low | 59.2 | Low | 73 Ų | 73 | 109.7 Ų | 109.7 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | 3.1 | 152.8 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | E194 | S190-E194 VanDerWaalsContact O-CB 3.31Å; S190-E194 WeakPolarHBondContact O-CB 3.36Å |
| 191 | N | 52 | Low | 60.6 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 57% | 0.572 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -45.4 | 176.4 | -148.1 | -144.3 | 0 | 0 | 0 | 110.7 | E193 E194 E195 | N191-E193 PolarHBondContact O-N 3.12Å; N191-E194 CarbonylContact O-C 3.53Å; N191-E194 PolarHBondContact O-N 3.4Å; N191-E195 WeakPolarHBondContact CB-OE1 3.18Å; N191-E195 VanDerWaalsContact O-CB 3.28Å; N191-E195 WeakPolarHBondContact O-CB 3.04Å; N191-E195 VanDerWaalsContact O-CD 3.29Å; N191-E195 WeakPolarHBondContact O-CG 3.37Å; N191-E195 PolarHBondContact O-N 2.7Å; N191-E195 VanDerWaalsContact O-OE1 3.1Å; N191-E195 PolarHBondContact OD1-OE1 2.93Å |
| 192 | I | 56 | Low | 62.4 | Low | 96 Ų | 96 | 110.3 Ų | 110.3 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | -175.8 | -62.2 | 166.4 | 0 | 0 | 0 | 113.6 | S189 E194 E195 D196 | S189-I192 WeakPolarHBondContact OG-CB 3.39Å; S189-I192 VanDerWaalsContact OG-CD1 3.3Å; S189-I192 WeakPolarHBondContact OG-CD1 3.29Å; S189-I192 WeakPolarHBondContact OG-CG1 3.25Å; S189-I192 PolarHBondContact OG-N 3.28Å; S189-I192 VanDerWaalsContact OG-N 3.09Å; I192-E194 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 3.32Å; I192-E195 PolarHBondContact N-OE1 2.86Å; I192-E195 PolarHBondContact O-N 3.12Å; I192-D196 PolarHBondContact O-N 3.41Å |
| 193 | E | 56.1 | Low | 64 | Low | 127 Ų | 127 | 109.2 Ų | 109.2 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -29.4 | 176.1 | -70.7 | -173.4 | 109.5 | 0 | 0 | 111.7 | K186 N191 S197 | K186-E193 IonicContact NZ-OE1 3.95Å; K186-E193 IonicContact NZ-OE2 2.96Å; K186-E193 PolarHBondContact NZ-OE2 2.77Å; N191-E193 PolarHBondContact O-N 3.12Å; E193-S197 PolarHBondContact O-N 2.88Å |
| 194 | E | 57.1 | Low | 65.8 | Low | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -79.7 | -34.3 | 176.4 | -156.9 | 164.7 | -140.9 | 0 | 0 | 111.4 | S190 N191 I192 S197 H198 | S190-E194 VanDerWaalsContact O-CB 3.31Å; S190-E194 WeakPolarHBondContact O-CB 3.36Å; N191-E194 CarbonylContact O-C 3.53Å; N191-E194 PolarHBondContact O-N 3.4Å; I192-E194 VanDerWaalsContact C-N 3.3Å; I192-E194 PolarHBondContact O-N 3.32Å; E194-S197 PolarHBondContact O-N 3.34Å; E194-S197 PolarHBondContact O-OG 2.83Å; E194-H198 WeakPolarHBondContact O-CB 3.36Å; E194-H198 PolarHBondContact O-N 3.48Å |
| 195 | E | 58.1 | Low | 67.6 | Low | 88 Ų | 88 | 106 Ų | 106 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 171.2 | -74.1 | 158.9 | -132.6 | 0 | 0 | 112.2 | N191 I192 H198 F199 | N191-E195 WeakPolarHBondContact CB-OE1 3.18Å; N191-E195 VanDerWaalsContact O-CB 3.28Å; N191-E195 WeakPolarHBondContact O-CB 3.04Å; N191-E195 VanDerWaalsContact O-CD 3.29Å; N191-E195 WeakPolarHBondContact O-CG 3.37Å; N191-E195 PolarHBondContact O-N 2.7Å; N191-E195 VanDerWaalsContact O-OE1 3.1Å; N191-E195 PolarHBondContact OD1-OE1 2.93Å; I192-E195 PolarHBondContact N-OE1 2.86Å; I192-E195 PolarHBondContact O-N 3.12Å; E195-H198 VanDerWaalsContact O-CB 3.29Å; E195-H198 WeakPolarHBondContact O-CB 3.48Å; E195-H198 PolarHBondContact O-N 3.28Å; E195-F199 PolarHBondContact O-N 2.86Å |
| 196 | D | 63.6 | Low | 69.5 | Low | 84 Ų | 84 | 104.2 Ų | 104.2 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 177.4 | -82.6 | -6.7 | 0 | 0 | 0 | 110.5 | I192 H198 F199 F200 | I192-D196 PolarHBondContact O-N 3.41Å; D196-H198 PolarHBondContact O-N 3.34Å; D196-F199 WeakPolarHBondContact O-CB 3.33Å; D196-F199 PolarHBondContact O-N 2.82Å; D196-F199 VanDerWaalsContact O-N 3.14Å; D196-F200 HydrophobicContact CB-CD2 4.42Å; D196-F200 HydrophobicContact CB-CE2 4.15Å; D196-F200 WeakPolarHBondContact O-CD2 3.46Å; D196-F200 PolarHBondContact O-N 2.96Å |
| 197 | S | 74.8 | Confident | 71.3 | Confident | 47 Ų | 47 | 99.8 Ų | 99.8 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 173.2 | 83.8 | 0 | 0 | 0 | 0 | 111.2 | E193 E194 F200 F201 | E193-S197 PolarHBondContact O-N 2.88Å; E194-S197 PolarHBondContact O-N 3.34Å; E194-S197 PolarHBondContact O-OG 2.83Å; S197-F200 PolarHBondContact O-N 3.45Å; S197-F201 WeakPolarHBondContact O-CD2 3.15Å; S197-F201 WeakPolarHBondContact O-CG 3.15Å; S197-F201 PolarHBondContact O-N 3.14Å |
| 198 | H | 83.6 | Confident | 73.1 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.546 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 175.1 | -173.6 | 64.4 | 0 | 0 | 0 | 110.8 | E194 E195 D196 F200 F201 H202 | E194-H198 WeakPolarHBondContact O-CB 3.36Å; E194-H198 PolarHBondContact O-N 3.48Å; E195-H198 VanDerWaalsContact O-CB 3.29Å; E195-H198 WeakPolarHBondContact O-CB 3.48Å; E195-H198 PolarHBondContact O-N 3.28Å; D196-H198 PolarHBondContact O-N 3.34Å; H198-F200 PolarHBondContact O-N 3.47Å; H198-F201 PolarHBondContact O-N 2.87Å; H198-H202 AromaticContact CD2-CE1 3.79Å; H198-H202 AromaticContact CE1-CE1 3.12Å; H198-H202 PolarHBondContact CE1-CE1 3.46Å; H198-H202 AromaticContact CE1-ND1 3.92Å; H198-H202 AromaticContact CG-CE1 3.83Å; H198-H202 AromaticContact CG-ND1 3.9Å; H198-H202 AromaticContact ND1-CE1 3.4Å; H198-H202 PolarHBondContact ND1-CE1 2.85Å; H198-H202 AromaticContact ND1-ND1 3.8Å; H198-H202 AromaticContact NE2-CE1 3.32Å; H198-H202 PolarHBondContact NE2-CE1 3.29Å; H198-H202 VanDerWaalsContact NE2-CE1 3.32Å; H198-H202 PolarHBondContact O-N 3.26Å; H198-H202 PolarHBondContact O-ND1 3.49Å |
| 199 | F | 81.8 | Confident | 74.7 | Confident | 116 Ų | 116 | 97.4 Ų | 97.4 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.5 | -179.8 | -106.9 | 0 | 0 | 0 | 112.3 | E195 D196 F201 H202 L203 | E195-F199 PolarHBondContact O-N 2.86Å; D196-F199 WeakPolarHBondContact O-CB 3.33Å; D196-F199 PolarHBondContact O-N 2.82Å; D196-F199 VanDerWaalsContact O-N 3.14Å; F199-F201 VanDerWaalsContact C-N 3.34Å; F199-F201 PolarHBondContact O-N 3.42Å; F199-H202 WeakPolarHBondContact O-CB 3.28Å; F199-H202 PolarHBondContact O-N 2.94Å; F199-H202 VanDerWaalsContact O-N 3.12Å; F199-L203 HydrophobicContact CD1-CD1 3.9Å; F199-L203 HydrophobicContact CD1-CG 4.27Å; F199-L203 HydrophobicContact CE1-CD1 3.41Å; F199-L203 VanDerWaalsContact CE1-CD1 3.41Å; F199-L203 HydrophobicContact CE1-CD2 4.39Å; F199-L203 HydrophobicContact CE1-CG 3.96Å; F199-L203 HydrophobicContact CE2-CD2 4.29Å; F199-L203 HydrophobicContact CE2-CG 4.41Å; F199-L203 HydrophobicContact CZ-CD1 3.84Å; F199-L203 HydrophobicContact CZ-CD2 3.98Å; F199-L203 HydrophobicContact CZ-CG 4.02Å; F199-L203 WeakPolarHBondContact O-CG 3.46Å; F199-L203 PolarHBondContact O-N 3.24Å |
| 200 | F | 83.3 | Confident | 76.6 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 175.3 | -73.7 | -64.2 | 0 | 0 | 0 | 112.4 | D196 S197 H198 L203 I204 | D196-F200 HydrophobicContact CB-CD2 4.42Å; D196-F200 HydrophobicContact CB-CE2 4.15Å; D196-F200 WeakPolarHBondContact O-CD2 3.46Å; D196-F200 PolarHBondContact O-N 2.96Å; S197-F200 PolarHBondContact O-N 3.45Å; H198-F200 PolarHBondContact O-N 3.47Å; F200-L203 HydrophobicContact CD1-CD1 4.5Å; F200-L203 PolarHBondContact O-N 2.9Å; F200-I204 WeakPolarHBondContact O-CB 3.1Å; F200-I204 WeakPolarHBondContact O-CD1 3.2Å; F200-I204 WeakPolarHBondContact O-CG1 3.46Å; F200-I204 PolarHBondContact O-N 2.75Å |
| 201 | F | 84.1 | Confident | 78.4 | Confident | 119 Ų | 119 | 98 Ų | 98 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 172.9 | -70.5 | -60.3 | 0 | 0 | 0 | 112 | S197 H198 F199 L203 I204 I205 | S197-F201 WeakPolarHBondContact O-CD2 3.15Å; S197-F201 WeakPolarHBondContact O-CG 3.15Å; S197-F201 PolarHBondContact O-N 3.14Å; H198-F201 PolarHBondContact O-N 2.87Å; F199-F201 VanDerWaalsContact C-N 3.34Å; F199-F201 PolarHBondContact O-N 3.42Å; F201-L203 VanDerWaalsContact C-N 3.31Å; F201-L203 PolarHBondContact O-N 3.34Å; F201-I204 PolarHBondContact O-N 3.21Å; F201-I205 VanDerWaalsContact O-CB 3.25Å; F201-I205 WeakPolarHBondContact O-CB 3.31Å; F201-I205 WeakPolarHBondContact O-CD1 3.3Å; F201-I205 WeakPolarHBondContact O-CG1 3.22Å; F201-I205 PolarHBondContact O-N 3.34Å |
| 202 | H | 89.7 | Confident | 79.8 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 173 | -76 | 67.6 | 0 | 0 | 0 | 111.1 | H198 F199 F206 | H198-H202 AromaticContact CD2-CE1 3.79Å; H198-H202 AromaticContact CE1-CE1 3.12Å; H198-H202 PolarHBondContact CE1-CE1 3.46Å; H198-H202 AromaticContact CE1-ND1 3.92Å; H198-H202 AromaticContact CG-CE1 3.83Å; H198-H202 AromaticContact CG-ND1 3.9Å; H198-H202 AromaticContact ND1-CE1 3.4Å; H198-H202 PolarHBondContact ND1-CE1 2.85Å; H198-H202 AromaticContact ND1-ND1 3.8Å; H198-H202 AromaticContact NE2-CE1 3.32Å; H198-H202 PolarHBondContact NE2-CE1 3.29Å; H198-H202 VanDerWaalsContact NE2-CE1 3.32Å; H198-H202 PolarHBondContact O-N 3.26Å; H198-H202 PolarHBondContact O-ND1 3.49Å; F199-H202 WeakPolarHBondContact O-CB 3.28Å; F199-H202 PolarHBondContact O-N 2.94Å; F199-H202 VanDerWaalsContact O-N 3.12Å; H202-F206 WeakPolarHBondContact O-CB 3.15Å; H202-F206 PolarHBondContact O-N 3.24Å |
| 203 | L | 88.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 176.2 | -68 | -175.6 | 0 | 0 | 0 | 112.3 | F199 F200 F201 F206 A207 | F199-L203 HydrophobicContact CD1-CD1 3.9Å; F199-L203 HydrophobicContact CD1-CG 4.27Å; F199-L203 HydrophobicContact CE1-CD1 3.41Å; F199-L203 VanDerWaalsContact CE1-CD1 3.41Å; F199-L203 HydrophobicContact CE1-CD2 4.39Å; F199-L203 HydrophobicContact CE1-CG 3.96Å; F199-L203 HydrophobicContact CE2-CD2 4.29Å; F199-L203 HydrophobicContact CE2-CG 4.41Å; F199-L203 HydrophobicContact CZ-CD1 3.84Å; F199-L203 HydrophobicContact CZ-CD2 3.98Å; F199-L203 HydrophobicContact CZ-CG 4.02Å; F199-L203 WeakPolarHBondContact O-CG 3.46Å; F199-L203 PolarHBondContact O-N 3.24Å; F200-L203 HydrophobicContact CD1-CD1 4.5Å; F200-L203 PolarHBondContact O-N 2.9Å; F201-L203 VanDerWaalsContact C-N 3.31Å; F201-L203 PolarHBondContact O-N 3.34Å; L203-F206 PolarHBondContact O-N 3.09Å; L203-A207 WeakPolarHBondContact O-CB 2.88Å; L203-A207 PolarHBondContact O-N 3.48Å |
| 204 | I | 91.4 | Very high | 82.5 | Confident | 109 Ų | 109 | 96 Ų | 96 | 56% | 0.559 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 177.9 | -69 | 163 | 0 | 0 | 0 | 110.4 | F200 F201 F208 | F200-I204 WeakPolarHBondContact O-CB 3.1Å; F200-I204 WeakPolarHBondContact O-CD1 3.2Å; F200-I204 WeakPolarHBondContact O-CG1 3.46Å; F200-I204 PolarHBondContact O-N 2.75Å; F201-I204 PolarHBondContact O-N 3.21Å; I204-F208 WeakPolarHBondContact O-CB 3.16Å; I204-F208 PolarHBondContact O-N 3.09Å |
| 205 | I | 90.3 | Very high | 83.6 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.4 | -68.2 | 163.4 | 0 | 0 | 0 | 109.9 | F201 F208 C209 | F201-I205 VanDerWaalsContact O-CB 3.25Å; F201-I205 WeakPolarHBondContact O-CB 3.31Å; F201-I205 WeakPolarHBondContact O-CD1 3.3Å; F201-I205 WeakPolarHBondContact O-CG1 3.22Å; F201-I205 PolarHBondContact O-N 3.34Å; I205-F208 PolarHBondContact O-N 3.29Å; I205-C209 VanDerWaalsContact O-CB 3.32Å; I205-C209 WeakPolarHBondContact O-CB 3.38Å; I205-C209 PolarHBondContact O-N 3.07Å; I205-C209 PolarHBondContact O-SG 3.49Å |
| 206 | F | 92.2 | Very high | 84.3 | Confident | 135 Ų | 135 | 92 Ų | 92 | 59% | 0.592 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -45.7 | 179.5 | -175.2 | -108.1 | 0 | 0 | 0 | 111.9 | H202 L203 F208 C209 I210 | H202-F206 WeakPolarHBondContact O-CB 3.15Å; H202-F206 PolarHBondContact O-N 3.24Å; L203-F206 PolarHBondContact O-N 3.09Å; F206-F208 VanDerWaalsContact C-N 3.33Å; F206-F208 PolarHBondContact O-N 2.77Å; F206-C209 WeakPolarHBondContact O-CB 3.38Å; F206-C209 PolarHBondContact O-N 2.71Å; F206-I210 HydrophobicContact CD1-CD1 3.65Å; F206-I210 HydrophobicContact CE1-CD1 3.26Å; F206-I210 HydrophobicContact CE1-CG1 4.39Å; F206-I210 HydrophobicContact CE2-CD1 4.25Å; F206-I210 HydrophobicContact CG-CD1 4.3Å; F206-I210 HydrophobicContact CZ-CD1 3.61Å; F206-I210 HydrophobicContact CZ-CG1 4.43Å; F206-I210 WeakPolarHBondContact O-CG1 2.93Å; F206-I210 PolarHBondContact O-N 3.18Å |
| 207 | A | 91.7 | Very high | 84.8 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L203 I210 A211 | L203-A207 WeakPolarHBondContact O-CB 2.88Å; L203-A207 PolarHBondContact O-N 3.48Å; A207-I210 PolarHBondContact O-N 3.4Å; A207-A211 WeakPolarHBondContact O-CB 3.39Å; A207-A211 PolarHBondContact O-N 2.75Å |
| 208 | F | 90.3 | Very high | 85 | Confident | 136 Ų | 136 | 100.4 Ų | 100.4 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 174.8 | -179.3 | -102.1 | 0 | 0 | 0 | 112.1 | I204 I205 F206 I210 A211 V212 | I204-F208 WeakPolarHBondContact O-CB 3.16Å; I204-F208 PolarHBondContact O-N 3.09Å; I205-F208 PolarHBondContact O-N 3.29Å; F206-F208 VanDerWaalsContact C-N 3.33Å; F206-F208 PolarHBondContact O-N 2.77Å; F208-I210 VanDerWaalsContact C-N 3.35Å; F208-I210 PolarHBondContact O-N 3.32Å; F208-A211 PolarHBondContact O-N 3.47Å; F208-V212 HydrophobicContact CD1-CG2 4.19Å; F208-V212 HydrophobicContact CD2-CG2 4.49Å; F208-V212 HydrophobicContact CE1-CG2 3.73Å; F208-V212 HydrophobicContact CE2-CG2 4.06Å; F208-V212 HydrophobicContact CZ-CG2 3.67Å; F208-V212 WeakPolarHBondContact O-CG2 3.32Å; F208-V212 PolarHBondContact O-N 3.11Å |
| 209 | C | 86.3 | Confident | 84.3 | Confident | 63 Ų | 63 | 98.3 Ų | 98.3 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 174.1 | -79.7 | 0 | 0 | 0 | 0 | 110.9 | I205 F206 A211 V212 V213 | I205-C209 VanDerWaalsContact O-CB 3.32Å; I205-C209 WeakPolarHBondContact O-CB 3.38Å; I205-C209 PolarHBondContact O-N 3.07Å; I205-C209 PolarHBondContact O-SG 3.49Å; F206-C209 WeakPolarHBondContact O-CB 3.38Å; F206-C209 PolarHBondContact O-N 2.71Å; C209-A211 VanDerWaalsContact C-N 3.35Å; C209-V212 PolarHBondContact O-N 3.31Å; C209-V213 VanDerWaalsContact O-CB 3.31Å; C209-V213 WeakPolarHBondContact O-CB 3.29Å; C209-V213 WeakPolarHBondContact O-CG2 3.5Å; C209-V213 PolarHBondContact O-N 3.07Å |
| 210 | I | 88.6 | Confident | 83.7 | Confident | 89 Ų | 89 | 102.7 Ų | 102.7 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.2 | -69.6 | 169.5 | 0 | 0 | 0 | 110.7 | F206 A207 F208 V213 Y214 | F206-I210 HydrophobicContact CD1-CD1 3.65Å; F206-I210 HydrophobicContact CE1-CD1 3.26Å; F206-I210 HydrophobicContact CE1-CG1 4.39Å; F206-I210 HydrophobicContact CE2-CD1 4.25Å; F206-I210 HydrophobicContact CG-CD1 4.3Å; F206-I210 HydrophobicContact CZ-CD1 3.61Å; F206-I210 HydrophobicContact CZ-CG1 4.43Å; F206-I210 WeakPolarHBondContact O-CG1 2.93Å; F206-I210 PolarHBondContact O-N 3.18Å; A207-I210 PolarHBondContact O-N 3.4Å; F208-I210 VanDerWaalsContact C-N 3.35Å; F208-I210 PolarHBondContact O-N 3.32Å; I210-V213 CarbonylContact O-C 3.59Å; I210-V213 PolarHBondContact O-N 3.13Å; I210-Y214 WeakPolarHBondContact O-CA 3.48Å; I210-Y214 WeakPolarHBondContact O-CB 3.45Å; I210-Y214 PolarHBondContact O-N 3.02Å |
| 211 | A | 86.4 | Confident | 82.9 | Confident | 42 Ų | 42 | 107.3 Ų | 107.3 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A207 F208 C209 Y214 I215 | A207-A211 WeakPolarHBondContact O-CB 3.39Å; A207-A211 PolarHBondContact O-N 2.75Å; F208-A211 PolarHBondContact O-N 3.47Å; C209-A211 VanDerWaalsContact C-N 3.35Å; A211-Y214 PolarHBondContact O-N 3.3Å; A211-I215 WeakPolarHBondContact O-CB 3.48Å; A211-I215 VanDerWaalsContact O-CD1 3.27Å; A211-I215 WeakPolarHBondContact O-CD1 3.38Å; A211-I215 WeakPolarHBondContact O-CG1 3.42Å; A211-I215 PolarHBondContact O-N 3.38Å |
| 212 | V | 82.8 | Confident | 82 | Confident | 59 Ų | 59 | 108.8 Ų | 108.8 | 36% | 0.358 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -54.3 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 109 | F208 C209 Y214 I215 T216 | F208-V212 HydrophobicContact CD1-CG2 4.19Å; F208-V212 HydrophobicContact CD2-CG2 4.49Å; F208-V212 HydrophobicContact CE1-CG2 3.73Å; F208-V212 HydrophobicContact CE2-CG2 4.06Å; F208-V212 HydrophobicContact CZ-CG2 3.67Å; F208-V212 WeakPolarHBondContact O-CG2 3.32Å; F208-V212 PolarHBondContact O-N 3.11Å; C209-V212 PolarHBondContact O-N 3.31Å; V212-Y214 VanDerWaalsContact C-N 3.27Å; V212-Y214 PolarHBondContact O-N 3.42Å; V212-I215 PolarHBondContact O-N 3.01Å; V212-T216 HydrophobicContact CG1-CG2 3.66Å; V212-T216 WeakPolarHBondContact O-CB 3.28Å; V212-T216 WeakPolarHBondContact O-CG2 3.25Å; V212-T216 PolarHBondContact O-N 3.16Å; V212-T216 PolarHBondContact O-OG1 2.99Å; V212-T216 VanDerWaalsContact O-OG1 3.05Å |
| 213 | V | 82.9 | Confident | 80.5 | Confident | 90 Ų | 90 | 105.4 Ų | 105.4 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53.1 | -46 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | C209 I210 T216 Y217 | C209-V213 VanDerWaalsContact O-CB 3.31Å; C209-V213 WeakPolarHBondContact O-CB 3.29Å; C209-V213 WeakPolarHBondContact O-CG2 3.5Å; C209-V213 PolarHBondContact O-N 3.07Å; I210-V213 CarbonylContact O-C 3.59Å; I210-V213 PolarHBondContact O-N 3.13Å; V213-T216 VanDerWaalsContact CA-OG1 3.25Å; V213-T216 WeakPolarHBondContact CA-OG1 3.31Å; V213-T216 CarbonylContact O-C 3.6Å; V213-T216 PolarHBondContact O-N 3.43Å; V213-T216 PolarHBondContact O-OG1 3.37Å; V213-Y217 WeakPolarHBondContact O-CA 3.21Å; V213-Y217 WeakPolarHBondContact O-CB 3.28Å; V213-Y217 PolarHBondContact O-N 3.42Å |
| 214 | Y | 85.3 | Confident | 79 | Confident | 139 Ų | 139 | 109.2 Ų | 109.2 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -51.9 | 178.2 | 178.9 | -102.6 | 0 | 0 | 0 | 112.1 | I210 A211 V212 T216 Y217 H218 | I210-Y214 WeakPolarHBondContact O-CA 3.48Å; I210-Y214 WeakPolarHBondContact O-CB 3.45Å; I210-Y214 PolarHBondContact O-N 3.02Å; A211-Y214 PolarHBondContact O-N 3.3Å; V212-Y214 VanDerWaalsContact C-N 3.27Å; V212-Y214 PolarHBondContact O-N 3.42Å; Y214-T216 PolarHBondContact O-N 3.4Å; Y214-Y217 PolarHBondContact O-N 3.27Å; Y214-H218 AromaticContact CE2-CD2 3.61Å; Y214-H218 AromaticContact CZ-CD2 3.6Å; Y214-H218 WeakPolarHBondContact O-CB 3.33Å; Y214-H218 PolarHBondContact O-N 2.95Å |
| 215 | I | 81 | Confident | 77.4 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -39.8 | 175.2 | -66.7 | 159.3 | 0 | 0 | 0 | 110 | A211 V212 N219 | A211-I215 WeakPolarHBondContact O-CB 3.48Å; A211-I215 VanDerWaalsContact O-CD1 3.27Å; A211-I215 WeakPolarHBondContact O-CD1 3.38Å; A211-I215 WeakPolarHBondContact O-CG1 3.42Å; A211-I215 PolarHBondContact O-N 3.38Å; V212-I215 PolarHBondContact O-N 3.01Å; I215-N219 WeakPolarHBondContact O-CB 3.08Å; I215-N219 PolarHBondContact O-N 2.96Å; I215-N219 PolarHBondContact O-ND2 2.84Å |
| 216 | T | 71.9 | Confident | 75.9 | Confident | 38 Ų | 38 | 109.6 Ų | 109.6 | 23% | 0.233 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -77.6 | -31.1 | -175.5 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | V212 V213 Y214 I223 | V212-T216 HydrophobicContact CG1-CG2 3.66Å; V212-T216 WeakPolarHBondContact O-CB 3.28Å; V212-T216 WeakPolarHBondContact O-CG2 3.25Å; V212-T216 PolarHBondContact O-N 3.16Å; V212-T216 PolarHBondContact O-OG1 2.99Å; V212-T216 VanDerWaalsContact O-OG1 3.05Å; V213-T216 VanDerWaalsContact CA-OG1 3.25Å; V213-T216 WeakPolarHBondContact CA-OG1 3.31Å; V213-T216 CarbonylContact O-C 3.6Å; V213-T216 PolarHBondContact O-N 3.43Å; V213-T216 PolarHBondContact O-OG1 3.37Å; Y214-T216 PolarHBondContact O-N 3.4Å; T216-I223 VanDerWaalsContact CA-CD1 3.43Å; T216-I223 VanDerWaalsContact CB-CB 3.45Å; T216-I223 VanDerWaalsContact CB-CG1 3.42Å; T216-I223 VanDerWaalsContact CB-CG2 3.42Å; T216-I223 HydrophobicContact CG2-CB 3.87Å; T216-I223 HydrophobicContact CG2-CD1 4.37Å; T216-I223 HydrophobicContact CG2-CG1 3.52Å; T216-I223 HydrophobicContact CG2-CG2 3.5Å; T216-I223 VanDerWaalsContact CG2-CG2 3.5Å |
| 217 | Y | 75.4 | Confident | 74.3 | Confident | 181 Ų | 181 | 108.7 Ų | 108.7 | 71% | 0.71 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.4 | -46.1 | 176.9 | 173.8 | -96.1 | 0 | 0 | 0 | 110.8 | V213 Y214 N219 K220 | V213-Y217 WeakPolarHBondContact O-CA 3.21Å; V213-Y217 WeakPolarHBondContact O-CB 3.28Å; V213-Y217 PolarHBondContact O-N 3.42Å; Y214-Y217 PolarHBondContact O-N 3.27Å; Y217-N219 PolarHBondContact O-N 2.98Å; Y217-K220 PolarHBondContact O-N 3.39Å |
| 218 | H | 77.9 | Confident | 72.6 | Confident | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -28.5 | 176.5 | -121.7 | -80.8 | 0 | 0 | 0 | 112 | Y214 K220 | Y214-H218 AromaticContact CE2-CD2 3.61Å; Y214-H218 AromaticContact CZ-CD2 3.6Å; Y214-H218 WeakPolarHBondContact O-CB 3.33Å; Y214-H218 PolarHBondContact O-N 2.95Å; H218-K220 PolarHBondContact O-N 3.38Å |
| 219 | N | 69.5 | Low | 70.7 | Confident | 73 Ų | 73 | 104.1 Ų | 104.1 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -91.9 | 69.1 | 173.7 | -75.2 | -68.1 | 0 | 0 | 0 | 110.9 | I215 Y217 R221 K222 I223 | I215-N219 WeakPolarHBondContact O-CB 3.08Å; I215-N219 PolarHBondContact O-N 2.96Å; I215-N219 PolarHBondContact O-ND2 2.84Å; Y217-N219 PolarHBondContact O-N 2.98Å; N219-R221 PolarHBondContact O-N 3.36Å; N219-K222 HydrophobicContact CB-CB 4.28Å; N219-K222 PolarHBondContact O-N 3.46Å; N219-I223 HydrophobicContact CB-CD1 3.34Å |
| 220 | K | 69.1 | Low | 69.4 | Low | 208 Ų | 208 | 111.8 Ų | 111.8 | 90% | 0.904 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42 | -14.6 | -172.5 | -155.4 | 177.9 | -176.1 | -175.7 | 0 | 117.5 | Y217 H218 | Y217-K220 PolarHBondContact O-N 3.39Å; H218-K220 PolarHBondContact O-N 3.38Å |
| 221 | R | 65.1 | Low | 67.6 | Low | 217 Ų | 217 | 115.5 Ų | 115.5 | 82% | 0.819 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.1 | -7.5 | 178.9 | -155.8 | 172.3 | -176 | 166.4 | 1.3 | 115.8 | N219 | N219-R221 PolarHBondContact O-N 3.36Š|
| 222 | K | 65.4 | Low | 65.9 | Low | 151 Ų | 151 | 120.2 Ų | 120.2 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -17.6 | -168.8 | -59.1 | -172.4 | 86.6 | 176.8 | 0 | 114.9 | N219 | N219-K222 HydrophobicContact CB-CB 4.28Å; N219-K222 PolarHBondContact O-N 3.46Å |
| 223 | I | 60 | Low | 64.4 | Low | 27 Ų | 27 | 127.2 Ų | 127.2 | 14% | 0.138 | 57% | 0.571 | C | S | . | * | S | Bend | trans | -104.2 | -23.9 | -176.8 | -63.1 | 78.8 | 0 | 0 | 0 | 114.1 | T216 N219 L225 L226 V227 | T216-I223 VanDerWaalsContact CA-CD1 3.43Å; T216-I223 VanDerWaalsContact CB-CB 3.45Å; T216-I223 VanDerWaalsContact CB-CG1 3.42Å; T216-I223 VanDerWaalsContact CB-CG2 3.42Å; T216-I223 HydrophobicContact CG2-CB 3.87Å; T216-I223 HydrophobicContact CG2-CD1 4.37Å; T216-I223 HydrophobicContact CG2-CG1 3.52Å; T216-I223 HydrophobicContact CG2-CG2 3.5Å; T216-I223 VanDerWaalsContact CG2-CG2 3.5Å; N219-I223 HydrophobicContact CB-CD1 3.34Å; I223-L225 PolarHBondContact O-N 3.02Å; I223-L226 HydrophobicContact CG1-CD1 4.15Å; I223-L226 HydrophobicContact CG2-CB 4.22Å; I223-L226 PolarHBondContact O-N 3.03Å; I223-V227 PolarHBondContact O-N 3.48Å |
| 224 | F | 56.8 | Low | 63.1 | Low | 158 Ų | 158 | 129 Ų | 129 | 69% | 0.693 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -52.7 | -40.3 | 165 | -172.3 | -106.1 | 0 | 0 | 0 | 110.1 | L226 Q228 | F224-L226 PolarHBondContact O-N 3.47Å; F224-Q228 WeakPolarHBondContact O-CB 3.25Å; F224-Q228 PolarHBondContact O-N 3.19Å |
| 225 | L | 56.1 | Low | 61.7 | Low | 102 Ų | 102 | 124.7 Ų | 124.7 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.5 | -20 | 171.3 | -68.8 | 173.7 | 0 | 0 | 0 | 115.1 | I223 S229 | I223-L225 PolarHBondContact O-N 3.02Å; L225-S229 VanDerWaalsContact O-CA 3.22Å; L225-S229 WeakPolarHBondContact O-CA 3.34Å; L225-S229 WeakPolarHBondContact O-CB 3.26Å; L225-S229 PolarHBondContact O-N 3.5Å; L225-S229 PolarHBondContact O-OG 3.26Å |
| 226 | L | 59.3 | Low | 60.5 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 59% | 0.586 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.8 | -43.1 | 176.2 | -103.5 | 152.4 | 0 | 0 | 0 | 111.5 | I223 F224 Q228 S229 R230 | I223-L226 HydrophobicContact CG1-CD1 4.15Å; I223-L226 HydrophobicContact CG2-CB 4.22Å; I223-L226 PolarHBondContact O-N 3.03Å; F224-L226 PolarHBondContact O-N 3.47Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-S229 WeakPolarHBondContact CA-OG 3.22Å; L226-S229 PolarHBondContact O-OG 3.06Å; L226-R230 PolarHBondContact O-N 2.9Å |
| 227 | V | 59.2 | Low | 59.6 | Low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.2 | -38.6 | 172.6 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | I223 | I223-V227 PolarHBondContact O-N 3.48Å |
| 228 | Q | 55.5 | Low | 58.4 | Low | 49 Ų | 49 | 126.1 Ų | 126.1 | 23% | 0.229 | 61% | 0.609 | C | S | . | * | H | α-helix | trans | -79.4 | -35 | 177.8 | -166.6 | 174.5 | 13.8 | 0 | 0 | 112.9 | F224 L226 R230 K231 W232 | F224-Q228 WeakPolarHBondContact O-CB 3.25Å; F224-Q228 PolarHBondContact O-N 3.19Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; Q228-R230 VanDerWaalsContact C-N 3.29Å; Q228-R230 PolarHBondContact O-N 2.96Å; Q228-K231 CarbonylContact O-C 3.57Å; Q228-K231 WeakPolarHBondContact O-CA 3.4Å; Q228-K231 WeakPolarHBondContact O-CB 3.1Å; Q228-K231 PolarHBondContact O-N 3.16Å; Q228-W232 VanDerWaalsContact CG-CD1 3.42Å; Q228-W232 HydrophobicContact CG-CD2 4.08Å; Q228-W232 HydrophobicContact CG-CG 4.01Å; Q228-W232 HydrophobicContact CG-CZ2 4.24Å; Q228-W232 PolarHBondContact O-N 3.18Å |
| 229 | S | 51.4 | Low | 57.4 | Low | 48 Ų | 48 | 129 Ų | 129 | 34% | 0.336 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.5 | -26.9 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 113 | L225 L226 K231 W232 R233 | L225-S229 VanDerWaalsContact O-CA 3.22Å; L225-S229 WeakPolarHBondContact O-CA 3.34Å; L225-S229 WeakPolarHBondContact O-CB 3.26Å; L225-S229 PolarHBondContact O-N 3.5Å; L225-S229 PolarHBondContact O-OG 3.26Å; L226-S229 WeakPolarHBondContact CA-OG 3.22Å; L226-S229 PolarHBondContact O-OG 3.06Å; S229-K231 PolarHBondContact O-N 3.41Å; S229-W232 PolarHBondContact O-N 3.42Å; S229-R233 WeakPolarHBondContact O-CB 3.28Å; S229-R233 PolarHBondContact O-N 3.06Å |
| 230 | R | 58.5 | Low | 56.6 | Low | 224 Ų | 224 | 131.2 Ų | 131.2 | 85% | 0.845 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61 | -30.1 | 170.3 | -134.8 | -175.7 | -158 | -157.5 | 5.6 | 112 | L226 Q228 | L226-R230 PolarHBondContact O-N 2.9Å; Q228-R230 VanDerWaalsContact C-N 3.29Å; Q228-R230 PolarHBondContact O-N 2.96Å |
| 231 | K | 49.3 | Very low | 55.9 | Low | 167 Ų | 167 | 125.8 Ų | 125.8 | 73% | 0.726 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -90.7 | -27.7 | 176.3 | -177.2 | 75.7 | 75 | 170.7 | 0 | 112.5 | Q228 S229 | Q228-K231 CarbonylContact O-C 3.57Å; Q228-K231 WeakPolarHBondContact O-CA 3.4Å; Q228-K231 WeakPolarHBondContact O-CB 3.1Å; Q228-K231 PolarHBondContact O-N 3.16Å; S229-K231 PolarHBondContact O-N 3.41Å |
| 232 | W | 50.7 | Low | 55.8 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -94.5 | -18.9 | -171.7 | -70.4 | 41.9 | 0 | 0 | 0 | 114.2 | Q228 S229 D234 G235 | Q228-W232 VanDerWaalsContact CG-CD1 3.42Å; Q228-W232 HydrophobicContact CG-CD2 4.08Å; Q228-W232 HydrophobicContact CG-CG 4.01Å; Q228-W232 HydrophobicContact CG-CZ2 4.24Å; Q228-W232 PolarHBondContact O-N 3.18Å; S229-W232 PolarHBondContact O-N 3.42Å; W232-D234 PolarHBondContact O-N 2.95Å; W232-G235 PolarHBondContact O-N 2.94Å |
| 233 | R | 52.4 | Low | 55.3 | Low | 206 Ų | 206 | 126 Ų | 126 | 78% | 0.777 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -27.5 | 177 | -120.4 | 172.5 | 57.1 | -172.5 | -3.5 | 113.6 | S229 | S229-R233 WeakPolarHBondContact O-CB 3.28Å; S229-R233 PolarHBondContact O-N 3.06Å |
| 234 | D | 55.3 | Low | 55.4 | Low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -9.9 | -179.7 | -61.8 | -27.8 | 0 | 0 | 0 | 113.2 | W232 S238 | W232-D234 PolarHBondContact O-N 2.95Å; D234-S238 PolarHBondContact O-OG 2.84Å |
| 235 | G | 56.8 | Low | 55.8 | Low | 49 Ų | 49 | 135.3 Ų | 135.3 | 51% | 0.505 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | -16.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | W232 | W232-G235 PolarHBondContact O-N 2.94Š|
| 236 | L | 54.7 | Low | 56.1 | Low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -95.3 | -6.6 | -177.3 | -72.2 | 168.7 | 0 | 0 | 0 | 114.1 | ||
| 237 | C | 53 | Low | 56.4 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -124.3 | 18.6 | -179.9 | -157.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 238 | S | 51.5 | Low | 56.6 | Low | 84 Ų | 84 | 142.1 Ų | 142.1 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -107.3 | -10.1 | 175.8 | 40.8 | 0 | 0 | 0 | 0 | 113.2 | D234 T240 | D234-S238 PolarHBondContact O-OG 2.84Å; S238-T240 VanDerWaalsContact C-N 3.27Å; S238-T240 PolarHBondContact O-N 2.67Å |
| 239 | K | 55.3 | Low | 56.8 | Low | 186 Ų | 186 | 142.1 Ų | 142.1 | 81% | 0.809 | 69% | 0.689 | S | S | * | * | trans | -89.1 | 75.8 | 162.1 | -156.6 | 158.4 | -177.1 | 147.7 | 0 | 107.4 | V241 | K239-V241 PolarHBondContact O-N 3.32Š| ||
| 240 | T | 53.2 | Low | 57.2 | Low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -48.1 | 103 | 149.1 | 48.6 | 0 | 0 | 0 | 0 | 104.7 | S238 E242 | S238-T240 VanDerWaalsContact C-N 3.27Å; S238-T240 PolarHBondContact O-N 2.67Å; T240-E242 PolarHBondContact O-N 3.06Å | ||
| 241 | V | 55.5 | Low | 57.2 | Low | 93 Ų | 93 | 139.3 Ų | 139.3 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | trans | -44.3 | 103.4 | 160.8 | 166.6 | 0 | 0 | 0 | 0 | 103.7 | K239 Y243 | K239-V241 PolarHBondContact O-N 3.32Å; V241-Y243 HydrophobicContact CB-CE2 4.46Å; V241-Y243 HydrophobicContact CG1-CD1 4.37Å; V241-Y243 HydrophobicContact CG1-CD2 4.12Å; V241-Y243 HydrophobicContact CG1-CE2 4.26Å; V241-Y243 HydrophobicContact CG1-CG 4.18Å; V241-Y243 WeakPolarHBondContact O-CD2 3.36Å; V241-Y243 PolarHBondContact O-N 3.03Å | ||
| 242 | E | 61.3 | Low | 57.9 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | trans | -60.4 | 98 | 160.6 | -178.9 | 173.6 | -168.2 | 0 | 0 | 102.4 | T240 H244 | T240-E242 PolarHBondContact O-N 3.06Å; E242-H244 PolarHBondContact O-N 3.03Å | ||
| 243 | Y | 55.3 | Low | 58.6 | Low | 196 Ų | 196 | 136.1 Ų | 136.1 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -60.6 | 94.6 | 170 | -79.7 | -89.2 | 0 | 0 | 0 | 104.4 | V241 R245 | V241-Y243 HydrophobicContact CB-CE2 4.46Å; V241-Y243 HydrophobicContact CG1-CD1 4.37Å; V241-Y243 HydrophobicContact CG1-CD2 4.12Å; V241-Y243 HydrophobicContact CG1-CE2 4.26Å; V241-Y243 HydrophobicContact CG1-CG 4.18Å; V241-Y243 WeakPolarHBondContact O-CD2 3.36Å; V241-Y243 PolarHBondContact O-N 3.03Å; Y243-R245 PolarHBondContact O-N 2.76Å | ||
| 244 | H | 63 | Low | 59.1 | Low | 162 Ų | 162 | 131 Ų | 131 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | trans | -63.2 | 94.7 | 157.3 | -167.4 | -72.8 | 0 | 0 | 0 | 104 | E242 L246 | E242-H244 PolarHBondContact O-N 3.03Å; H244-L246 PolarHBondContact O-N 2.94Å | ||
| 245 | R | 64.1 | Low | 59.3 | Low | 219 Ų | 219 | 130.2 Ų | 130.2 | 83% | 0.826 | 69% | 0.687 | S | S | * | * | trans | -50.1 | 121.7 | 173.4 | -73.6 | -166.8 | 158.7 | -171.9 | -5.2 | 105.3 | Y243 D247 | Y243-R245 PolarHBondContact O-N 2.76Å; R245-D247 PolarHBondContact O-N 3.11Å | ||
| 246 | L | 63.9 | Low | 59.5 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | trans | -51.1 | 113.4 | 172.6 | -131.9 | 72.6 | 0 | 0 | 0 | 105.1 | H244 Q248 | H244-L246 PolarHBondContact O-N 2.94Å; L246-Q248 PolarHBondContact O-N 2.96Å | ||
| 247 | D | 64.1 | Low | 59.8 | Low | 135 Ų | 135 | 129.2 Ų | 129.2 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | trans | -53 | 119.2 | 178.4 | -166.5 | -0.8 | 0 | 0 | 0 | 105.7 | R245 N249 | R245-D247 PolarHBondContact O-N 3.11Å; D247-N249 PolarHBondContact O-N 2.96Å | ||
| 248 | Q | 63.1 | Low | 60 | Low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | trans | -76.1 | 56.6 | -176.5 | -83.9 | -174.9 | -25.1 | 0 | 0 | 108.9 | L246 V250 | L246-Q248 PolarHBondContact O-N 2.96Å; Q248-V250 PolarHBondContact O-N 3.4Å | ||
| 249 | N | 59.8 | Low | 60.5 | Low | 49 Ų | 49 | 134.3 Ų | 134.3 | 26% | 0.262 | 68% | 0.68 | S | S | . | * | trans | -80.8 | 79 | 178.4 | -166.2 | 34.2 | 0 | 0 | 0 | 108.1 | D247 N251 E252 A253 | D247-N249 PolarHBondContact O-N 2.96Å; N249-N251 PolarHBondContact ND2-OD1 3.41Å; N249-N251 PolarHBondContact O-N 3.49Å; N249-N251 PolarHBondContact OD1-ND2 3.01Å; N249-N251 PolarHBondContact OD1-OD1 3.04Å; N249-E252 HydrophobicContact CB-CB 4.32Å; N249-E252 VanDerWaalsContact ND2-CB 3.33Å; N249-E252 WeakPolarHBondContact ND2-CB 3.26Å; N249-E252 PolarHBondContact ND2-OE2 3.49Å; N249-E252 PolarHBondContact O-N 3.36Å; N249-A253 PolarHBondContact O-N 2.94Å | ||
| 250 | V | 61.1 | Low | 60.7 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -55.9 | -21.6 | 178.9 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | Q248 E252 M254 | Q248-V250 PolarHBondContact O-N 3.4Å; V250-E252 VanDerWaalsContact C-N 3.34Å; V250-M254 PolarHBondContact O-N 3.43Å; V250-M254 VanDerWaalsContact O-N 3.14Å |
| 251 | N | 58.2 | Low | 61 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 58% | 0.578 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.6 | -14.8 | 175.9 | 63.3 | 51.9 | 0 | 0 | 0 | 114 | N249 | N249-N251 PolarHBondContact ND2-OD1 3.41Å; N249-N251 PolarHBondContact O-N 3.49Å; N249-N251 PolarHBondContact OD1-ND2 3.01Å; N249-N251 PolarHBondContact OD1-OD1 3.04Å |
| 252 | E | 63.4 | Low | 61.2 | Low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -94.8 | -33.5 | 174.2 | -177.2 | 171.6 | -171.6 | 0 | 0 | 111.8 | N249 V250 | N249-E252 HydrophobicContact CB-CB 4.32Å; N249-E252 VanDerWaalsContact ND2-CB 3.33Å; N249-E252 WeakPolarHBondContact ND2-CB 3.26Å; N249-E252 PolarHBondContact ND2-OE2 3.49Å; N249-E252 PolarHBondContact O-N 3.36Å; V250-E252 VanDerWaalsContact C-N 3.34Å |
| 253 | A | 65.4 | Low | 61.1 | Low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -80.9 | -17.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N249 | N249-A253 PolarHBondContact O-N 2.94Å |
| 254 | M | 63.2 | Low | 61.3 | Low | 100 Ų | 100 | 131.9 Ų | 131.9 | 49% | 0.493 | 68% | 0.675 | S | S | . | * | trans | -136 | 88 | 174.5 | -81.6 | 179 | 63.3 | 0 | 0 | 111 | V250 S256 L257 | V250-M254 PolarHBondContact O-N 3.43Å; V250-M254 VanDerWaalsContact O-N 3.14Å; M254-S256 PolarHBondContact O-N 3.01Å; M254-S256 VanDerWaalsContact O-N 3.11Å; M254-L257 HydrophobicContact CE-CD1 3.67Å; M254-L257 PolarHBondContact O-N 3.44Å | ||
| 255 | P | 59 | Low | 60.6 | Low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -65.7 | -14.4 | 178.3 | 25 | -32.6 | 0 | 0 | 0 | 113.4 | L257 | P255-L257 VanDerWaalsContact C-N 3.31Å; P255-L257 PolarHBondContact O-N 2.78Å |
| 256 | S | 60.9 | Low | 60.5 | Low | 77 Ų | 77 | 133.1 Ų | 133.1 | 54% | 0.538 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -74.6 | -13.8 | 179.5 | 55 | 0 | 0 | 0 | 0 | 114.5 | M254 K258 I259 | M254-S256 PolarHBondContact O-N 3.01Å; M254-S256 VanDerWaalsContact O-N 3.11Å; S256-K258 VanDerWaalsContact C-N 3.33Å; S256-I259 WeakPolarHBondContact O-CG2 3.28Å |
| 257 | L | 60.4 | Low | 60.3 | Low | 98 Ų | 98 | 131.7 Ų | 131.7 | 51% | 0.513 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -81.7 | -11.1 | -179.7 | -128 | 84.3 | 0 | 0 | 0 | 113.7 | M254 P255 N261 | M254-L257 HydrophobicContact CE-CD1 3.67Å; M254-L257 PolarHBondContact O-N 3.44Å; P255-L257 VanDerWaalsContact C-N 3.31Å; P255-L257 PolarHBondContact O-N 2.78Å; L257-N261 PolarHBondContact O-ND2 3.48Å |
| 258 | K | 58.2 | Low | 60.1 | Low | 178 Ų | 178 | 131.6 Ų | 131.6 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -81.8 | -23.9 | 179.9 | -164.8 | 174.8 | 178.6 | 176.6 | 0 | 113 | S256 T260 | S256-K258 VanDerWaalsContact C-N 3.33Å; K258-T260 VanDerWaalsContact C-N 3.35Å; K258-T260 PolarHBondContact O-N 3.35Å |
| 259 | I | 61.8 | Low | 59.9 | Low | 129 Ų | 129 | 128.8 Ų | 128.8 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -16.7 | -172.7 | -155.4 | 75.3 | 0 | 0 | 0 | 113.6 | S256 | S256-I259 WeakPolarHBondContact O-CG2 3.28Š|
| 260 | T | 59.3 | Low | 59.9 | Low | 91 Ų | 91 | 133.8 Ų | 133.8 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -6.5 | -172.1 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | K258 | K258-T260 VanDerWaalsContact C-N 3.35Å; K258-T260 PolarHBondContact O-N 3.35Å |
| 261 | N | 59.2 | Low | 59.8 | Low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -5.2 | 178.6 | -73.8 | -70.1 | 0 | 0 | 0 | 113.6 | L257 Y263 | L257-N261 PolarHBondContact O-ND2 3.48Å; N261-Y263 VanDerWaalsContact C-N 3.3Å |
| 262 | D | 60.8 | Low | 59.9 | Low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 7 | 177.2 | -70.3 | -24.1 | 0 | 0 | 0 | 113.4 | I264 | D262-I264 PolarHBondContact O-N 2.94Š|
| 263 | Y | 58.6 | Low | 59.7 | Low | 205 Ų | 205 | 136.2 Ų | 136.2 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -88.4 | 90.8 | 170.6 | -83.6 | -87 | 0 | 0 | 0 | 110.5 | N261 | N261-Y263 VanDerWaalsContact C-N 3.3Š| ||
| 264 | I | 59.7 | Low | 59.2 | Low | 160 Ų | 160 | 140.5 Ų | 140.5 | 82% | 0.821 | 71% | 0.708 | S | S | * | * | trans | -85.1 | 126.6 | 165.6 | -55.1 | 173 | 0 | 0 | 0 | 107.2 | D262 | D262-I264 PolarHBondContact O-N 2.94Š| ||
| 265 | F | 49.3 | Very low | 58.8 | Low | 273 Ų | 273 | 144.2 Ų | 144.2 | 100% | 1.197 | 73% | 0.727 | S | S | * | * | trans | -73.4 | 0 | 168.9 | -79.3 | -84.8 | 0 | 0 | 0 | 111.5 |
Retrieved 265 of 265 residues in 66.9 ms
(Link to these results)