| 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 | P | 45.9 | Very low | 43.2 | Very low | 186 Ų | 186 | 181.8 Ų | 181.8 | 100% | 1.208 | 91% | 0.907 | S | S | * | * | 0 | 97.3 | 0 | 23 | -1.3 | 0 | 0 | 0 | 112.2 | |||||
| 2 | A | 40.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 180.2 Ų | 180.2 | 85% | 0.851 | 90% | 0.904 | S | S | * | * | trans | 179.2 | 121.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | K | 41 | Very low | 42.4 | Very low | 212 Ų | 212 | 183.9 Ų | 183.9 | 92% | 0.922 | 90% | 0.901 | S | S | * | * | trans | -78.6 | 142.7 | -178.4 | -80 | 172.2 | 171.7 | 175.2 | 0 | 111.1 | ||||
| 4 | I | 47.1 | Very low | 42.6 | Very low | 165 Ų | 165 | 180.2 Ų | 180.2 | 85% | 0.846 | 90% | 0.897 | S | S | * | * | trans | -118.5 | 130.3 | 165.2 | -58.4 | 174.2 | 0 | 0 | 0 | 108 | ||||
| 5 | P | 53.5 | Low | 42.7 | Very low | 113 Ų | 113 | 175 Ų | 175 | 73% | 0.734 | 89% | 0.894 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 164.3 | -175.7 | 35 | -33.2 | 0 | 0 | 0 | 113.6 | ||
| 6 | P | 50 | Low | 42.9 | Very low | 129 Ų | 129 | 174.8 Ų | 174.8 | 84% | 0.838 | 89% | 0.894 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 154.3 | -168.3 | 34.9 | -33.5 | 0 | 0 | 0 | 115.2 | ||
| 7 | K | 42.7 | Very low | 43.2 | Very low | 215 Ų | 215 | 171.4 Ų | 171.4 | 94% | 0.935 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 138.7 | 179.2 | -77.4 | 179 | 174 | 178.7 | 0 | 113.3 | ||
| 8 | R | 40.6 | Very low | 43.7 | Very low | 253 Ų | 253 | 175.4 Ų | 175.4 | 96% | 0.955 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 144.2 | 173.1 | -89.2 | -177.6 | 175 | -167.8 | -1.3 | 112.7 | ||
| 9 | R | 37.5 | Very low | 44 | Very low | 253 Ų | 253 | 175.7 Ų | 175.7 | 96% | 0.955 | 89% | 0.894 | S | S | * | * | P | Polyproline II helix | trans | -66 | 142.7 | 174 | -75.2 | 175.6 | 170.6 | -179.2 | -4.4 | 112.7 | ||
| 10 | Q | 38.6 | Very low | 44.4 | Very low | 195 Ų | 195 | 171.9 Ų | 171.9 | 91% | 0.911 | 89% | 0.89 | S | S | * | * | trans | -107.2 | 140.2 | 162.8 | -161.1 | 157.9 | -4.2 | 0 | 0 | 108.3 | ||||
| 11 | Q | 37.8 | Very low | 44.8 | Very low | 176 Ų | 176 | 166.8 Ų | 166.8 | 82% | 0.822 | 88% | 0.88 | S | S | * | * | trans | -104.2 | 115.2 | -160.3 | -169.5 | 167.4 | 1.9 | 0 | 0 | 110.1 | ||||
| 12 | D | 35.8 | Very low | 45.1 | Very low | 162 Ų | 162 | 168.9 Ų | 168.9 | 87% | 0.866 | 86% | 0.864 | S | S | * | * | trans | -80 | 135.3 | 173.5 | -77.8 | -36 | 0 | 0 | 0 | 111.5 | ||||
| 13 | R | 40.5 | Very low | 45.4 | Very low | 229 Ų | 229 | 173 Ų | 173 | 86% | 0.864 | 86% | 0.862 | S | S | * | * | trans | -121.2 | 135.2 | 162 | -80 | -172.4 | 175 | -171.8 | -0.4 | 109 | ||||
| 14 | P | 45 | Very low | 45.8 | Very low | 132 Ų | 132 | 165.3 Ų | 165.3 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -87 | 152.3 | -173.4 | 33.5 | -32.9 | 0 | 0 | 0 | 113.7 | ||||
| 15 | A | 43.6 | Very low | 46.1 | Very low | 102 Ų | 102 | 164.4 Ų | 164.4 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -78.6 | 128.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 16 | L | 46 | Very low | 46.2 | Very low | 172 Ų | 172 | 163.8 Ų | 163.8 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | trans | -144.1 | 92.4 | 169.4 | -112.8 | 160 | 0 | 0 | 0 | 108.8 | ||||
| 17 | S | 48.6 | Very low | 46.6 | Very low | 116 Ų | 116 | 160.2 Ų | 160.2 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -178.3 | 67.8 | 161.7 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 18 | R | 51.7 | Low | 47.4 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -142.4 | 68.7 | 164.7 | -70.6 | -167 | -179.3 | -170.1 | 1.2 | 111.3 | ||||
| 19 | L | 49.9 | Very low | 48.6 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -152.1 | 12.4 | 162.4 | -132.6 | 85.8 | 0 | 0 | 0 | 115.9 | ||
| 20 | A | 52 | Low | 50.2 | Low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -109.7 | 1.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 21 | G | 53.3 | Low | 51.8 | Low | 65 Ų | 65 | 131.5 Ų | 131.5 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -91.6 | -7.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 22 | R | 51.4 | Low | 53.7 | Low | 231 Ų | 231 | 124.9 Ų | 124.9 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -94.4 | -16.4 | -171.7 | -93.2 | 179 | 163.8 | 178.8 | -5.7 | 115.6 | ||
| 23 | K | 47.4 | Very low | 56 | Low | 189 Ų | 189 | 122.5 Ų | 122.5 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -88.6 | -29.2 | -179.4 | -67 | -173.9 | 178.1 | -176.6 | 0 | 113.8 | ||
| 24 | G | 49.5 | Very low | 57.9 | Low | 51 Ų | 51 | 116.8 Ų | 116.8 | 53% | 0.526 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -75.7 | -31.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A27 A28 | G24-A27 PolarHBondContact O-N 3.34Å; G24-A28 PolarHBondContact O-N 3.45Å |
| 25 | L | 53.7 | Low | 59.6 | Low | 146 Ų | 146 | 116.3 Ų | 116.3 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.8 | -33.1 | -176.8 | -150.3 | 77.4 | 0 | 0 | 0 | 112.6 | G29 | L25-G29 PolarHBondContact O-N 3.37Å |
| 26 | V | 55.5 | Low | 61.6 | Low | 99 Ų | 99 | 115.6 Ų | 115.6 | 60% | 0.6 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.6 | -39.1 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | G29 V30 | V26-G29 PolarHBondContact O-N 3.31Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.38Å; V26-V30 VanDerWaalsContact O-N 3.13Å |
| 27 | A | 56.7 | Low | 63.6 | Low | 54 Ų | 54 | 112 Ų | 112 | 45% | 0.446 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G24 V30 L31 | G24-A27 PolarHBondContact O-N 3.34Å; A27-V30 PolarHBondContact O-N 3.37Å; A27-L31 PolarHBondContact O-N 3.48Å; A27-L31 VanDerWaalsContact O-N 3.13Å |
| 28 | A | 60.3 | Low | 65.5 | Low | 65 Ų | 65 | 110 Ų | 110 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66.4 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G24 G32 | G24-A28 PolarHBondContact O-N 3.45Å; A28-G32 PolarHBondContact O-N 3.24Å |
| 29 | G | 66.2 | Low | 67.1 | Low | 36 Ų | 36 | 102.3 Ų | 102.3 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.9 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L25 V26 G32 I33 | L25-G29 PolarHBondContact O-N 3.37Å; V26-G29 PolarHBondContact O-N 3.31Å; G29-G32 PolarHBondContact O-N 3.38Å; G29-I33 VanDerWaalsContact O-CG1 3.31Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 3.48Å |
| 30 | V | 71.6 | Confident | 68.9 | Low | 85 Ų | 85 | 98.2 Ų | 98.2 | 52% | 0.515 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.2 | -40.7 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | V26 A27 I33 M34 | V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 3.38Å; V26-V30 VanDerWaalsContact O-N 3.13Å; A27-V30 PolarHBondContact O-N 3.37Å; V30-I33 PolarHBondContact O-N 3.27Å; V30-M34 HydrophobicContact CG1-CG 4.41Å; V30-M34 WeakPolarHBondContact O-CB 3.43Å; V30-M34 VanDerWaalsContact O-CG 3.22Å; V30-M34 WeakPolarHBondContact O-CG 3.19Å; V30-M34 PolarHBondContact O-N 3.25Å |
| 31 | L | 72.3 | Confident | 70.6 | Confident | 128 Ų | 128 | 98.2 Ų | 98.2 | 67% | 0.67 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.1 | -41 | 174.5 | -85.9 | 155 | 0 | 0 | 0 | 112.4 | A27 M34 M35 | A27-L31 PolarHBondContact O-N 3.48Å; A27-L31 VanDerWaalsContact O-N 3.13Å; L31-M34 PolarHBondContact O-N 3.11Å; L31-M35 WeakPolarHBondContact O-CB 3.41Å; L31-M35 PolarHBondContact O-N 3.41Å |
| 32 | G | 77.3 | Confident | 71.9 | Confident | 37 Ų | 37 | 99.4 Ų | 99.4 | 38% | 0.381 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A28 G29 M34 M35 V36 | A28-G32 PolarHBondContact O-N 3.24Å; G29-G32 PolarHBondContact O-N 3.38Å; G32-M34 PolarHBondContact O-N 3.32Å; G32-M35 PolarHBondContact O-N 2.78Å; G32-V36 WeakPolarHBondContact O-CG2 3.16Å; G32-V36 PolarHBondContact O-N 3.38Å |
| 33 | I | 82.8 | Confident | 73.2 | Confident | 111 Ų | 111 | 93 Ų | 93 | 57% | 0.569 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 177.8 | -67.1 | 166 | 0 | 0 | 0 | 110.9 | G29 V30 M35 V36 L37 | G29-I33 VanDerWaalsContact O-CG1 3.31Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 3.48Å; V30-I33 PolarHBondContact O-N 3.27Å; I33-M35 PolarHBondContact O-N 3.11Å; I33-V36 PolarHBondContact O-N 2.78Å; I33-L37 HydrophobicContact CG2-CD1 4Å; I33-L37 HydrophobicContact CG2-CG 4.47Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.45Å |
| 34 | M | 80.8 | Confident | 74.6 | Confident | 109 Ų | 109 | 87.2 Ų | 87.2 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.1 | -73.3 | -64.3 | -66.2 | 0 | 0 | 112.1 | V30 L31 G32 L37 V38 | V30-M34 HydrophobicContact CG1-CG 4.41Å; V30-M34 WeakPolarHBondContact O-CB 3.43Å; V30-M34 VanDerWaalsContact O-CG 3.22Å; V30-M34 WeakPolarHBondContact O-CG 3.19Å; V30-M34 PolarHBondContact O-N 3.25Å; L31-M34 PolarHBondContact O-N 3.11Å; G32-M34 PolarHBondContact O-N 3.32Å; M34-L37 PolarHBondContact O-N 3.32Å; M34-V38 WeakPolarHBondContact O-CB 3.34Å; M34-V38 WeakPolarHBondContact O-CG2 3.45Å; M34-V38 PolarHBondContact O-N 3.36Å |
| 35 | M | 81.8 | Confident | 76 | Confident | 123 Ų | 123 | 89.1 Ų | 89.1 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 177.5 | -159.7 | -169.7 | 100.2 | 0 | 0 | 112.1 | L31 G32 I33 V38 L39 | L31-M35 WeakPolarHBondContact O-CB 3.41Å; L31-M35 PolarHBondContact O-N 3.41Å; G32-M35 PolarHBondContact O-N 2.78Å; I33-M35 PolarHBondContact O-N 3.11Å; M35-V38 PolarHBondContact O-N 3.24Å; M35-L39 HydrophobicContact CE-CD1 3.88Å; M35-L39 WeakPolarHBondContact O-CG 3.45Å; M35-L39 PolarHBondContact O-N 2.92Å |
| 36 | V | 85.5 | Confident | 76.9 | Confident | 86 Ų | 86 | 87 Ų | 87 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 176 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | G32 I33 V38 L39 V40 | G32-V36 WeakPolarHBondContact O-CG2 3.16Å; G32-V36 PolarHBondContact O-N 3.38Å; I33-V36 PolarHBondContact O-N 2.78Å; V36-V38 VanDerWaalsContact C-N 3.32Å; V36-V38 PolarHBondContact O-N 3.3Å; V36-L39 PolarHBondContact O-N 3.41Å; V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 VanDerWaalsContact O-CG2 3.28Å; V36-V40 WeakPolarHBondContact O-CG2 3.33Å; V36-V40 PolarHBondContact O-N 3.35Å |
| 37 | L | 87.6 | Confident | 77.7 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -40 | 176.2 | -74 | 170.7 | 0 | 0 | 0 | 112 | I33 M34 V40 V41 | I33-L37 HydrophobicContact CG2-CD1 4Å; I33-L37 HydrophobicContact CG2-CG 4.47Å; I33-L37 WeakPolarHBondContact O-CG 3.29Å; I33-L37 PolarHBondContact O-N 3.45Å; M34-L37 PolarHBondContact O-N 3.32Å; L37-V40 PolarHBondContact O-N 2.59Å; L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 3.33Å; L37-V41 VanDerWaalsContact O-N 3.16Å |
| 38 | V | 88 | Confident | 78.2 | Confident | 74 Ų | 74 | 89.3 Ų | 89.3 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.6 | 169 | 0 | 0 | 0 | 0 | 110.8 | M34 M35 V36 V41 L42 | M34-V38 WeakPolarHBondContact O-CB 3.34Å; M34-V38 WeakPolarHBondContact O-CG2 3.45Å; M34-V38 PolarHBondContact O-N 3.36Å; M35-V38 PolarHBondContact O-N 3.24Å; V36-V38 VanDerWaalsContact C-N 3.32Å; V36-V38 PolarHBondContact O-N 3.3Å; V38-V41 PolarHBondContact O-N 3.39Å; V38-L42 HydrophobicContact CG1-CD1 3.52Å; V38-L42 WeakPolarHBondContact O-CB 3.15Å; V38-L42 PolarHBondContact O-N 3.49Å |
| 39 | L | 85.1 | Confident | 78.4 | Confident | 81 Ų | 81 | 90.3 Ų | 90.3 | 42% | 0.424 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178.2 | -75 | 168.3 | 0 | 0 | 0 | 112.7 | M35 V36 V41 L42 I43 | M35-L39 HydrophobicContact CE-CD1 3.88Å; M35-L39 WeakPolarHBondContact O-CG 3.45Å; M35-L39 PolarHBondContact O-N 2.92Å; V36-L39 PolarHBondContact O-N 3.41Å; L39-V41 PolarHBondContact O-N 2.73Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-I43 HydrophobicContact CB-CD1 4.38Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 WeakPolarHBondContact O-CD1 3.32Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.91Å |
| 40 | V | 87.8 | Confident | 78 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 58% | 0.582 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -28.1 | 178.9 | 172.9 | 0 | 0 | 0 | 0 | 112 | V36 L37 P44 | V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 VanDerWaalsContact O-CG2 3.28Å; V36-V40 WeakPolarHBondContact O-CG2 3.33Å; V36-V40 PolarHBondContact O-N 3.35Å; L37-V40 PolarHBondContact O-N 2.59Å; V40-P44 WeakPolarHBondContact O-CD 3.22Å; V40-P44 WeakPolarHBondContact O-CG 3.23Å |
| 41 | V | 86.9 | Confident | 76.9 | Confident | 98 Ų | 98 | 91 Ų | 91 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -88.6 | -38.8 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 112 | L37 V38 L39 P44 V45 | L37-V41 WeakPolarHBondContact O-CG2 3.42Å; L37-V41 PolarHBondContact O-N 3.33Å; L37-V41 VanDerWaalsContact O-N 3.16Å; V38-V41 PolarHBondContact O-N 3.39Å; L39-V41 PolarHBondContact O-N 2.73Å; V41-P44 WeakPolarHBondContact O-CD 3.2Å; V41-V45 VanDerWaalsContact O-CG2 3.23Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å |
| 42 | L | 81.9 | Confident | 75.6 | Confident | 90 Ų | 90 | 91.1 Ų | 91.1 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.3 | -38.3 | -177.3 | -111.3 | 127.5 | 0 | 0 | 0 | 113.2 | V38 L39 V45 L46 | V38-L42 HydrophobicContact CG1-CD1 3.52Å; V38-L42 WeakPolarHBondContact O-CB 3.15Å; V38-L42 PolarHBondContact O-N 3.49Å; L39-L42 PolarHBondContact O-N 3.47Å; L42-V45 PolarHBondContact O-N 2.91Å; L42-L46 HydrophobicContact CD2-CD1 3.85Å; L42-L46 HydrophobicContact CD2-CG 4.41Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 2.94Å |
| 43 | I | 79.1 | Confident | 74.3 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.7 | -49.2 | -176.3 | -66.3 | 165.9 | 0 | 0 | 0 | 111.4 | L39 V45 L46 V47 | L39-I43 HydrophobicContact CB-CD1 4.38Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 WeakPolarHBondContact O-CD1 3.32Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 2.91Å; I43-V45 VanDerWaalsContact C-N 3.31Å; I43-V45 PolarHBondContact O-N 2.88Å; I43-L46 PolarHBondContact O-N 2.86Å; I43-V47 HydrophobicContact CG2-CG2 4.46Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.4Å; I43-V47 PolarHBondContact O-N 2.83Å |
| 44 | P | 76.6 | Confident | 72.5 | Confident | 68 Ų | 68 | 99 Ų | 99 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -34.5 | 176.7 | -22.3 | 33.6 | 0 | 0 | 0 | 113.3 | V40 V41 V47 S48 | V40-P44 WeakPolarHBondContact O-CD 3.22Å; V40-P44 WeakPolarHBondContact O-CG 3.23Å; V41-P44 WeakPolarHBondContact O-CD 3.2Å; P44-V47 PolarHBondContact O-N 3.47Å; P44-S48 VanDerWaalsContact O-CB 3.32Å; P44-S48 WeakPolarHBondContact O-CB 3.48Å; P44-S48 PolarHBondContact O-N 3.31Å; P44-S48 PolarHBondContact O-OG 2.62Å |
| 45 | V | 79.4 | Confident | 70.6 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68 | -42.1 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | V41 L42 I43 S48 S49 | V41-V45 VanDerWaalsContact O-CG2 3.23Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å; L42-V45 PolarHBondContact O-N 2.91Å; I43-V45 VanDerWaalsContact C-N 3.31Å; I43-V45 PolarHBondContact O-N 2.88Å; V45-S48 PolarHBondContact O-N 2.87Å; V45-S49 WeakPolarHBondContact O-CB 3.32Å; V45-S49 PolarHBondContact O-N 3.11Å; V45-S49 PolarHBondContact O-OG 3.37Å |
| 46 | L | 71.1 | Confident | 69 | Low | 101 Ų | 101 | 105.1 Ų | 105.1 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.9 | -38.4 | 174.3 | -79.5 | 163 | 0 | 0 | 0 | 112.3 | L42 I43 S48 S49 A50 | L42-L46 HydrophobicContact CD2-CD1 3.85Å; L42-L46 HydrophobicContact CD2-CG 4.41Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 WeakPolarHBondContact O-CG 3.24Å; L42-L46 PolarHBondContact O-N 2.94Å; I43-L46 PolarHBondContact O-N 2.86Å; L46-S48 VanDerWaalsContact C-N 3.33Å; L46-S49 PolarHBondContact O-N 3.11Å; L46-S49 PolarHBondContact O-OG 3.04Å; L46-A50 WeakPolarHBondContact O-CB 3.49Å; L46-A50 PolarHBondContact O-N 3.21Å |
| 47 | V | 72.9 | Confident | 66.9 | Low | 101 Ų | 101 | 108 Ų | 108 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.3 | -32.9 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | I43 P44 | I43-V47 HydrophobicContact CG2-CG2 4.46Å; I43-V47 VanDerWaalsContact O-CG2 3.28Å; I43-V47 WeakPolarHBondContact O-CG2 3.4Å; I43-V47 PolarHBondContact O-N 2.83Å; P44-V47 PolarHBondContact O-N 3.47Å |
| 48 | S | 67.9 | Low | 64.8 | Low | 100 Ų | 100 | 111.9 Ų | 111.9 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.5 | -24.7 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | P44 V45 L46 | P44-S48 VanDerWaalsContact O-CB 3.32Å; P44-S48 WeakPolarHBondContact O-CB 3.48Å; P44-S48 PolarHBondContact O-N 3.31Å; P44-S48 PolarHBondContact O-OG 2.62Å; V45-S48 PolarHBondContact O-N 2.87Å; L46-S48 VanDerWaalsContact C-N 3.33Å |
| 49 | S | 63.5 | Low | 63 | Low | 87 Ų | 87 | 116.4 Ų | 116.4 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -86 | -21.1 | 174.7 | 76.6 | 0 | 0 | 0 | 0 | 113.2 | V45 L46 G51 | V45-S49 WeakPolarHBondContact O-CB 3.32Å; V45-S49 PolarHBondContact O-N 3.11Å; V45-S49 PolarHBondContact O-OG 3.37Å; L46-S49 PolarHBondContact O-N 3.11Å; L46-S49 PolarHBondContact O-OG 3.04Å; S49-G51 PolarHBondContact O-N 3.39Å |
| 50 | A | 57.7 | Low | 61.2 | Low | 75 Ų | 75 | 115.3 Ų | 115.3 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -71.3 | 80.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L46 | L46-A50 WeakPolarHBondContact O-CB 3.49Å; L46-A50 PolarHBondContact O-N 3.21Å |
| 51 | G | 48.9 | Very low | 59.4 | Low | 59 Ų | 59 | 115.4 Ų | 115.4 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | trans | -48.1 | 146.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S49 | S49-G51 PolarHBondContact O-N 3.39Š| ||
| 52 | T | 45.3 | Very low | 57.6 | Low | 131 Ų | 131 | 117.2 Ų | 117.2 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -12.4 | 123.8 | 164.7 | 51.6 | 0 | 0 | 0 | 0 | 116.6 | T54 | T52-T54 PolarHBondContact O-N 2.88Š| ||
| 53 | F | 49.3 | Very low | 55.9 | Low | 214 Ų | 214 | 123.6 Ų | 123.6 | 94% | 0.939 | 70% | 0.699 | S | S | * | * | trans | -33.6 | 107.5 | 159.9 | -81.2 | -99.7 | 0 | 0 | 0 | 112 | H55 | F53-H55 PolarHBondContact O-N 3.24Å; F53-H55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | T | 44.5 | Very low | 54.4 | Low | 99 Ų | 99 | 126.8 Ų | 126.8 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | trans | -66.3 | 107.7 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 108 | T52 Y56 | T52-T54 PolarHBondContact O-N 2.88Å; T54-Y56 WeakPolarHBondContact O-CD2 3.29Å; T54-Y56 PolarHBondContact O-N 2.7Å; T54-Y56 VanDerWaalsContact O-N 3.07Å; T54-Y56 WeakPolarHBondContact OG1-CE2 3.38Å | ||
| 55 | H | 42.1 | Very low | 52.9 | Low | 162 Ų | 162 | 129.4 Ų | 129.4 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | trans | -58.4 | 103.5 | 165.8 | -171.4 | -87.5 | 0 | 0 | 0 | 108.4 | F53 E57 | F53-H55 PolarHBondContact O-N 3.24Å; F53-H55 VanDerWaalsContact O-N 3.13Å; H55-E57 PolarHBondContact O-N 3Å | ||
| 56 | Y | 47.8 | Very low | 51.2 | Low | 200 Ų | 200 | 129.6 Ų | 129.6 | 78% | 0.784 | 73% | 0.732 | S | S | * | * | trans | -79.1 | 101.1 | 169.2 | -72.8 | -85.5 | 0 | 0 | 0 | 107.7 | T54 M58 | T54-Y56 WeakPolarHBondContact O-CD2 3.29Å; T54-Y56 PolarHBondContact O-N 2.7Å; T54-Y56 VanDerWaalsContact O-N 3.07Å; T54-Y56 WeakPolarHBondContact OG1-CE2 3.38Å; Y56-M58 PolarHBondContact O-N 2.7Å | ||
| 57 | E | 41.2 | Very low | 49.6 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -64.1 | 112.7 | 165.4 | -80.1 | -172.6 | 147.2 | 0 | 0 | 108.8 | H55 L59 | H55-E57 PolarHBondContact O-N 3Å; E57-L59 PolarHBondContact O-N 3.36Å | ||
| 58 | M | 44.5 | Very low | 48.1 | Very low | 181 Ų | 181 | 132 Ų | 132 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | trans | -68.5 | 82.8 | 166.7 | -70 | -96.6 | -79.2 | 0 | 0 | 108.7 | Y56 G60 | Y56-M58 PolarHBondContact O-N 2.7Å; M58-G60 PolarHBondContact O-N 2.83Å | ||
| 59 | L | 50.2 | Low | 46.5 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -77.5 | 79.3 | 163.8 | -75.2 | 170.6 | 0 | 0 | 0 | 108.8 | E57 | E57-L59 PolarHBondContact O-N 3.36Š| ||
| 60 | G | 46.2 | Very low | 45 | Very low | 58 Ų | 58 | 138.9 Ų | 138.9 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | trans | -161 | 85.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M58 C62 | M58-G60 PolarHBondContact O-N 2.83Å; G60-C62 PolarHBondContact O-N 3.33Å | ||
| 61 | A | 50.7 | Low | 43.9 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -73 | 106 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R63 | A61-R63 PolarHBondContact O-N 2.84Š| ||
| 62 | C | 47.8 | Very low | 43.2 | Very low | 136 Ų | 136 | 145 Ų | 145 | 92% | 0.919 | 78% | 0.783 | S | S | * | * | trans | -63.7 | 105.1 | 163.3 | -84.2 | 0 | 0 | 0 | 0 | 108.6 | G60 | G60-C62 PolarHBondContact O-N 3.33Š| ||
| 63 | R | 46.2 | Very low | 43 | Very low | 224 Ų | 224 | 144.4 Ų | 144.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 119.3 | 165 | -86.7 | -168.4 | 173.5 | -158.9 | -0.4 | 109 | A61 V65 | A61-R63 PolarHBondContact O-N 2.84Å; R63-V65 PolarHBondContact O-N 2.81Å | ||
| 64 | M | 48.7 | Very low | 42.6 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 111 | 159.9 | -71.4 | -74.2 | -74.2 | 0 | 0 | 108.1 | C66 | M64-C66 VanDerWaalsContact C-N 3.34Å; M64-C66 PolarHBondContact O-N 2.88Å | ||
| 65 | V | 44.7 | Very low | 42 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | trans | -84 | 88.1 | 163.2 | -177.8 | 0 | 0 | 0 | 0 | 106.1 | R63 | R63-V65 PolarHBondContact O-N 2.81Š| ||
| 66 | C | 43.3 | Very low | 41.7 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | -82.5 | 107.4 | 158.8 | -64.7 | 0 | 0 | 0 | 0 | 106.2 | M64 P68 | M64-C66 VanDerWaalsContact C-N 3.34Å; M64-C66 PolarHBondContact O-N 2.88Å; C66-P68 VanDerWaalsContact O-CD 3.23Å; C66-P68 WeakPolarHBondContact O-CD 3.29Å | ||
| 67 | D | 37.9 | Very low | 41.1 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -63.2 | 118.1 | 165.2 | -81.7 | -30 | 0 | 0 | 0 | 108.5 | ||||
| 68 | P | 41.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -79.4 | 124.2 | 164.1 | 31.3 | -25.8 | 0 | 0 | 0 | 107.6 | C66 S70 | C66-P68 VanDerWaalsContact O-CD 3.23Å; C66-P68 WeakPolarHBondContact O-CD 3.29Å; P68-S70 PolarHBondContact O-N 3.26Å | ||
| 69 | Y | 35.6 | Very low | 40.2 | Very low | 218 Ų | 218 | 127.2 Ų | 127.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -49.8 | 113.4 | 171.3 | -140.4 | -97.5 | 0 | 0 | 0 | 109.2 | T71 | Y69-T71 PolarHBondContact O-N 3.14Š| ||
| 70 | S | 30.9 | Very low | 40.4 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -65.9 | 105.5 | 175.2 | -68.3 | 0 | 0 | 0 | 0 | 108.6 | P68 | P68-S70 PolarHBondContact O-N 3.26Š| ||
| 71 | T | 35.3 | Very low | 39.7 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 118.5 | 156.3 | 44.3 | 0 | 0 | 0 | 0 | 107.5 | Y69 T73 | Y69-T71 PolarHBondContact O-N 3.14Å; T71-T73 PolarHBondContact O-N 3.15Å |
| 72 | T | 34.5 | Very low | 38.9 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.8 | -173.8 | -25.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 73 | T | 39.3 | Very low | 38.4 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 166.1 | 161.4 | -23.8 | 0 | 0 | 0 | 0 | 109.4 | T71 | T71-T73 PolarHBondContact O-N 3.15Š|
| 74 | P | 42.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | -147.9 | 141.2 | 95.9 | 33.3 | -14.8 | 0 | 0 | 0 | 116.8 | |||||
| 75 | S | 31.8 | Very low | 37.4 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 59.9 | 136.2 | 140.8 | 64.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 76 | S | 34.9 | Very low | 37.1 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | cis | -169.9 | 146.4 | 44.7 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 77 | T | 35.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | 59.8 | 126.1 | 140.4 | 49.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 78 | G | 33 | Very low | 36.8 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 126.2 | 121.6 | 141 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 79 | A | 34.2 | Very low | 36.7 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -120.7 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 80 | P | 53.2 | Low | 36.8 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | cis | -130.5 | -175.9 | -15.3 | 36.7 | -17.3 | 0 | 0 | 0 | 114.3 | ||||
| 81 | D | 32.4 | Very low | 37 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | 84.2 | 137.1 | 152.2 | -65 | -23.2 | 0 | 0 | 0 | 123.9 | ||||
| 82 | A | 33.4 | Very low | 37.1 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 95.6 | 126.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 83 | V | 38.1 | Very low | 38.1 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -72.1 | 134 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 84 | R | 39.8 | Very low | 38.1 | Very low | 214 Ų | 214 | 131.1 Ų | 131.1 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | 165.3 | 143 | 125.2 | -91.9 | -167.7 | -179.5 | 169.6 | -0 | 113.9 | |||||
| 85 | D | 34.5 | Very low | 38.4 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 74.7 | 121.2 | 144.7 | -63 | -23.3 | 0 | 0 | 0 | 123.8 | ||||
| 86 | N | 37.8 | Very low | 39.1 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -59 | 133.2 | 162.1 | -98.6 | -11.4 | 0 | 0 | 0 | 112.8 | ||||
| 87 | S | 36.2 | Very low | 39.9 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -170.7 | 103.4 | 144.3 | 18.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 88 | L | 37.9 | Very low | 41 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 33.7 | 125 | 126.8 | -67.1 | 175.8 | 0 | 0 | 0 | 121.8 | |||||
| 89 | L | 38.8 | Very low | 42.6 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | 121.4 | 110.3 | 135.4 | -71.1 | 158.6 | 0 | 0 | 0 | 119.5 | ||||
| 90 | Q | 39 | Very low | 44.2 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | 53.8 | 122.8 | 126.4 | -76.4 | 174.4 | -22.4 | 0 | 0 | 122.2 | |||||
| 91 | S | 35.4 | Very low | 44.8 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | 157 | 140.5 | 97.5 | 53.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 92 | L | 36.6 | Very low | 46.7 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -101.2 | 178.7 | 163.5 | -90.4 | 146.5 | 0 | 0 | 0 | 108.4 | ||||
| 93 | P | 56 | Low | 48.6 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | cis | -135.5 | -178.3 | 5.2 | 29.1 | -3.4 | 0 | 0 | 0 | 113.9 | ||||
| 94 | T | 39.7 | Very low | 50 | Low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | 172.2 | 142.4 | 98.5 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 95 | F | 48.1 | Very low | 51.7 | Low | 196 Ų | 196 | 146.3 Ų | 146.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -19.8 | 136.1 | 168.1 | -74.9 | -104.6 | 0 | 0 | 0 | 121.6 | ||||
| 96 | I | 46.2 | Very low | 53.7 | Low | 168 Ų | 168 | 145.4 Ų | 145.4 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | trans | -145.1 | 127 | 142.7 | -63.4 | -166.6 | 0 | 0 | 0 | 112.1 | ||||
| 97 | Q | 52.5 | Low | 55.2 | Low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -4.6 | 130.7 | 159.6 | -160.8 | 163.6 | -1.4 | 0 | 0 | 120.5 | ||||
| 98 | G | 58.4 | Low | 56.9 | Low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 146.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 99 | P | 66.2 | Low | 58.6 | Low | 134 Ų | 134 | 145.1 Ų | 145.1 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 144.5 | -179.4 | 28.2 | -32.7 | 0 | 0 | 0 | 113 | ||
| 100 | R | 67.1 | Low | 60.1 | Low | 243 Ų | 243 | 141.2 Ų | 141.2 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.3 | 176.7 | -176.7 | 177.6 | -178.8 | 167.8 | 0.2 | 110.7 | ||
| 101 | G | 65.7 | Low | 61.9 | Low | 68 Ų | 68 | 139.6 Ų | 139.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 102 | E | 73.8 | Confident | 63.8 | Low | 180 Ų | 180 | 145.4 Ų | 145.4 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145.4 | 179.7 | -75 | -75.7 | 139.4 | 0 | 0 | 113.2 | ||
| 103 | P | 73.6 | Confident | 65.4 | Low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 142.7 | 173.5 | -22.5 | 33.1 | 0 | 0 | 0 | 112.8 | ||
| 104 | G | 67.5 | Low | 66.2 | Low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 140.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 105 | R | 73.6 | Confident | 68 | Low | 240 Ų | 240 | 139.4 Ų | 139.4 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.7 | -178.1 | -65.3 | -178.4 | -177.5 | -177.1 | 0.6 | 111.6 | ||
| 106 | P | 76.7 | Confident | 69 | Low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 144.5 | 175.6 | -25 | 33.6 | 0 | 0 | 0 | 112.8 | ||
| 107 | G | 69.7 | Low | 70.4 | Confident | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 147.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 108 | K | 71.9 | Confident | 71.7 | Confident | 211 Ų | 211 | 131.6 Ų | 131.6 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139 | -178.8 | -62.7 | -176.8 | -179.3 | -178.5 | 0 | 110.9 | ||
| 109 | V | 74.9 | Confident | 72.2 | Confident | 145 Ų | 145 | 131.8 Ų | 131.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.3 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 110 | G | 70.2 | Confident | 72.4 | Confident | 57 Ų | 57 | 134.1 Ų | 134.1 | 59% | 0.588 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 111 | P | 75.3 | Confident | 73.2 | Confident | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.4 | -176.9 | 26.4 | -32.6 | 0 | 0 | 0 | 111.6 | ||
| 112 | R | 76 | Confident | 73.5 | Confident | 244 Ų | 244 | 128.4 Ų | 128.4 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 137.5 | 173.7 | -173 | 175.2 | -179.1 | 173.8 | 0.2 | 109.6 | ||
| 113 | G | 70.5 | Confident | 73.8 | Confident | 66 Ų | 66 | 126.1 Ų | 126.1 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57 | 149.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 114 | A | 73.2 | Confident | 74.2 | Confident | 105 Ų | 105 | 125.4 Ų | 125.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 141.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 115 | A | 76.8 | Confident | 74.4 | Confident | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 142.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 116 | G | 70 | Confident | 74.6 | Confident | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62 | 151.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 117 | E | 74.3 | Confident | 74.9 | Confident | 188 Ų | 188 | 119.3 Ų | 119.3 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65 | 139.3 | -176.3 | -69.7 | -160.4 | 151.4 | 0 | 0 | 112.4 | ||
| 118 | P | 79.6 | Confident | 75.1 | Confident | 121 Ų | 121 | 119.2 Ų | 119.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 142.8 | 172.7 | -22 | 33 | 0 | 0 | 0 | 112 | ||
| 119 | G | 68.9 | Low | 75.2 | Confident | 69 Ų | 69 | 117 Ų | 117 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 120 | H | 71.8 | Confident | 75.4 | Confident | 184 Ų | 184 | 121.9 Ų | 121.9 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 139.7 | -177.8 | -50.8 | -92.6 | 0 | 0 | 0 | 111.7 | ||
| 121 | P | 82.8 | Confident | 75.5 | Confident | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.3 | 174.3 | -23.9 | 33.9 | 0 | 0 | 0 | 112.4 | ||
| 122 | G | 73.4 | Confident | 75.5 | Confident | 64 Ų | 64 | 124.7 Ų | 124.7 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 159.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 123 | P | 79.1 | Confident | 75.8 | Confident | 133 Ų | 133 | 119.1 Ų | 119.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.9 | -179.8 | 26 | -33.5 | 0 | 0 | 0 | 111.8 | ||
| 124 | A | 82.1 | Confident | 75.8 | Confident | 100 Ų | 100 | 119.5 Ų | 119.5 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 140.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 125 | G | 72.8 | Confident | 75.9 | Confident | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 159.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 126 | P | 76.9 | Confident | 76.1 | Confident | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 147.1 | -179.9 | 25.4 | -33.1 | 0 | 0 | 0 | 111.8 | ||
| 127 | P | 82.3 | Confident | 76 | Confident | 125 Ų | 125 | 125.3 Ų | 125.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 137 | 177 | -22.7 | 33.1 | 0 | 0 | 0 | 112.3 | ||
| 128 | G | 75 | Confident | 75.6 | Confident | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 149.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 129 | N | 74.3 | Confident | 75.7 | Confident | 165 Ų | 165 | 124.4 Ų | 124.4 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 138.4 | 178 | -69 | -28.9 | 0 | 0 | 0 | 111.3 | G131 | N129-G131 PolarHBondContact O-N 3.21Š|
| 130 | R | 79.4 | Confident | 75.5 | Confident | 247 Ų | 247 | 124.1 Ų | 124.1 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.8 | 177.8 | -168.5 | 178.3 | -164.5 | 164.8 | 4.4 | 109.7 | ||
| 131 | G | 72.1 | Confident | 75.4 | Confident | 63 Ų | 63 | 121.2 Ų | 121.2 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 151.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N129 | N129-G131 PolarHBondContact O-N 3.21Š|
| 132 | E | 75.3 | Confident | 74.9 | Confident | 186 Ų | 186 | 121.4 Ų | 121.4 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 144.5 | 178.5 | -66.6 | -161.8 | 155.9 | 0 | 0 | 111.8 | G134 | E132-G134 PolarHBondContact O-N 3.26Š|
| 133 | P | 81.9 | Confident | 73.9 | Confident | 127 Ų | 127 | 121.4 Ų | 121.4 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.2 | 174.9 | -22.7 | 33.3 | 0 | 0 | 0 | 111.6 | ||
| 134 | G | 70 | Confident | 73 | Confident | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 143.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E132 | E132-G134 PolarHBondContact O-N 3.26Š|
| 135 | K | 75 | Confident | 71.5 | Confident | 199 Ų | 199 | 122.1 Ų | 122.1 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 142.8 | 176 | -66.3 | -177.9 | -179.5 | -179.2 | 0 | 110.2 | G137 | K135-G137 PolarHBondContact O-N 2.83Š|
| 136 | P | 81.3 | Confident | 70.3 | Confident | 129 Ų | 129 | 124.1 Ų | 124.1 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.4 | 174.3 | -24.6 | 33.7 | 0 | 0 | 0 | 111.5 | ||
| 137 | G | 67.6 | Low | 68.7 | Low | 71 Ų | 71 | 124.9 Ų | 124.9 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K135 | K135-G137 PolarHBondContact O-N 2.83Š|
| 138 | L | 67.4 | Low | 67 | Low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.6 | 173.4 | -68.8 | 168.4 | 0 | 0 | 0 | 110.2 | G140 | L138-G140 PolarHBondContact O-N 3.47Š|
| 139 | P | 80.5 | Confident | 65.3 | Low | 122 Ų | 122 | 124.1 Ų | 124.1 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53 | 133.9 | 173.2 | -24.7 | 33.8 | 0 | 0 | 0 | 111 | ||
| 140 | G | 64.8 | Low | 64.1 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 150.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L138 | L138-G140 PolarHBondContact O-N 3.47Š|
| 141 | P | 69.8 | Low | 62.4 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 149.6 | 174.5 | 25.1 | -32.7 | 0 | 0 | 0 | 110.7 | G143 | P141-G143 PolarHBondContact O-N 3.42Š|
| 142 | P | 73.1 | Confident | 61.3 | Low | 129 Ų | 129 | 120.1 Ų | 120.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 130.1 | 175.3 | -24.5 | 33.4 | 0 | 0 | 0 | 111.1 | ||
| 143 | G | 52 | Low | 60.2 | Low | 64 Ų | 64 | 116.3 Ų | 116.3 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P141 S145 | P141-G143 PolarHBondContact O-N 3.42Å; G143-S145 PolarHBondContact O-N 3.23Å |
| 144 | P | 59.9 | Low | 58.8 | Low | 132 Ų | 132 | 114.1 Ų | 114.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128 | 175.4 | 25.7 | -30.8 | 0 | 0 | 0 | 110.1 | A146 | P144-A146 PolarHBondContact O-N 2.77Š|
| 145 | S | 50.1 | Low | 58.1 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53 | 136.7 | 172.9 | -85.3 | 0 | 0 | 0 | 0 | 111.3 | G143 V147 | G143-S145 PolarHBondContact O-N 3.23Å; S145-V147 PolarHBondContact O-N 2.87Å |
| 146 | A | 48.6 | Very low | 56.7 | Low | 106 Ų | 106 | 118.2 Ų | 118.2 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 118.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P144 | P144-A146 PolarHBondContact O-N 2.77Š|
| 147 | V | 43.5 | Very low | 55.3 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -122.1 | 122 | 152 | -150.5 | 0 | 0 | 0 | 0 | 105.9 | S145 | S145-V147 PolarHBondContact O-N 2.87Š| ||
| 148 | A | 46.4 | Very low | 55.3 | Low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -59.3 | 139.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 149 | G | 38.9 | Very low | 55.7 | Low | 76 Ų | 76 | 115.4 Ų | 115.4 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 130.4 | 74.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I151 | G149-I151 PolarHBondContact O-N 2.93Š| ||
| 150 | A | 48.1 | Very low | 55.9 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -67.2 | 120.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 151 | I | 44.6 | Very low | 57.3 | Low | 172 Ų | 172 | 114.7 Ų | 114.7 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -151.6 | 98.8 | 133.3 | 15.2 | 175 | 0 | 0 | 0 | 108.4 | G149 | G149-I151 PolarHBondContact O-N 2.93Š| ||
| 152 | S | 48.7 | Very low | 58.6 | Low | 118 Ų | 118 | 109.2 Ų | 109.2 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -123.2 | 96.8 | 162.3 | -118.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 153 | A | 51.8 | Low | 59.9 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 87% | 0.868 | 69% | 0.694 | S | S | * | * | trans | -117.5 | 49.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | T155 | A153-T155 PolarHBondContact O-N 3.18Š| ||
| 154 | A | 53.7 | Low | 62.1 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | -98.1 | 76.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 155 | T | 55.3 | Low | 63.9 | Low | 125 Ų | 125 | 99.1 Ų | 99.1 | 77% | 0.767 | 64% | 0.637 | S | S | * | * | trans | -155.8 | 47.8 | 152.1 | -30.6 | 0 | 0 | 0 | 0 | 112.5 | A153 | A153-T155 PolarHBondContact O-N 3.18Š| ||
| 156 | Y | 44.8 | Very low | 66.2 | Low | 232 Ų | 232 | 93.6 Ų | 93.6 | 91% | 0.91 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -143.3 | 107.2 | 159.8 | -79 | -76.4 | 0 | 0 | 0 | 110.6 | ||
| 157 | S | 52.4 | Low | 68.6 | Low | 70 Ų | 70 | 88.5 Ų | 88.5 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | trans | 82.1 | 96.9 | 173.2 | -150.5 | 0 | 0 | 0 | 0 | 116.4 | V159 K161 | S157-V159 PolarHBondContact O-N 2.94Å; S157-K161 WeakPolarHBondContact OG-CE 3.46Å | ||
| 158 | T | 66.9 | Low | 71.1 | Confident | 147 Ų | 147 | 82 Ų | 82 | 90% | 0.902 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -72.8 | 6.1 | 163.9 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 159 | V | 76.1 | Confident | 73.3 | Confident | 91 Ų | 91 | 80.8 Ų | 80.8 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -96.5 | 121.2 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | S157 K161 | S157-V159 PolarHBondContact O-N 2.94Å; V159-K161 PolarHBondContact O-N 2.92Å |
| 160 | P | 85.3 | Confident | 75.7 | Confident | 44 Ų | 44 | 83.6 Ų | 83.6 | 29% | 0.286 | 48% | 0.482 | S | S | . | . | trans | -53.6 | 126.1 | 172.2 | -25.6 | 34.3 | 0 | 0 | 0 | 111.2 | I202 V289 | P160-I202 HydrophobicContact CB-CD1 3.46Å; P160-I202 VanDerWaalsContact CB-CD1 3.46Å; P160-I202 HydrophobicContact CG-CD1 3.71Å; P160-V289 HydrophobicContact CB-CG2 4.21Å; P160-V289 HydrophobicContact CG-CG2 3.81Å | ||
| 161 | K | 93.8 | Very high | 77.7 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | trans | -110.4 | 108.3 | 174.5 | -57.6 | -178.5 | -178.3 | 174.6 | 0 | 108.2 | S157 V159 L187 | S157-K161 WeakPolarHBondContact OG-CE 3.46Å; V159-K161 PolarHBondContact O-N 2.92Å; K161-L187 HydrophobicContact CB-CD2 3.44Å; K161-L187 VanDerWaalsContact CB-CD2 3.44Å; K161-L187 HydrophobicContact CB-CG 4.22Å; K161-L187 HydrophobicContact CD-CD2 4.4Å; K161-L187 WeakPolarHBondContact O-CG 3.32Å | ||
| 162 | I | 97.8 | Very high | 80 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | trans | -126.3 | 119.9 | 178.9 | -61.3 | 177.8 | 0 | 0 | 0 | 107.7 | H190 F198 I202 Y206 F285 I286 | I162-H190 HydrophobicContact CG2-CB 4.31Å; I162-F198 HydrophobicContact CG2-CE2 3.61Å; I162-F198 HydrophobicContact CG2-CZ 3.84Å; I162-I202 HydrophobicContact CD1-CB 4.47Å; I162-I202 HydrophobicContact CD1-CD1 3.99Å; I162-I202 HydrophobicContact CD1-CG1 4.35Å; I162-Y206 HydrophobicContact CD1-CE1 4.39Å; I162-Y206 HydrophobicContact CG2-CE1 4.27Å; I162-F285 VanDerWaalsContact O-CA 3.22Å; I162-F285 WeakPolarHBondContact O-CA 3.39Å; I162-F285 WeakPolarHBondContact O-CB 3.22Å; I162-I286 HydrophobicContact CB-CB 4.21Å; I162-I286 HydrophobicContact CB-CG2 3.92Å; I162-I286 PolarHBondContact O-N 3.38Å | ||
| 163 | A | 98.6 | Very high | 82.1 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 26% | 0.256 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 140.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | N186 L187 G284 F285 | A163-N186 CarbonylContact O-C 3.52Å; A163-L187 PolarHBondContact N-O 2.98Å; A163-L187 PolarHBondContact O-N 3.03Å; A163-G284 CarbonylContact C-O 3.5Å; A163-G284 VanDerWaalsContact CA-O 3.32Å; A163-G284 WeakPolarHBondContact CA-O 3.38Å; A163-F285 HydrophobicContact CB-CB 3.8Å |
| 164 | F | 98.9 | Very high | 84 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.3 | 172.6 | 77.1 | -78.1 | 0 | 0 | 0 | 112 | T185 Y191 F198 F208 F282 S283 G284 | F164-T185 CarbonylContact C-O 3.54Å; F164-T185 WeakPolarHBondContact CA-O 3.38Å; F164-T185 WeakPolarHBondContact CB-O 3.37Å; F164-Y191 HydrophobicContact CD2-CD1 4.18Å; F164-Y191 AromaticContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CE2 4.37Å; F164-Y191 AromaticContact CD2-CG 3.55Å; F164-Y191 HydrophobicContact CD2-CG 3.55Å; F164-Y191 AromaticContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CE2 4.02Å; F164-Y191 AromaticContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CG-CD2 4.37Å; F164-Y191 HydrophobicContact CG-CG 4.08Å; F164-Y191 HydrophobicContact CZ-CD2 4.2Å; F164-F198 AromaticContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CE2 4.18Å; F164-F198 HydrophobicContact CE1-CB 4.12Å; F164-F198 AromaticContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CE2 4.31Å; F164-F198 HydrophobicContact CE1-CG 4.07Å; F164-F198 HydrophobicContact CZ-CB 4.29Å; F164-F208 HydrophobicContact CE1-CD1 4.05Å; F164-F208 AromaticContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CZ-CD1 4.17Å; F164-F208 HydrophobicContact CZ-CE1 4.3Å; F164-F282 AromaticContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD2 4.47Å; F164-F282 AromaticContact CE2-CE1 3.77Å; F164-F282 HydrophobicContact CE2-CE1 3.77Å; F164-F282 AromaticContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CZ 4.27Å; F164-F282 AromaticContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD2 4.34Å; F164-F282 AromaticContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE2 4.06Å; F164-F282 HydrophobicContact CZ-CG 4.23Å; F164-F282 AromaticContact CZ-CZ 3.66Å; F164-F282 HydrophobicContact CZ-CZ 3.66Å; F164-S283 VanDerWaalsContact O-CA 3.23Å; F164-S283 WeakPolarHBondContact O-CA 3.45Å; F164-S283 VanDerWaalsContact O-CB 3.23Å; F164-S283 WeakPolarHBondContact O-CB 3.44Å; F164-G284 WeakPolarHBondContact CD1-O 3.48Å; F164-G284 VanDerWaalsContact CE1-N 3.31Å; F164-G284 PolarHBondContact N-O 3.37Å; F164-G284 PolarHBondContact O-N 2.95Å; F164-G284 VanDerWaalsContact O-N 3.11Å |
| 165 | Y | 98.8 | Very high | 86 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 126.2 | 170.9 | 169 | -117.5 | 0 | 0 | 0 | 108.3 | V184 T185 T281 F282 | Y165-V184 HydrophobicContact CD1-CB 3.57Å; Y165-V184 HydrophobicContact CD1-CG1 3.93Å; Y165-V184 HydrophobicContact CD1-CG2 3.88Å; Y165-V184 HydrophobicContact CE1-CB 4.02Å; Y165-V184 HydrophobicContact CE1-CG1 4.31Å; Y165-V184 HydrophobicContact CE1-CG2 3.81Å; Y165-V184 PolarHBondContact O-N 3Å; Y165-T185 PolarHBondContact N-O 2.93Å; Y165-T185 PolarHBondContact O-N 2.67Å; Y165-T185 VanDerWaalsContact O-N 3.11Å; Y165-T281 HydrophobicContact CE2-CG2 3.6Å; Y165-T281 WeakPolarHBondContact OH-CG2 3.48Å; Y165-F282 WeakPolarHBondContact CA-O 2.98Å |
| 166 | A | 98.3 | Very high | 88 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 145.8 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | F180 D182 V183 Y191 T281 F282 | A166-F180 HydrophobicContact CB-CB 3.63Å; A166-F180 WeakPolarHBondContact CB-O 3.48Å; A166-D182 WeakPolarHBondContact CA-O 3.48Å; A166-V183 HydrophobicContact CB-CG2 4.16Å; A166-Y191 HydrophobicContact CB-CD1 4.32Å; A166-Y191 HydrophobicContact CB-CE1 3.79Å; A166-T281 WeakPolarHBondContact O-CA 3.15Å; A166-F282 PolarHBondContact N-O 2.95Å; A166-F282 PolarHBondContact O-N 2.9Å |
| 167 | G | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 169.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F180 D181 D182 S280 | G167-F180 CarbonylContact O-C 3.52Å; G167-F180 VanDerWaalsContact O-CA 3.22Å; G167-F180 WeakPolarHBondContact O-CA 3.36Å; G167-F180 WeakPolarHBondContact O-CB 3.24Å; G167-D181 PolarHBondContact O-N 2.99Å; G167-D182 PolarHBondContact N-O 2.88Å; G167-D182 WeakPolarHBondContact O-CB 3.46Å; G167-D182 PolarHBondContact O-N 2.85Å; G167-S280 CarbonylContact C-O 3.54Å; G167-S280 WeakPolarHBondContact CA-O 3.43Å |
| 168 | L | 96 | Very high | 92.7 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | trans | -101.1 | 117.9 | 178.8 | -158 | 70.8 | 0 | 0 | 0 | 110.7 | K170 L178 K179 F180 A271 S280 | L168-K170 WeakPolarHBondContact CG-O 3.23Å; L168-L178 HydrophobicContact CD2-CD2 4.4Å; L168-K179 VanDerWaalsContact CD1-O 3.3Å; L168-K179 WeakPolarHBondContact CD1-O 3.34Å; L168-F180 HydrophobicContact CB-CD1 3.99Å; L168-F180 HydrophobicContact CB-CE1 4.35Å; L168-F180 HydrophobicContact CD1-CD1 4.12Å; L168-F180 HydrophobicContact CD1-CE1 4.5Å; L168-F180 HydrophobicContact CD1-CG 4.24Å; L168-A271 HydrophobicContact CD2-CB 4.03Å; L168-S280 PolarHBondContact N-O 2.82Å | ||
| 169 | K | 93.1 | Very high | 94.1 | Very high | 81 Ų | 81 | 58 Ų | 58 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | trans | -90 | -40.4 | 170.8 | -79.5 | 158 | 167.4 | 150.2 | 0 | 112.2 | D181 D182 G273 | K169-D181 VanDerWaalsContact CB-OD1 3.3Å; K169-D181 WeakPolarHBondContact CB-OD1 3.3Å; K169-D181 PolarHBondContact N-OD1 3.43Å; K169-D182 HydrophobicContact CD-CB 3.78Å; K169-D182 VanDerWaalsContact CE-OD1 3.29Å; K169-D182 WeakPolarHBondContact CE-OD1 3.39Å; K169-D182 WeakPolarHBondContact CE-OD2 3.34Å; K169-D182 HydrophobicContact CG-CB 3.87Å; K169-D182 IonicContact NZ-OD1 3.72Å; K169-D182 PolarHBondContact NZ-OD1 3.42Å; K169-D182 IonicContact NZ-OD2 2.73Å; K169-G273 CarbonylContact O-C 3.56Å; K169-G273 VanDerWaalsContact O-C 3.22Å | ||
| 170 | K | 90.3 | Very high | 95.1 | Very high | 135 Ų | 135 | 53.7 Ų | 53.7 | 59% | 0.587 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -91.1 | 143.1 | -173.3 | -67 | 173.2 | -171.6 | 167.2 | 0 | 111.2 | L168 H172 D181 G273 | L168-K170 WeakPolarHBondContact CG-O 3.23Å; K170-H172 PolarHBondContact O-CD2 3.17Å; K170-H172 VanDerWaalsContact O-CD2 3.28Å; K170-D181 WeakPolarHBondContact CD-OD2 3.3Å; K170-D181 VanDerWaalsContact CE-OD2 3.24Å; K170-D181 WeakPolarHBondContact CE-OD2 3.3Å; K170-D181 WeakPolarHBondContact CG-OD2 3.44Å; K170-D181 IonicContact NZ-OD2 3.64Å; K170-G273 WeakPolarHBondContact O-CA 3.43Å |
| 171 | Q | 89.8 | Confident | 95.6 | Very high | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | trans | -70.9 | 144.7 | 172.3 | -63.1 | -178.3 | -12.3 | 0 | 0 | 109.7 | G273 | Q171-G273 WeakPolarHBondContact CG-O 3.44Š| ||
| 172 | H | 92.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 7% | 0.069 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.9 | 179.5 | -78 | -85.9 | 0 | 0 | 0 | 109.3 | K170 E176 L178 L266 K270 A271 | K170-H172 PolarHBondContact O-CD2 3.17Å; K170-H172 VanDerWaalsContact O-CD2 3.28Å; H172-E176 WeakPolarHBondContact CA-OE1 3.41Å; H172-E176 WeakPolarHBondContact CB-OE1 3.22Å; H172-E176 IonicContact CE1-OE1 2.76Å; H172-E176 IonicContact CG-OE1 3.17Å; H172-E176 VanDerWaalsContact ND1-CD 3.25Å; H172-E176 IonicContact ND1-OE1 3.55Å; H172-E176 PolarHBondContact ND1-OE1 2.79Å; H172-E176 IonicContact ND1-OE2 2.73Å; H172-L178 HydrophobicContact CB-CD2 3.29Å; H172-L266 HydrophobicContact CB-CD1 3.98Å; H172-K270 WeakPolarHBondContact O-CA 3.33Å; H172-A271 HydrophobicContact CB-CB 4.37Å; H172-A271 PolarHBondContact O-N 2.94Å |
| 173 | E | 93.3 | Very high | 95.8 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161 | -179.2 | 64.1 | 179.5 | -169.2 | 0 | 0 | 113.2 | E176 G269 K270 | E173-E176 PolarHBondContact N-OE1 3.16Å; E173-G269 WeakPolarHBondContact CA-O 3.46Å; E173-K270 HydrophobicContact CB-CB 4.4Å; E173-K270 HydrophobicContact CB-CG 3.84Å; E173-K270 WeakPolarHBondContact OE2-CE 3.49Å; E173-K270 IonicContact OE2-NZ 3.67Å |
| 174 | G | 92.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 79.8 | -123.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L266 G268 G269 | G174-L266 VanDerWaalsContact O-CB 3.28Å; G174-L266 WeakPolarHBondContact O-CB 3.28Å; G174-G268 VanDerWaalsContact O-CA 3.28Å; G174-G268 WeakPolarHBondContact O-CA 3.24Å; G174-G268 PolarHBondContact O-N 3.29Å; G174-G269 PolarHBondContact N-O 2.85Å |
| 175 | Y | 95.6 | Very high | 95.7 | Very high | 162 Ų | 162 | 55.9 Ų | 55.9 | 64% | 0.635 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -124.9 | 31.9 | -165.2 | -62.9 | -88 | 0 | 0 | 0 | 113.5 | K265 L266 D267 | Y175-K265 WeakPolarHBondContact O-CE 3.09Å; Y175-L266 CarbonylContact C-O 3.22Å; Y175-L266 VanDerWaalsContact CA-O 3.27Å; Y175-L266 WeakPolarHBondContact CA-O 3.42Å; Y175-D267 WeakPolarHBondContact CD1-OD1 3.45Å |
| 176 | E | 95.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 167.4 | -172.7 | 68.9 | 176.6 | 163.6 | 0 | 0 | 114.2 | H172 E173 K265 L266 | H172-E176 WeakPolarHBondContact CA-OE1 3.41Å; H172-E176 WeakPolarHBondContact CB-OE1 3.22Å; H172-E176 IonicContact CE1-OE1 2.76Å; H172-E176 IonicContact CG-OE1 3.17Å; H172-E176 VanDerWaalsContact ND1-CD 3.25Å; H172-E176 IonicContact ND1-OE1 3.55Å; H172-E176 PolarHBondContact ND1-OE1 2.79Å; H172-E176 IonicContact ND1-OE2 2.73Å; E173-E176 PolarHBondContact N-OE1 3.16Å; E176-K265 WeakPolarHBondContact O-CA 3.22Å; E176-L266 PolarHBondContact O-N 3.31Å |
| 177 | V | 98.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 129.1 | 170.5 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | K179 S195 Y263 | V177-K179 PolarHBondContact O-N 3.34Å; V177-S195 WeakPolarHBondContact CG1-O 3.31Å; V177-Y263 HydrophobicContact CB-CD2 4.37Å; V177-Y263 HydrophobicContact CG1-CD2 3.88Å; V177-Y263 HydrophobicContact CG1-CG 4.26Å; V177-Y263 HydrophobicContact CG2-CD2 3.69Å; V177-Y263 HydrophobicContact CG2-CE2 3.76Å |
| 178 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 119.5 | 175.6 | -69.1 | -177.2 | 0 | 0 | 0 | 110.6 | L168 H172 F180 V212 I264 L266 A271 | L168-L178 HydrophobicContact CD2-CD2 4.4Å; H172-L178 HydrophobicContact CB-CD2 3.29Å; L178-F180 HydrophobicContact CB-CD2 4.27Å; L178-F180 HydrophobicContact CB-CE2 3.62Å; L178-F180 HydrophobicContact CB-CZ 3.99Å; L178-F180 HydrophobicContact CD1-CE2 4.46Å; L178-F180 HydrophobicContact CD1-CZ 4.05Å; L178-F180 WeakPolarHBondContact O-CD2 3.41Å; L178-F180 PolarHBondContact O-N 2.73Å; L178-V212 HydrophobicContact CD1-CB 4.45Å; L178-V212 HydrophobicContact CD1-CG1 3.84Å; L178-V212 HydrophobicContact CD1-CG2 3.68Å; L178-I264 HydrophobicContact CB-CB 4.45Å; L178-I264 HydrophobicContact CD1-CB 4.45Å; L178-I264 HydrophobicContact CD1-CG2 3.9Å; L178-I264 PolarHBondContact N-O 2.92Å; L178-L266 HydrophobicContact CD1-CD2 4.22Å; L178-L266 HydrophobicContact CD1-CG 4.18Å; L178-L266 HydrophobicContact CD2-CD1 3.65Å; L178-L266 HydrophobicContact CD2-CD2 4.38Å; L178-L266 HydrophobicContact CD2-CG 3.65Å; L178-L266 HydrophobicContact CG-CD1 4.47Å; L178-L266 HydrophobicContact CG-CG 3.94Å; L178-A271 HydrophobicContact CD2-CB 4.01Å |
| 179 | K | 97.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 66.2 Ų | 66.2 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | trans | -96.9 | 87.7 | -178.9 | -63.2 | 173.7 | -176 | 179.3 | 0 | 109.4 | L168 V177 D181 T194 | L168-K179 VanDerWaalsContact CD1-O 3.3Å; L168-K179 WeakPolarHBondContact CD1-O 3.34Å; V177-K179 PolarHBondContact O-N 3.34Å; K179-D181 VanDerWaalsContact C-N 3.27Å; K179-D181 PolarHBondContact O-N 3.48Å; K179-T194 WeakPolarHBondContact CD-O 2.95Å; K179-T194 WeakPolarHBondContact CE-O 3.45Å | ||
| 180 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -67.4 | 87.1 | 175.6 | -56 | -98.3 | 0 | 0 | 0 | 109.6 | A166 G167 L168 L178 D182 Y191 V212 I264 T281 F282 | A166-F180 HydrophobicContact CB-CB 3.63Å; A166-F180 WeakPolarHBondContact CB-O 3.48Å; G167-F180 CarbonylContact O-C 3.52Å; G167-F180 VanDerWaalsContact O-CA 3.22Å; G167-F180 WeakPolarHBondContact O-CA 3.36Å; G167-F180 WeakPolarHBondContact O-CB 3.24Å; L168-F180 HydrophobicContact CB-CD1 3.99Å; L168-F180 HydrophobicContact CB-CE1 4.35Å; L168-F180 HydrophobicContact CD1-CD1 4.12Å; L168-F180 HydrophobicContact CD1-CE1 4.5Å; L168-F180 HydrophobicContact CD1-CG 4.24Å; L178-F180 HydrophobicContact CB-CD2 4.27Å; L178-F180 HydrophobicContact CB-CE2 3.62Å; L178-F180 HydrophobicContact CB-CZ 3.99Å; L178-F180 HydrophobicContact CD1-CE2 4.46Å; L178-F180 HydrophobicContact CD1-CZ 4.05Å; L178-F180 WeakPolarHBondContact O-CD2 3.41Å; L178-F180 PolarHBondContact O-N 2.73Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 2.81Å; F180-Y191 VanDerWaalsContact CB-OH 3.3Å; F180-Y191 WeakPolarHBondContact CB-OH 3.35Å; F180-Y191 PolarHBondContact N-OH 3.37Å; F180-Y191 WeakPolarHBondContact O-CE1 3.41Å; F180-Y191 PolarHBondContact O-OH 3.41Å; F180-V212 HydrophobicContact CZ-CG2 4.21Å; F180-I264 HydrophobicContact CE2-CB 3.94Å; F180-I264 HydrophobicContact CE2-CG1 3.87Å; F180-I264 HydrophobicContact CZ-CB 4.28Å; F180-I264 HydrophobicContact CZ-CG1 4.15Å; F180-T281 VanDerWaalsContact CE1-C 3.42Å; F180-F282 HydrophobicContact CD1-CB 3.96Å; F180-F282 HydrophobicContact CD2-CB 3.61Å; F180-F282 HydrophobicContact CD2-CD1 4.06Å; F180-F282 HydrophobicContact CD2-CG 4.27Å; F180-F282 HydrophobicContact CE1-CB 3.88Å; F180-F282 HydrophobicContact CE2-CB 3.52Å; F180-F282 HydrophobicContact CE2-CD1 4.12Å; F180-F282 HydrophobicContact CE2-CG 4.1Å; F180-F282 HydrophobicContact CG-CB 3.84Å; F180-F282 HydrophobicContact CZ-CB 3.67Å | ||
| 181 | D | 95.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | trans | -88 | 3.3 | -169.5 | 63.5 | -21 | 0 | 0 | 0 | 114 | G167 K169 K170 K179 | G167-D181 PolarHBondContact O-N 2.99Å; K169-D181 VanDerWaalsContact CB-OD1 3.3Å; K169-D181 WeakPolarHBondContact CB-OD1 3.3Å; K169-D181 PolarHBondContact N-OD1 3.43Å; K170-D181 WeakPolarHBondContact CD-OD2 3.3Å; K170-D181 VanDerWaalsContact CE-OD2 3.24Å; K170-D181 WeakPolarHBondContact CE-OD2 3.3Å; K170-D181 WeakPolarHBondContact CG-OD2 3.44Å; K170-D181 IonicContact NZ-OD2 3.64Å; K179-D181 VanDerWaalsContact C-N 3.27Å; K179-D181 PolarHBondContact O-N 3.48Å | ||
| 182 | D | 96.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 69.9 | 177.6 | -157 | 3.5 | 0 | 0 | 0 | 111.7 | A166 G167 K169 F180 V184 K278 | A166-D182 WeakPolarHBondContact CA-O 3.48Å; G167-D182 PolarHBondContact N-O 2.88Å; G167-D182 WeakPolarHBondContact O-CB 3.46Å; G167-D182 PolarHBondContact O-N 2.85Å; K169-D182 HydrophobicContact CD-CB 3.78Å; K169-D182 VanDerWaalsContact CE-OD1 3.29Å; K169-D182 WeakPolarHBondContact CE-OD1 3.39Å; K169-D182 WeakPolarHBondContact CE-OD2 3.34Å; K169-D182 HydrophobicContact CG-CB 3.87Å; K169-D182 IonicContact NZ-OD1 3.72Å; K169-D182 PolarHBondContact NZ-OD1 3.42Å; K169-D182 IonicContact NZ-OD2 2.73Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 2.81Å; D182-V184 PolarHBondContact O-N 2.82Å; D182-K278 HydrophobicContact CB-CD 4.22Å; D182-K278 WeakPolarHBondContact O-CE 3.41Å; D182-K278 IonicContact OD1-NZ 3.33Å; D182-K278 PolarHBondContact OD1-NZ 3.3Å; D182-K278 WeakPolarHBondContact OD2-CE 3.32Å; D182-K278 IonicContact OD2-NZ 2.59Å; D182-K278 PolarHBondContact OD2-NZ 3.49Å |
| 183 | V | 97.6 | Very high | 97 | Very high | 55 Ų | 55 | 57 Ų | 57 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126 | -176.2 | -177 | 0 | 0 | 0 | 0 | 110.9 | A166 N186 Y191 P193 | A166-V183 HydrophobicContact CB-CG2 4.16Å; V183-N186 HydrophobicContact CG1-CB 3.75Å; V183-Y191 HydrophobicContact CG2-CD1 4.21Å; V183-Y191 HydrophobicContact CG2-CE1 4.19Å; V183-P193 HydrophobicContact CG2-CB 3.75Å; V183-P193 HydrophobicContact CG2-CG 3.92Å |
| 184 | V | 97.9 | Very high | 97.2 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -43.3 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | Y165 D182 K278 | Y165-V184 HydrophobicContact CD1-CB 3.57Å; Y165-V184 HydrophobicContact CD1-CG1 3.93Å; Y165-V184 HydrophobicContact CD1-CG2 3.88Å; Y165-V184 HydrophobicContact CE1-CB 4.02Å; Y165-V184 HydrophobicContact CE1-CG1 4.31Å; Y165-V184 HydrophobicContact CE1-CG2 3.81Å; Y165-V184 PolarHBondContact O-N 3Å; D182-V184 PolarHBondContact O-N 2.82Å; V184-K278 HydrophobicContact CG2-CD 4.42Å |
| 185 | T | 98.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.9 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | F164 Y165 | F164-T185 CarbonylContact C-O 3.54Å; F164-T185 WeakPolarHBondContact CA-O 3.38Å; F164-T185 WeakPolarHBondContact CB-O 3.37Å; Y165-T185 PolarHBondContact N-O 2.93Å; Y165-T185 PolarHBondContact O-N 2.67Å; Y165-T185 VanDerWaalsContact O-N 3.11Å |
| 186 | N | 98.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 62.2 | 173.7 | -164 | 8.5 | 0 | 0 | 0 | 111.3 | A163 V183 G188 N189 H190 Y191 | A163-N186 CarbonylContact O-C 3.52Å; V183-N186 HydrophobicContact CG1-CB 3.75Å; N186-G188 PolarHBondContact O-N 2.76Å; N186-N189 PolarHBondContact O-N 3.02Å; N186-N189 VanDerWaalsContact O-N 3.11Å; N186-N189 PolarHBondContact O-OD1 2.97Å; N186-N189 WeakPolarHBondContact OD1-CA 3.3Å; N186-H190 PolarHBondContact OD1-N 2.88Å; N186-Y191 PolarHBondContact ND2-O 3.23Å; N186-Y191 PolarHBondContact OD1-N 3.15Å |
| 187 | L | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 48 Ų | 48 | 46% | 0.461 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 121.8 | 179.8 | -171.9 | 63.7 | 0 | 0 | 0 | 110 | K161 A163 N189 | K161-L187 HydrophobicContact CB-CD2 3.44Å; K161-L187 VanDerWaalsContact CB-CD2 3.44Å; K161-L187 HydrophobicContact CB-CG 4.22Å; K161-L187 HydrophobicContact CD-CD2 4.4Å; K161-L187 WeakPolarHBondContact O-CG 3.32Å; A163-L187 PolarHBondContact N-O 2.98Å; A163-L187 PolarHBondContact O-N 3.03Å; L187-N189 VanDerWaalsContact C-N 3.32Å |
| 188 | G | 95.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -6.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | N186 H190 | N186-G188 PolarHBondContact O-N 2.76Å; G188-H190 VanDerWaalsContact C-CD2 3.46Å; G188-H190 VanDerWaalsContact C-N 3.26Å; G188-H190 PolarHBondContact O-CD2 2.89Å; G188-H190 PolarHBondContact O-N 3.28Å; G188-H190 PolarHBondContact O-NE2 2.9Å |
| 189 | N | 97.6 | Very high | 97.9 | Very high | 133 Ų | 133 | 49.1 Ų | 49.1 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 55.9 | 35.2 | 178.7 | -57.8 | -54.1 | 0 | 0 | 0 | 114.4 | N186 L187 | N186-N189 PolarHBondContact O-N 3.02Å; N186-N189 VanDerWaalsContact O-N 3.11Å; N186-N189 PolarHBondContact O-OD1 2.97Å; N186-N189 WeakPolarHBondContact OD1-CA 3.3Å; L187-N189 VanDerWaalsContact C-N 3.32Å |
| 190 | H | 98.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 45 Ų | 45 | 17% | 0.167 | 27% | 0.265 | C | S | . | . | trans | -82.6 | -18.9 | 179 | -64.8 | -76.5 | 0 | 0 | 0 | 113.2 | I162 N186 G188 F198 T199 S201 | I162-H190 HydrophobicContact CG2-CB 4.31Å; N186-H190 PolarHBondContact OD1-N 2.88Å; G188-H190 VanDerWaalsContact C-CD2 3.46Å; G188-H190 VanDerWaalsContact C-N 3.26Å; G188-H190 PolarHBondContact O-CD2 2.89Å; G188-H190 PolarHBondContact O-N 3.28Å; G188-H190 PolarHBondContact O-NE2 2.9Å; H190-F198 HydrophobicContact CB-CD2 3.74Å; H190-F198 HydrophobicContact CB-CE2 3.36Å; H190-F198 HydrophobicContact CB-CZ 3.99Å; H190-F198 CarbonylContact O-C 3.48Å; H190-F198 VanDerWaalsContact O-CA 3.32Å; H190-F198 WeakPolarHBondContact O-CA 3.27Å; H190-T199 PolarHBondContact ND1-O 3.15Å; H190-T199 PolarHBondContact O-N 2.84Å; H190-S201 PolarHBondContact CE1-OG 2.73Å; H190-S201 PolarHBondContact ND1-OG 2.81Å | ||
| 191 | Y | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127.6 | 171.9 | -177.8 | -102 | 0 | 0 | 0 | 110.6 | F164 A166 F180 V183 N186 P193 G196 K197 F198 F282 | F164-Y191 HydrophobicContact CD2-CD1 4.18Å; F164-Y191 AromaticContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CD2 3.65Å; F164-Y191 HydrophobicContact CD2-CE2 4.37Å; F164-Y191 AromaticContact CD2-CG 3.55Å; F164-Y191 HydrophobicContact CD2-CG 3.55Å; F164-Y191 AromaticContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CD2 3.55Å; F164-Y191 HydrophobicContact CE2-CE2 4.02Å; F164-Y191 AromaticContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CE2-CG 3.98Å; F164-Y191 HydrophobicContact CG-CD2 4.37Å; F164-Y191 HydrophobicContact CG-CG 4.08Å; F164-Y191 HydrophobicContact CZ-CD2 4.2Å; A166-Y191 HydrophobicContact CB-CD1 4.32Å; A166-Y191 HydrophobicContact CB-CE1 3.79Å; F180-Y191 VanDerWaalsContact CB-OH 3.3Å; F180-Y191 WeakPolarHBondContact CB-OH 3.35Å; F180-Y191 PolarHBondContact N-OH 3.37Å; F180-Y191 WeakPolarHBondContact O-CE1 3.41Å; F180-Y191 PolarHBondContact O-OH 3.41Å; V183-Y191 HydrophobicContact CG2-CD1 4.21Å; V183-Y191 HydrophobicContact CG2-CE1 4.19Å; N186-Y191 PolarHBondContact ND2-O 3.23Å; N186-Y191 PolarHBondContact OD1-N 3.15Å; Y191-P193 HydrophobicContact CE1-CB 4.06Å; Y191-G196 WeakPolarHBondContact CE2-O 3.25Å; Y191-G196 WeakPolarHBondContact OH-CA 3.34Å; Y191-K197 WeakPolarHBondContact CA-O 3.41Å; Y191-F198 HydrophobicContact CD2-CB 4.39Å; Y191-F282 AromaticContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CE1 4.19Å |
| 192 | D | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 48.1 Ų | 48.1 | 31% | 0.31 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.1 | 174 | 169.3 | 22.8 | 0 | 0 | 0 | 110.5 | T194 S195 G196 K197 | D192-T194 VanDerWaalsContact CG-OG1 3.24Å; D192-T194 PolarHBondContact O-N 2.99Å; D192-T194 WeakPolarHBondContact OD1-CB 3.18Å; D192-T194 PolarHBondContact OD1-N 3.28Å; D192-T194 PolarHBondContact OD1-OG1 2.78Å; D192-T194 PolarHBondContact OD2-OG1 2.58Å; D192-S195 WeakPolarHBondContact CB-OG 3.48Å; D192-S195 VanDerWaalsContact CG-OG 3.28Å; D192-S195 PolarHBondContact O-N 2.9Å; D192-S195 PolarHBondContact O-OG 2.89Å; D192-S195 VanDerWaalsContact OD2-CB 3.29Å; D192-S195 WeakPolarHBondContact OD2-CB 3.44Å; D192-S195 PolarHBondContact OD2-N 3.1Å; D192-S195 PolarHBondContact OD2-OG 3.04Å; D192-G196 WeakPolarHBondContact O-CA 3.05Å; D192-G196 PolarHBondContact O-N 2.84Å; D192-K197 PolarHBondContact N-O 3.4Å; D192-K197 PolarHBondContact O-N 2.76Å |
| 193 | P | 97.9 | Very high | 98 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.2 | -179.8 | 28.4 | -34.8 | 0 | 0 | 0 | 113.6 | V183 Y191 | V183-P193 HydrophobicContact CG2-CB 3.75Å; V183-P193 HydrophobicContact CG2-CG 3.92Å; Y191-P193 HydrophobicContact CE1-CB 4.06Å |
| 194 | T | 97.8 | Very high | 98.1 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -33.7 | 179.5 | 72 | 0 | 0 | 0 | 0 | 112 | K179 D192 | K179-T194 WeakPolarHBondContact CD-O 2.95Å; K179-T194 WeakPolarHBondContact CE-O 3.45Å; D192-T194 VanDerWaalsContact CG-OG1 3.24Å; D192-T194 PolarHBondContact O-N 2.99Å; D192-T194 WeakPolarHBondContact OD1-CB 3.18Å; D192-T194 PolarHBondContact OD1-N 3.28Å; D192-T194 PolarHBondContact OD1-OG1 2.78Å; D192-T194 PolarHBondContact OD2-OG1 2.58Å |
| 195 | S | 98.1 | Very high | 98.1 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -23.3 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | V177 D192 K197 | V177-S195 WeakPolarHBondContact CG1-O 3.31Å; D192-S195 WeakPolarHBondContact CB-OG 3.48Å; D192-S195 VanDerWaalsContact CG-OG 3.28Å; D192-S195 PolarHBondContact O-N 2.9Å; D192-S195 PolarHBondContact O-OG 2.89Å; D192-S195 VanDerWaalsContact OD2-CB 3.29Å; D192-S195 WeakPolarHBondContact OD2-CB 3.44Å; D192-S195 PolarHBondContact OD2-N 3.1Å; D192-S195 PolarHBondContact OD2-OG 3.04Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact OG-N 2.8Å |
| 196 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 12.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y191 D192 | Y191-G196 WeakPolarHBondContact CE2-O 3.25Å; Y191-G196 WeakPolarHBondContact OH-CA 3.34Å; D192-G196 WeakPolarHBondContact O-CA 3.05Å; D192-G196 PolarHBondContact O-N 2.84Å |
| 197 | K | 98.9 | Very high | 98.1 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.1 | -169.2 | -53 | -172.5 | -177.8 | 179.7 | 0 | 112.4 | Y191 D192 S195 E261 Y263 | Y191-K197 WeakPolarHBondContact CA-O 3.41Å; D192-K197 PolarHBondContact N-O 3.4Å; D192-K197 PolarHBondContact O-N 2.76Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact OG-N 2.8Å; K197-E261 HydrophobicContact CD-CB 4.29Å; K197-E261 VanDerWaalsContact CD-CD 3.48Å; K197-E261 HydrophobicContact CD-CG 4.26Å; K197-E261 VanDerWaalsContact CD-OE1 3.25Å; K197-E261 WeakPolarHBondContact CD-OE1 3.41Å; K197-E261 IonicContact NZ-OE1 3.71Å; K197-E261 PolarHBondContact NZ-OE1 2.94Å; K197-E261 IonicContact NZ-OE2 3.41Å; K197-E261 PolarHBondContact NZ-OE2 3.32Å; K197-Y263 HydrophobicContact CD-CD1 4.26Å; K197-Y263 HydrophobicContact CG-CD1 4.21Å; K197-Y263 HydrophobicContact CG-CG 4.24Å |
| 198 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.8 | 160.6 | 172.7 | -86.3 | 0 | 0 | 0 | 109 | I162 F164 H190 Y191 C200 Y206 F208 L256 E261 I262 | I162-F198 HydrophobicContact CG2-CE2 3.61Å; I162-F198 HydrophobicContact CG2-CZ 3.84Å; F164-F198 AromaticContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CD2 3.65Å; F164-F198 HydrophobicContact CD1-CE2 4.18Å; F164-F198 HydrophobicContact CE1-CB 4.12Å; F164-F198 AromaticContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CD2 3.58Å; F164-F198 HydrophobicContact CE1-CE2 4.31Å; F164-F198 HydrophobicContact CE1-CG 4.07Å; F164-F198 HydrophobicContact CZ-CB 4.29Å; H190-F198 HydrophobicContact CB-CD2 3.74Å; H190-F198 HydrophobicContact CB-CE2 3.36Å; H190-F198 HydrophobicContact CB-CZ 3.99Å; H190-F198 CarbonylContact O-C 3.48Å; H190-F198 VanDerWaalsContact O-CA 3.32Å; H190-F198 WeakPolarHBondContact O-CA 3.27Å; Y191-F198 HydrophobicContact CD2-CB 4.39Å; F198-C200 HydrophobicContact CE1-CB 4.24Å; F198-Y206 HydrophobicContact CE1-CD1 4.3Å; F198-Y206 HydrophobicContact CE1-CE1 4.2Å; F198-Y206 AromaticContact CZ-CD1 3.98Å; F198-Y206 HydrophobicContact CZ-CD1 3.98Å; F198-Y206 AromaticContact CZ-CE1 3.7Å; F198-Y206 HydrophobicContact CZ-CE1 3.7Å; F198-F208 HydrophobicContact CB-CE1 4.39Å; F198-F208 AromaticContact CD1-CE1 3.94Å; F198-F208 HydrophobicContact CD1-CE1 3.94Å; F198-F208 AromaticContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD2-CE1 4.46Å; F198-F208 HydrophobicContact CE1-CE1 4.34Å; F198-F208 AromaticContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CG-CE1 4.01Å; F198-F208 HydrophobicContact CG-CZ 4.4Å; F198-L256 HydrophobicContact CD1-CD1 4.42Å; F198-L256 HydrophobicContact CE1-CD1 3.92Å; F198-E261 CarbonylContact O-C 3.15Å; F198-E261 WeakPolarHBondContact O-CA 3.29Å; F198-I262 HydrophobicContact CB-CB 4.3Å; F198-I262 HydrophobicContact CD1-CB 4.28Å; F198-I262 HydrophobicContact CD1-CG1 4.27Å; F198-I262 PolarHBondContact N-O 2.88Å; F198-I262 PolarHBondContact O-N 2.9Å |
| 199 | T | 98.8 | Very high | 98.4 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.6 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | H190 | H190-T199 PolarHBondContact ND1-O 3.15Å; H190-T199 PolarHBondContact O-N 2.84Å |
| 200 | C | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | trans | -65.9 | 137 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | F198 I202 L256 E257 G259 D260 | F198-C200 HydrophobicContact CE1-CB 4.24Å; C200-I202 PolarHBondContact SG-O 3.34Å; C200-L256 HydrophobicContact CB-CB 3.95Å; C200-L256 HydrophobicContact CB-CD1 4.06Å; C200-L256 VanDerWaalsContact SG-CB 3.6Å; C200-E257 VanDerWaalsContact CB-O 3.27Å; C200-E257 WeakPolarHBondContact CB-O 3.35Å; C200-E257 PolarHBondContact SG-O 2.9Å; C200-E257 VanDerWaalsContact SG-O 3.34Å; C200-G259 PolarHBondContact O-N 3.37Å; C200-D260 HydrophobicContact CB-CB 4.2Å; C200-D260 PolarHBondContact N-O 2.89Å | ||
| 201 | S | 97.3 | Very high | 98.4 | Very high | 62 Ų | 62 | 33.3 Ų | 33.3 | 43% | 0.434 | 19% | 0.189 | S | C | . | . | trans | -125 | -8.3 | 170.9 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | H190 | H190-S201 PolarHBondContact CE1-OG 2.73Å; H190-S201 PolarHBondContact ND1-OG 2.81Å | ||
| 202 | I | 97 | Very high | 98.4 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -131.9 | 122.2 | -176.5 | -60.4 | -179.3 | 0 | 0 | 0 | 107.4 | P160 I162 C200 Y206 I286 V289 | P160-I202 HydrophobicContact CB-CD1 3.46Å; P160-I202 VanDerWaalsContact CB-CD1 3.46Å; P160-I202 HydrophobicContact CG-CD1 3.71Å; I162-I202 HydrophobicContact CD1-CB 4.47Å; I162-I202 HydrophobicContact CD1-CD1 3.99Å; I162-I202 HydrophobicContact CD1-CG1 4.35Å; C200-I202 PolarHBondContact SG-O 3.34Å; I202-Y206 WeakPolarHBondContact O-CE2 3.26Å; I202-Y206 PolarHBondContact O-OH 2.84Å; I202-I286 HydrophobicContact CG2-CD1 4.47Å; I202-V289 HydrophobicContact CG2-CG1 3.74Å; I202-V289 HydrophobicContact CG2-CG2 4.29Å |
| 203 | P | 98.2 | Very high | 98.2 | Very high | 43 Ų | 43 | 31 Ų | 31 | 28% | 0.279 | 18% | 0.176 | S | C | . | . | trans | -62.5 | 138.3 | 178 | 28.4 | -33.9 | 0 | 0 | 0 | 110.5 | L256 D290 | P203-L256 VanDerWaalsContact CA-O 3.29Å; P203-L256 WeakPolarHBondContact CA-O 3.32Å; P203-D290 HydrophobicContact CB-CB 4.35Å; P203-D290 HydrophobicContact CG-CB 4.49Å; P203-D290 PolarHBondContact O-N 3.5Å | ||
| 204 | G | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | -175.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y206 H255 L256 Y288 D290 | G204-Y206 WeakPolarHBondContact O-CD2 3.13Å; G204-H255 WeakPolarHBondContact O-CA 3.38Å; G204-L256 PolarHBondContact N-O 3.13Å; G204-L256 VanDerWaalsContact N-O 3.16Å; G204-L256 PolarHBondContact O-N 3.07Å; G204-Y288 CarbonylContact C-O 3.55Å; G204-Y288 WeakPolarHBondContact CA-O 3.31Å; G204-D290 WeakPolarHBondContact CA-OD1 3.33Å |
| 205 | I | 98.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 27.4 Ų | 27.4 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.4 | 176.7 | -54.5 | -60.3 | 0 | 0 | 0 | 109.7 | V253 H255 I287 Y288 | I205-V253 HydrophobicContact CG2-CG1 3.36Å; I205-H255 HydrophobicContact CD1-CB 3.71Å; I205-I287 HydrophobicContact CG2-CB 4.39Å; I205-I287 HydrophobicContact CG2-CD1 4.04Å; I205-I287 HydrophobicContact CG2-CG1 4.49Å; I205-I287 WeakPolarHBondContact O-CA 3.36Å; I205-I287 WeakPolarHBondContact O-CB 3.38Å; I205-I287 PolarHBondContact O-N 3.33Å; I205-Y288 HydrophobicContact CB-CD2 4.32Å; I205-Y288 PolarHBondContact N-O 3.45Å; I205-Y288 PolarHBondContact O-N 3.23Å |
| 206 | Y | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.6 | -177.7 | -67.6 | -101.7 | 0 | 0 | 0 | 111.1 | I162 F198 I202 G204 F208 V253 L254 L256 F285 I286 | I162-Y206 HydrophobicContact CD1-CE1 4.39Å; I162-Y206 HydrophobicContact CG2-CE1 4.27Å; F198-Y206 HydrophobicContact CE1-CD1 4.3Å; F198-Y206 HydrophobicContact CE1-CE1 4.2Å; F198-Y206 AromaticContact CZ-CD1 3.98Å; F198-Y206 HydrophobicContact CZ-CD1 3.98Å; F198-Y206 AromaticContact CZ-CE1 3.7Å; F198-Y206 HydrophobicContact CZ-CE1 3.7Å; I202-Y206 WeakPolarHBondContact O-CE2 3.26Å; I202-Y206 PolarHBondContact O-OH 2.84Å; G204-Y206 WeakPolarHBondContact O-CD2 3.13Å; Y206-F208 VanDerWaalsContact CB-CE2 3.4Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 HydrophobicContact CG-CZ 4.3Å; Y206-V253 CarbonylContact O-C 3.47Å; Y206-V253 VanDerWaalsContact O-CA 3.29Å; Y206-V253 WeakPolarHBondContact O-CA 3.47Å; Y206-L254 PolarHBondContact N-O 2.86Å; Y206-L254 PolarHBondContact O-N 3.17Å; Y206-L256 HydrophobicContact CD1-CD1 4.36Å; Y206-L256 HydrophobicContact CD2-CB 3.86Å; Y206-L256 HydrophobicContact CD2-CD1 3.59Å; Y206-L256 HydrophobicContact CD2-CG 3.68Å; Y206-L256 HydrophobicContact CE2-CB 3.94Å; Y206-L256 HydrophobicContact CE2-CD1 4.06Å; Y206-L256 HydrophobicContact CE2-CG 4.23Å; Y206-L256 HydrophobicContact CG-CD1 3.76Å; Y206-L256 HydrophobicContact CG-CG 4.24Å; Y206-F285 WeakPolarHBondContact CA-O 3.18Å; Y206-I286 HydrophobicContact CD1-CB 3.86Å; Y206-I286 HydrophobicContact CD1-CG1 4.2Å; Y206-I286 HydrophobicContact CE1-CB 3.6Å; Y206-I286 HydrophobicContact CE1-CD1 4.07Å; Y206-I286 HydrophobicContact CE1-CG1 3.84Å; Y206-I286 HydrophobicContact CE2-CD1 4.3Å; Y206-I286 HydrophobicContact CE2-CG1 4.27Å |
| 207 | F | 98.9 | Very high | 95.2 | Very high | 53 Ų | 53 | 28.3 Ų | 28.3 | 23% | 0.232 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.9 | 168 | 175.8 | -101.1 | 0 | 0 | 0 | 109.9 | T209 V253 G284 F285 I287 | F207-T209 HydrophobicContact CE1-CG2 3.64Å; F207-T209 HydrophobicContact CZ-CG2 4.03Å; F207-V253 HydrophobicContact CD2-CG2 4.03Å; F207-G284 CarbonylContact O-C 3.59Å; F207-G284 WeakPolarHBondContact O-CA 3.46Å; F207-F285 HydrophobicContact CB-CE1 4.2Å; F207-F285 HydrophobicContact CB-CE2 4.1Å; F207-F285 HydrophobicContact CB-CZ 3.92Å; F207-F285 HydrophobicContact CD1-CD1 4.1Å; F207-F285 AromaticContact CD1-CE1 3.38Å; F207-F285 HydrophobicContact CD1-CE1 3.38Å; F207-F285 AromaticContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CE1-CE1 4.11Å; F207-F285 HydrophobicContact CG-CE1 4.14Å; F207-F285 HydrophobicContact CG-CZ 4.06Å; F207-F285 PolarHBondContact N-O 3.13Å; F207-F285 PolarHBondContact O-N 3.06Å; F207-I287 HydrophobicContact CB-CD1 3.93Å; F207-I287 HydrophobicContact CB-CG1 4.12Å |
| 208 | F | 98.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.9 | 171.3 | -60.9 | -84.2 | 0 | 0 | 0 | 110.5 | F164 F198 Y206 L226 S251 A252 L254 L256 I262 F282 S283 | F164-F208 HydrophobicContact CE1-CD1 4.05Å; F164-F208 AromaticContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CE1-CE1 3.85Å; F164-F208 HydrophobicContact CZ-CD1 4.17Å; F164-F208 HydrophobicContact CZ-CE1 4.3Å; F198-F208 HydrophobicContact CB-CE1 4.39Å; F198-F208 AromaticContact CD1-CE1 3.94Å; F198-F208 HydrophobicContact CD1-CE1 3.94Å; F198-F208 AromaticContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD1-CZ 3.86Å; F198-F208 HydrophobicContact CD2-CE1 4.46Å; F198-F208 HydrophobicContact CE1-CE1 4.34Å; F198-F208 AromaticContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CE1-CZ 3.98Å; F198-F208 HydrophobicContact CG-CE1 4.01Å; F198-F208 HydrophobicContact CG-CZ 4.4Å; Y206-F208 VanDerWaalsContact CB-CE2 3.4Å; Y206-F208 HydrophobicContact CD1-CZ 4.39Å; Y206-F208 HydrophobicContact CG-CE2 4.34Å; Y206-F208 HydrophobicContact CG-CZ 4.3Å; F208-L226 HydrophobicContact CB-CD1 3.58Å; F208-L226 HydrophobicContact CG-CD1 4.36Å; F208-S251 CarbonylContact O-C 3.36Å; F208-S251 WeakPolarHBondContact O-CA 2.93Å; F208-S251 WeakPolarHBondContact O-CB 3.33Å; F208-A252 PolarHBondContact N-O 2.9Å; F208-A252 PolarHBondContact O-N 2.84Å; F208-L254 HydrophobicContact CD2-CD1 4.36Å; F208-L256 HydrophobicContact CE2-CD1 3.88Å; F208-L256 HydrophobicContact CZ-CD1 3.77Å; F208-I262 HydrophobicContact CD1-CG2 3.9Å; F208-I262 HydrophobicContact CD2-CG2 4.14Å; F208-I262 HydrophobicContact CE1-CB 4.05Å; F208-I262 HydrophobicContact CE1-CG1 4.28Å; F208-I262 HydrophobicContact CE1-CG2 3.9Å; F208-I262 HydrophobicContact CE2-CB 4.42Å; F208-I262 HydrophobicContact CE2-CD1 4.46Å; F208-I262 HydrophobicContact CE2-CG1 3.9Å; F208-I262 HydrophobicContact CE2-CG2 4.15Å; F208-I262 HydrophobicContact CG-CG2 4.02Å; F208-I262 HydrophobicContact CZ-CB 4Å; F208-I262 HydrophobicContact CZ-CG1 3.71Å; F208-I262 HydrophobicContact CZ-CG2 4.05Å; F208-F282 HydrophobicContact CB-CE2 4.21Å; F208-F282 HydrophobicContact CD1-CE2 4.08Å; F208-F282 HydrophobicContact CD1-CZ 4.01Å; F208-S283 WeakPolarHBondContact CA-O 3.28Å |
| 209 | T | 98.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 14% | 0.141 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 144.9 | 170.8 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | F207 N250 F282 S283 | F207-T209 HydrophobicContact CE1-CG2 3.64Å; F207-T209 HydrophobicContact CZ-CG2 4.03Å; T209-N250 WeakPolarHBondContact CA-O 3.34Å; T209-N250 PolarHBondContact OG1-O 2.83Å; T209-F282 WeakPolarHBondContact O-CD2 3.23Å; T209-S283 VanDerWaalsContact CG2-OG 3.24Å; T209-S283 WeakPolarHBondContact CG2-OG 3.2Å; T209-S283 PolarHBondContact N-O 3.44Å; T209-S283 PolarHBondContact O-N 3.01Å |
| 210 | Y | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152 | 177.3 | 67 | -89.3 | 0 | 0 | 0 | 110.7 | V212 A224 L226 A236 A248 S249 N250 I264 T281 | Y210-V212 HydrophobicContact CD2-CG2 4.04Å; Y210-A224 HydrophobicContact CD2-CB 4.36Å; Y210-A224 HydrophobicContact CE2-CB 3.8Å; Y210-A224 PolarHBondContact OH-O 3.39Å; Y210-L226 HydrophobicContact CD1-CB 4.14Å; Y210-L226 HydrophobicContact CD1-CD1 4.18Å; Y210-L226 HydrophobicContact CE1-CB 3.72Å; Y210-L226 HydrophobicContact CE1-CD1 4.43Å; Y210-A236 HydrophobicContact CE2-CB 4.21Å; Y210-A236 WeakPolarHBondContact OH-CB 2.8Å; Y210-A236 PolarHBondContact OH-N 2.8Å; Y210-A248 WeakPolarHBondContact CE2-O 3.49Å; Y210-S249 VanDerWaalsContact O-CA 3.29Å; Y210-S249 WeakPolarHBondContact O-CA 3.34Å; Y210-S249 WeakPolarHBondContact O-CB 3.35Å; Y210-N250 HydrophobicContact CE1-CB 3.62Å; Y210-N250 HydrophobicContact CE2-CB 4.42Å; Y210-N250 PolarHBondContact N-O 3.22Å; Y210-N250 VanDerWaalsContact N-O 3.1Å; Y210-N250 PolarHBondContact O-N 3.15Å; Y210-N250 VanDerWaalsContact OH-CB 3.22Å; Y210-N250 WeakPolarHBondContact OH-CB 3.46Å; Y210-I264 HydrophobicContact CD1-CD1 3.44Å; Y210-I264 VanDerWaalsContact CD1-CD1 3.44Å; Y210-I264 HydrophobicContact CD1-CG1 4.44Å; Y210-I264 HydrophobicContact CD2-CD1 4.47Å; Y210-I264 HydrophobicContact CE1-CD1 4.1Å; Y210-I264 HydrophobicContact CG-CD1 3.64Å; Y210-I264 HydrophobicContact CG-CG1 4.16Å; Y210-T281 VanDerWaalsContact CA-O 3.31Å; Y210-T281 WeakPolarHBondContact CA-O 2.97Å |
| 211 | H | 98.4 | Very high | 91.9 | Very high | 79 Ų | 79 | 32.3 Ų | 32.3 | 37% | 0.366 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 113.5 | 170.9 | -60 | -80.8 | 0 | 0 | 0 | 106.9 | Y247 S249 S280 T281 | H211-Y247 HydrophobicContact CB-CD1 3.95Å; H211-Y247 HydrophobicContact CB-CE1 3.94Å; H211-S249 WeakPolarHBondContact CA-OG 3.16Å; H211-S249 VanDerWaalsContact ND1-CB 3.29Å; H211-S249 WeakPolarHBondContact ND1-CB 3.23Å; H211-S249 PolarHBondContact ND1-OG 3.07Å; H211-S280 CarbonylContact O-C 3.52Å; H211-S280 WeakPolarHBondContact O-CA 3.23Å; H211-T281 PolarHBondContact N-O 2.8Å; H211-T281 PolarHBondContact O-N 2.95Å |
| 212 | V | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.3 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | L178 F180 Y210 M222 A224 Y247 A248 I264 A271 | L178-V212 HydrophobicContact CD1-CB 4.45Å; L178-V212 HydrophobicContact CD1-CG1 3.84Å; L178-V212 HydrophobicContact CD1-CG2 3.68Å; F180-V212 HydrophobicContact CZ-CG2 4.21Å; Y210-V212 HydrophobicContact CD2-CG2 4.04Å; V212-M222 HydrophobicContact CB-CE 4Å; V212-M222 HydrophobicContact CG1-CE 3.61Å; V212-M222 HydrophobicContact CG1-SD 3.95Å; V212-M222 WeakPolarHBondContact O-CE 3.49Å; V212-A224 HydrophobicContact CB-CB 4.12Å; V212-A224 HydrophobicContact CG2-CB 3.95Å; V212-Y247 WeakPolarHBondContact O-CA 3.28Å; V212-A248 PolarHBondContact N-O 2.94Å; V212-A248 PolarHBondContact O-N 3.33Å; V212-I264 HydrophobicContact CG2-CG2 4.29Å; V212-A271 HydrophobicContact CG1-CB 3.72Å |
| 213 | L | 95.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 120.4 | 176.6 | 179.9 | 60.1 | 0 | 0 | 0 | 109.3 | Y245 Y247 H272 Y279 S280 | L213-Y245 HydrophobicContact CD1-CD1 3.9Å; L213-Y245 HydrophobicContact CD1-CG 4.4Å; L213-Y245 HydrophobicContact CD2-CD1 3.88Å; L213-Y245 HydrophobicContact CD2-CE1 4.32Å; L213-Y245 HydrophobicContact CG-CD1 3.88Å; L213-Y247 HydrophobicContact CB-CD1 4.38Å; L213-Y247 HydrophobicContact CB-CE1 3.84Å; L213-Y247 HydrophobicContact CD1-CD2 4.01Å; L213-Y247 HydrophobicContact CD1-CE1 4.47Å; L213-Y247 HydrophobicContact CD1-CE2 3.71Å; L213-H272 HydrophobicContact CB-CB 4.2Å; L213-H272 HydrophobicContact CD2-CB 3.99Å; L213-H272 HydrophobicContact CG-CB 3.94Å; L213-H272 WeakPolarHBondContact O-CB 3.39Å; L213-H272 PolarHBondContact O-N 3.44Å; L213-Y279 HydrophobicContact CD2-CD1 4.23Å; L213-Y279 HydrophobicContact CD2-CG 3.94Å; L213-S280 PolarHBondContact N-OG 3.5Å |
| 214 | M | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 135 | 169.9 | -176.3 | 176.1 | 74.9 | 0 | 0 | 109.8 | G216 M222 A238 D240 N244 Y245 D246 | M214-G216 PolarHBondContact O-N 3.48Å; M214-M222 HydrophobicContact CB-CB 4.17Å; M214-M222 HydrophobicContact CB-CE 3.9Å; M214-M222 HydrophobicContact CB-SD 4.12Å; M214-M222 HydrophobicContact CG-CB 3.73Å; M214-M222 HydrophobicContact CG-SD 4.4Å; M214-M222 HydrophobicContact SD-CB 3.91Å; M214-A238 HydrophobicContact CB-CB 3.74Å; M214-A238 HydrophobicContact CG-CB 4.43Å; M214-A238 HydrophobicContact SD-CB 4.01Å; M214-D240 HydrophobicContact CE-CB 4.15Å; M214-N244 WeakPolarHBondContact CE-O 3.2Å; M214-Y245 WeakPolarHBondContact O-CD1 3.39Å; M214-D246 WeakPolarHBondContact CB-O 3.27Å; M214-D246 HydrophobicContact CE-CB 4.21Å; M214-D246 PolarHBondContact N-O 2.99Å |
| 215 | R | 86.3 | Confident | 91.9 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 26% | 0.26 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 117.5 | 174 | -179.5 | 177.6 | 169.8 | -170.4 | -11.8 | 109.8 | D218 K270 H272 | R215-D218 IonicContact CZ-OD2 3.72Å; R215-D218 IonicContact NE-OD2 3.78Å; R215-D218 IonicContact NH2-OD2 3.64Å; R215-D218 PolarHBondContact NH2-OD2 2.86Å; R215-K270 HydrophobicContact CB-CB 4.06Å; R215-K270 PolarHBondContact N-O 2.86Å; R215-H272 HydrophobicContact CB-CB 4.19Å |
| 216 | G | 76.8 | Confident | 91.9 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 157.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M214 Q243 | M214-G216 PolarHBondContact O-N 3.48Å; G216-Q243 CarbonylContact C-O 3.42Å; G216-Q243 WeakPolarHBondContact CA-O 3.46Å |
| 217 | G | 71.7 | Confident | 91.9 | Very high | 43 Ų | 43 | 28.3 Ų | 28.3 | 44% | 0.443 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 0.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q243 | G217-Q243 VanDerWaalsContact CA-OE1 3.3Å; G217-Q243 PolarHBondContact N-O 3.01Å; G217-Q243 PolarHBondContact O-OE1 2.96Å |
| 218 | D | 69.1 | Low | 91.9 | Very high | 72 Ų | 72 | 27.9 Ų | 27.9 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -147.8 | 62.2 | -175.7 | -83.9 | -39.6 | 0 | 0 | 0 | 112.1 | R215 K270 | R215-D218 IonicContact CZ-OD2 3.72Å; R215-D218 IonicContact NE-OD2 3.78Å; R215-D218 IonicContact NH2-OD2 3.64Å; R215-D218 PolarHBondContact NH2-OD2 2.86Å; D218-K270 HydrophobicContact CB-CD 3.87Å; D218-K270 IonicContact OD2-NZ 3.71Å |
| 219 | G | 76.3 | Confident | 91.8 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | trans | 123 | 157.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 220 | T | 86.2 | Confident | 91.7 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -100.7 | -10.8 | -177.6 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | Q239 D240 Q243 | T220-Q239 VanDerWaalsContact O-CA 3.24Å; T220-Q239 WeakPolarHBondContact O-CA 3.22Å; T220-Q239 WeakPolarHBondContact O-CG 3.29Å; T220-D240 WeakPolarHBondContact CA-O 3.5Å; T220-D240 PolarHBondContact O-N 2.56Å; T220-Q243 HydrophobicContact CG2-CG 4.45Å |
| 221 | S | 93 | Very high | 91.7 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 145.7 | -172.2 | -49.7 | 0 | 0 | 0 | 0 | 112 | W223 A238 Q239 G269 | S221-W223 VanDerWaalsContact CB-CH2 3.49Å; S221-A238 CarbonylContact C-O 3.55Å; S221-A238 VanDerWaalsContact CA-O 3.29Å; S221-A238 WeakPolarHBondContact CA-O 3.44Å; S221-Q239 PolarHBondContact OG-NE2 3.13Å; S221-G269 WeakPolarHBondContact O-CA 3.36Å |
| 222 | M | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139 | 172.7 | 179.1 | -164.7 | 73.5 | 0 | 0 | 109.4 | V212 M214 I237 A238 A248 L266 G268 K270 A271 | V212-M222 HydrophobicContact CB-CE 4Å; V212-M222 HydrophobicContact CG1-CE 3.61Å; V212-M222 HydrophobicContact CG1-SD 3.95Å; V212-M222 WeakPolarHBondContact O-CE 3.49Å; M214-M222 HydrophobicContact CB-CB 4.17Å; M214-M222 HydrophobicContact CB-CE 3.9Å; M214-M222 HydrophobicContact CB-SD 4.12Å; M214-M222 HydrophobicContact CG-CB 3.73Å; M214-M222 HydrophobicContact CG-SD 4.4Å; M214-M222 HydrophobicContact SD-CB 3.91Å; M222-I237 WeakPolarHBondContact O-CA 3.29Å; M222-A238 HydrophobicContact CE-CB 4.24Å; M222-A238 PolarHBondContact N-O 3.04Å; M222-A238 PolarHBondContact O-N 3.19Å; M222-A248 HydrophobicContact CE-CB 3.67Å; M222-L266 HydrophobicContact CG-CD2 3.75Å; M222-L266 HydrophobicContact SD-CD2 3.87Å; M222-G268 WeakPolarHBondContact CA-O 3.29Å; M222-K270 VanDerWaalsContact SD-O 3.34Å; M222-A271 HydrophobicContact SD-CB 4.14Å |
| 223 | W | 97.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 48 Ų | 48 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.2 | 173.2 | -66.9 | -97.7 | 0 | 0 | 0 | 110.4 | S221 A236 I237 L266 D267 G268 | S221-W223 VanDerWaalsContact CB-CH2 3.49Å; W223-A236 WeakPolarHBondContact CA-O 3.43Å; W223-I237 HydrophobicContact CD2-CD1 4.47Å; W223-I237 HydrophobicContact CD2-CG1 4.25Å; W223-I237 VanDerWaalsContact CE2-CD1 3.46Å; W223-I237 HydrophobicContact CG-CG1 4.39Å; W223-I237 HydrophobicContact CH2-CD1 4.4Å; W223-I237 HydrophobicContact CZ2-CD1 3.42Å; W223-I237 VanDerWaalsContact CZ2-CD1 3.42Å; W223-I237 HydrophobicContact CZ2-CG1 4.07Å; W223-L266 WeakPolarHBondContact O-CA 3.39Å; W223-L266 WeakPolarHBondContact O-CD2 3.4Å; W223-D267 HydrophobicContact CB-CB 3.96Å; W223-D267 PolarHBondContact O-N 3.34Å; W223-G268 PolarHBondContact N-O 3.4Å |
| 224 | A | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y210 V212 A236 A248 I264 | Y210-A224 HydrophobicContact CD2-CB 4.36Å; Y210-A224 HydrophobicContact CE2-CB 3.8Å; Y210-A224 PolarHBondContact OH-O 3.39Å; V212-A224 HydrophobicContact CB-CB 4.12Å; V212-A224 HydrophobicContact CG2-CB 3.95Å; A224-A236 PolarHBondContact N-O 2.86Å; A224-A236 PolarHBondContact O-N 3.01Å; A224-A248 HydrophobicContact CB-CB 3.88Å; A224-I264 HydrophobicContact CB-CG2 4.07Å |
| 225 | D | 98.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.4 | -176.5 | -71.1 | -16.7 | 0 | 0 | 0 | 110.3 | V232 A234 S235 I264 K265 | D225-V232 HydrophobicContact CB-CG1 4.01Å; D225-V232 HydrophobicContact CB-CG2 4.12Å; D225-A234 CarbonylContact C-O 3.58Å; D225-A234 WeakPolarHBondContact CA-O 3.19Å; D225-S235 WeakPolarHBondContact OD1-CA 3.46Å; D225-S235 WeakPolarHBondContact OD1-CB 3.48Å; D225-S235 PolarHBondContact OD1-OG 2.99Å; D225-I264 CarbonylContact O-C 3.59Å; D225-I264 VanDerWaalsContact O-CA 3.26Å; D225-I264 WeakPolarHBondContact O-CA 3.4Å; D225-K265 PolarHBondContact N-O 3.05Å; D225-K265 PolarHBondContact O-N 3.35Å |
| 226 | L | 98.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 116.5 | 165.2 | -175.4 | 149.8 | 0 | 0 | 0 | 108.7 | F208 Y210 R233 A234 A252 L254 I262 I264 F282 | F208-L226 HydrophobicContact CB-CD1 3.58Å; F208-L226 HydrophobicContact CG-CD1 4.36Å; Y210-L226 HydrophobicContact CD1-CB 4.14Å; Y210-L226 HydrophobicContact CD1-CD1 4.18Å; Y210-L226 HydrophobicContact CE1-CB 3.72Å; Y210-L226 HydrophobicContact CE1-CD1 4.43Å; L226-R233 HydrophobicContact CD2-CB 3.87Å; L226-R233 HydrophobicContact CD2-CG 4.32Å; L226-R233 PolarHBondContact O-N 3.19Å; L226-A234 HydrophobicContact CB-CB 4.29Å; L226-A234 PolarHBondContact N-O 3.27Å; L226-A234 PolarHBondContact O-N 2.88Å; L226-A252 HydrophobicContact CD2-CB 4.47Å; L226-L254 HydrophobicContact CD2-CD1 3.73Å; L226-I262 HydrophobicContact CD1-CG2 4.41Å; L226-I262 HydrophobicContact CD2-CG2 4.13Å; L226-I262 HydrophobicContact CG-CG2 4.19Å; L226-I264 HydrophobicContact CB-CD1 3.84Å; L226-I264 HydrophobicContact CD1-CD1 4.12Å; L226-I264 HydrophobicContact CG-CD1 4.04Å; L226-F282 HydrophobicContact CD1-CE2 4.35Å |
| 227 | C | 98.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 139.2 | -178.3 | -67 | 0 | 0 | 0 | 0 | 110.7 | Q231 I262 Y263 | C227-Q231 CarbonylContact C-O 3.44Å; C227-Q231 WeakPolarHBondContact CA-O 3.43Å; C227-I262 WeakPolarHBondContact O-CA 3.36Å; C227-Y263 HydrophobicContact CB-CD1 4.28Å; C227-Y263 HydrophobicContact CB-CD2 4Å; C227-Y263 HydrophobicContact CB-CE1 3.87Å; C227-Y263 HydrophobicContact CB-CE2 3.58Å; C227-Y263 HydrophobicContact CB-CG 4.34Å; C227-Y263 VanDerWaalsContact CB-CZ 3.49Å; C227-Y263 PolarHBondContact N-O 2.76Å; C227-Y263 PolarHBondContact O-N 3.33Å; C227-Y263 VanDerWaalsContact O-N 3.15Å |
| 228 | K | 98.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 49.1 Ų | 49.1 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 113.6 | 160.7 | 177.1 | 179.6 | -179.3 | 174.9 | 0 | 107.5 | N230 Q231 R233 H255 L256 D260 E261 I262 | K228-N230 PolarHBondContact O-N 2.87Å; K228-N230 VanDerWaalsContact O-N 3.13Å; K228-Q231 PolarHBondContact N-O 2.91Å; K228-Q231 PolarHBondContact O-N 2.79Å; K228-R233 HydrophobicContact CB-CG 3.5Å; K228-R233 VanDerWaalsContact CB-CG 3.5Å; K228-H255 PolarHBondContact NZ-O 3.17Å; K228-L256 HydrophobicContact CD-CD2 3.92Å; K228-L256 HydrophobicContact CG-CD2 4.4Å; K228-D260 WeakPolarHBondContact CE-OD1 3.48Å; K228-D260 WeakPolarHBondContact CE-OD2 3.43Å; K228-D260 IonicContact NZ-OD2 3.89Å; K228-D260 PolarHBondContact NZ-OD2 3.45Å; K228-E261 CarbonylContact C-O 3.53Å; K228-E261 WeakPolarHBondContact CA-O 3.35Å; K228-I262 HydrophobicContact CB-CD1 3.61Å; K228-I262 HydrophobicContact CD-CD1 4.43Å; K228-I262 HydrophobicContact CG-CD1 3.78Å |
| 229 | N | 98.3 | Very high | 96.1 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -117.1 | -170.2 | -53.4 | -35.2 | 0 | 0 | 0 | 109.3 | D260 E261 Y263 | N229-D260 PolarHBondContact ND2-OD1 3.21Å; N229-E261 PolarHBondContact N-O 3.45Å; N229-E261 PolarHBondContact OD1-N 3.44Å; N229-Y263 WeakPolarHBondContact O-CE1 3.46Å; N229-Y263 PolarHBondContact O-OH 3.38Å |
| 230 | N | 96.4 | Very high | 96.9 | Very high | 156 Ų | 156 | 51.9 Ų | 51.9 | 83% | 0.834 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 14.4 | 179.7 | -60.9 | 81 | 0 | 0 | 0 | 113.8 | K228 | K228-N230 PolarHBondContact O-N 2.87Å; K228-N230 VanDerWaalsContact O-N 3.13Å |
| 231 | Q | 98.4 | Very high | 97.1 | Very high | 124 Ų | 124 | 52.9 Ų | 52.9 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.8 | -178.7 | -64.6 | -173.8 | 19.1 | 0 | 0 | 111.9 | C227 K228 R233 | C227-Q231 CarbonylContact C-O 3.44Å; C227-Q231 WeakPolarHBondContact CA-O 3.43Å; K228-Q231 PolarHBondContact N-O 2.91Å; K228-Q231 PolarHBondContact O-N 2.79Å; Q231-R233 PolarHBondContact O-N 3.19Å |
| 232 | V | 98.6 | Very high | 97 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.9 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | D225 | D225-V232 HydrophobicContact CB-CG1 4.01Å; D225-V232 HydrophobicContact CB-CG2 4.12Å |
| 233 | R | 98.8 | Very high | 96.7 | Very high | 122 Ų | 122 | 61.7 Ų | 61.7 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -29.1 | 179.6 | -51.1 | -48.3 | -56.5 | 163.6 | 0.5 | 112.4 | L226 K228 Q231 L254 | L226-R233 HydrophobicContact CD2-CB 3.87Å; L226-R233 HydrophobicContact CD2-CG 4.32Å; L226-R233 PolarHBondContact O-N 3.19Å; K228-R233 HydrophobicContact CB-CG 3.5Å; K228-R233 VanDerWaalsContact CB-CG 3.5Å; Q231-R233 PolarHBondContact O-N 3.19Å; R233-L254 HydrophobicContact CB-CD1 4.17Å; R233-L254 HydrophobicContact CB-CD2 4.17Å; R233-L254 HydrophobicContact CG-CD1 4.11Å; R233-L254 HydrophobicContact CG-CD2 4.4Å |
| 234 | A | 98.7 | Very high | 96.4 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109 | D225 L226 N250 | D225-A234 CarbonylContact C-O 3.58Å; D225-A234 WeakPolarHBondContact CA-O 3.19Å; L226-A234 HydrophobicContact CB-CB 4.29Å; L226-A234 PolarHBondContact N-O 3.27Å; L226-A234 PolarHBondContact O-N 2.88Å; A234-N250 HydrophobicContact CB-CB 4.2Å |
| 235 | S | 98.6 | Very high | 96.2 | Very high | 58 Ų | 58 | 68 Ų | 68 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.2 | 179.6 | -175 | 0 | 0 | 0 | 0 | 109.6 | D225 N250 | D225-S235 WeakPolarHBondContact OD1-CA 3.46Å; D225-S235 WeakPolarHBondContact OD1-CB 3.48Å; D225-S235 PolarHBondContact OD1-OG 2.99Å; S235-N250 PolarHBondContact O-ND2 2.92Å |
| 236 | A | 98.5 | Very high | 96 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 12% | 0.116 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y210 W223 A224 A248 S249 N250 | Y210-A236 HydrophobicContact CE2-CB 4.21Å; Y210-A236 WeakPolarHBondContact OH-CB 2.8Å; Y210-A236 PolarHBondContact OH-N 2.8Å; W223-A236 WeakPolarHBondContact CA-O 3.43Å; A224-A236 PolarHBondContact N-O 2.86Å; A224-A236 PolarHBondContact O-N 3.01Å; A236-A248 HydrophobicContact CB-CB 3.91Å; A236-S249 WeakPolarHBondContact CB-O 3.21Å; A236-N250 HydrophobicContact CB-CB 4.34Å |
| 237 | I | 97.7 | Very high | 96 | Very high | 77 Ų | 77 | 74.9 Ų | 74.9 | 40% | 0.395 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136 | 175.3 | -171.8 | 179.3 | 0 | 0 | 0 | 109 | M222 W223 Q239 | M222-I237 WeakPolarHBondContact O-CA 3.29Å; W223-I237 HydrophobicContact CD2-CD1 4.47Å; W223-I237 HydrophobicContact CD2-CG1 4.25Å; W223-I237 VanDerWaalsContact CE2-CD1 3.46Å; W223-I237 HydrophobicContact CG-CG1 4.39Å; W223-I237 HydrophobicContact CH2-CD1 4.4Å; W223-I237 HydrophobicContact CZ2-CD1 3.42Å; W223-I237 VanDerWaalsContact CZ2-CD1 3.42Å; W223-I237 HydrophobicContact CZ2-CG1 4.07Å; I237-Q239 HydrophobicContact CD1-CB 4.23Å; I237-Q239 HydrophobicContact CG1-CB 4.31Å |
| 238 | A | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 130.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | M214 S221 M222 D246 A248 | M214-A238 HydrophobicContact CB-CB 3.74Å; M214-A238 HydrophobicContact CG-CB 4.43Å; M214-A238 HydrophobicContact SD-CB 4.01Å; S221-A238 CarbonylContact C-O 3.55Å; S221-A238 VanDerWaalsContact CA-O 3.29Å; S221-A238 WeakPolarHBondContact CA-O 3.44Å; M222-A238 HydrophobicContact CE-CB 4.24Å; M222-A238 PolarHBondContact N-O 3.04Å; M222-A238 PolarHBondContact O-N 3.19Å; A238-D246 HydrophobicContact CB-CB 4.07Å; A238-A248 HydrophobicContact CB-CB 4.17Å |
| 239 | Q | 95.1 | Very high | 95.9 | Very high | 120 Ų | 120 | 74.7 Ų | 74.7 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 122.7 | -177.4 | 174.7 | 164.7 | 32.6 | 0 | 0 | 111.4 | T220 S221 I237 D246 | T220-Q239 VanDerWaalsContact O-CA 3.24Å; T220-Q239 WeakPolarHBondContact O-CA 3.22Å; T220-Q239 WeakPolarHBondContact O-CG 3.29Å; S221-Q239 PolarHBondContact OG-NE2 3.13Å; I237-Q239 HydrophobicContact CD1-CB 4.23Å; I237-Q239 HydrophobicContact CG1-CB 4.31Å; Q239-D246 PolarHBondContact N-OD2 3.08Å; Q239-D246 VanDerWaalsContact N-OD2 3.15Å |
| 240 | D | 93.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 24% | 0.235 | 39% | 0.393 | C | S | . | . | trans | -141.6 | 128.3 | 177.6 | -171.1 | -80.9 | 0 | 0 | 0 | 109.6 | M214 T220 D242 Q243 N244 | M214-D240 HydrophobicContact CE-CB 4.15Å; T220-D240 WeakPolarHBondContact CA-O 3.5Å; T220-D240 PolarHBondContact O-N 2.56Å; D240-D242 WeakPolarHBondContact OD1-CA 3.35Å; D240-D242 PolarHBondContact OD1-N 2.99Å; D240-Q243 PolarHBondContact O-N 2.85Å; D240-Q243 PolarHBondContact OD1-N 3.06Å; D240-Q243 VanDerWaalsContact OD1-N 3.08Å; D240-N244 HydrophobicContact CB-CB 4.43Å; D240-N244 PolarHBondContact OD1-N 3.43Å | ||
| 241 | A | 90.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 70% | 0.702 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -30.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q243 | A241-Q243 PolarHBondContact O-N 3.21Š|
| 242 | D | 91.8 | Very high | 96.1 | Very high | 135 Ų | 135 | 65.3 Ų | 65.3 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5 | 178.1 | -61.8 | -38 | 0 | 0 | 0 | 111.6 | D240 N244 | D240-D242 WeakPolarHBondContact OD1-CA 3.35Å; D240-D242 PolarHBondContact OD1-N 2.99Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 2.85Å |
| 243 | Q | 88.8 | Confident | 96.1 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | trans | 61.5 | 34.6 | -179.9 | -47.4 | 179.5 | -12.8 | 0 | 0 | 112.3 | G216 G217 T220 D240 A241 | G216-Q243 CarbonylContact C-O 3.42Å; G216-Q243 WeakPolarHBondContact CA-O 3.46Å; G217-Q243 VanDerWaalsContact CA-OE1 3.3Å; G217-Q243 PolarHBondContact N-O 3.01Å; G217-Q243 PolarHBondContact O-OE1 2.96Å; T220-Q243 HydrophobicContact CG2-CG 4.45Å; D240-Q243 PolarHBondContact O-N 2.85Å; D240-Q243 PolarHBondContact OD1-N 3.06Å; D240-Q243 VanDerWaalsContact OD1-N 3.08Å; A241-Q243 PolarHBondContact O-N 3.21Å | ||
| 244 | N | 91.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 61.3 Ų | 61.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | trans | -73.1 | 165.9 | 171.2 | -75.8 | 9.5 | 0 | 0 | 0 | 111.6 | M214 D240 D242 | M214-N244 WeakPolarHBondContact CE-O 3.2Å; D240-N244 HydrophobicContact CB-CB 4.43Å; D240-N244 PolarHBondContact OD1-N 3.43Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 2.85Å | ||
| 245 | Y | 93 | Very high | 96.1 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 53% | 0.525 | 35% | 0.35 | S | S | . | . | trans | -68.7 | 132 | 172.6 | -72.9 | -85.6 | 0 | 0 | 0 | 110.7 | L213 M214 H272 | L213-Y245 HydrophobicContact CD1-CD1 3.9Å; L213-Y245 HydrophobicContact CD1-CG 4.4Å; L213-Y245 HydrophobicContact CD2-CD1 3.88Å; L213-Y245 HydrophobicContact CD2-CE1 4.32Å; L213-Y245 HydrophobicContact CG-CD1 3.88Å; M214-Y245 WeakPolarHBondContact O-CD1 3.39Å; Y245-H272 HydrophobicContact CE1-CB 4.36Å; Y245-H272 AromaticContact CE1-CG 3.99Å; Y245-H272 AromaticContact CE1-ND1 3.67Å | ||
| 246 | D | 95.8 | Very high | 96.1 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | trans | -146.9 | 163.6 | 177.4 | -171.1 | 20.1 | 0 | 0 | 0 | 110.4 | M214 A238 Q239 | M214-D246 WeakPolarHBondContact CB-O 3.27Å; M214-D246 HydrophobicContact CE-CB 4.21Å; M214-D246 PolarHBondContact N-O 2.99Å; A238-D246 HydrophobicContact CB-CB 4.07Å; Q239-D246 PolarHBondContact N-OD2 3.08Å; Q239-D246 VanDerWaalsContact N-OD2 3.15Å | ||
| 247 | Y | 97.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.2 | -173.7 | -90.7 | -83.4 | 0 | 0 | 0 | 113.5 | H211 V212 L213 Y279 | H211-Y247 HydrophobicContact CB-CD1 3.95Å; H211-Y247 HydrophobicContact CB-CE1 3.94Å; V212-Y247 WeakPolarHBondContact O-CA 3.28Å; L213-Y247 HydrophobicContact CB-CD1 4.38Å; L213-Y247 HydrophobicContact CB-CE1 3.84Å; L213-Y247 HydrophobicContact CD1-CD2 4.01Å; L213-Y247 HydrophobicContact CD1-CE1 4.47Å; L213-Y247 HydrophobicContact CD1-CE2 3.71Å; Y247-Y279 WeakPolarHBondContact CE1-O 3.28Å; Y247-Y279 PolarHBondContact OH-O 3.43Å |
| 248 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 104.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108 | Y210 V212 M222 A224 A236 A238 | Y210-A248 WeakPolarHBondContact CE2-O 3.49Å; V212-A248 PolarHBondContact N-O 2.94Å; V212-A248 PolarHBondContact O-N 3.33Å; M222-A248 HydrophobicContact CE-CB 3.67Å; A224-A248 HydrophobicContact CB-CB 3.88Å; A236-A248 HydrophobicContact CB-CB 3.91Å; A238-A248 HydrophobicContact CB-CB 4.17Å |
| 249 | S | 98.8 | Very high | 96.2 | Very high | 43 Ų | 43 | 67.6 Ų | 67.6 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139 | -176.9 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | Y210 H211 A236 | Y210-S249 VanDerWaalsContact O-CA 3.29Å; Y210-S249 WeakPolarHBondContact O-CA 3.34Å; Y210-S249 WeakPolarHBondContact O-CB 3.35Å; H211-S249 WeakPolarHBondContact CA-OG 3.16Å; H211-S249 VanDerWaalsContact ND1-CB 3.29Å; H211-S249 WeakPolarHBondContact ND1-CB 3.23Å; H211-S249 PolarHBondContact ND1-OG 3.07Å; A236-S249 WeakPolarHBondContact CB-O 3.21Å |
| 250 | N | 98.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 62.9 Ų | 62.9 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 174.8 | 170.6 | -146.2 | -32.6 | 0 | 0 | 0 | 110.7 | T209 Y210 A234 S235 A236 | T209-N250 WeakPolarHBondContact CA-O 3.34Å; T209-N250 PolarHBondContact OG1-O 2.83Å; Y210-N250 HydrophobicContact CE1-CB 3.62Å; Y210-N250 HydrophobicContact CE2-CB 4.42Å; Y210-N250 PolarHBondContact N-O 3.22Å; Y210-N250 VanDerWaalsContact N-O 3.1Å; Y210-N250 PolarHBondContact O-N 3.15Å; Y210-N250 VanDerWaalsContact OH-CB 3.22Å; Y210-N250 WeakPolarHBondContact OH-CB 3.46Å; A234-N250 HydrophobicContact CB-CB 4.2Å; S235-N250 PolarHBondContact O-ND2 2.92Å; A236-N250 HydrophobicContact CB-CB 4.34Å |
| 251 | S | 98.9 | Very high | 96.7 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.9 | 175.5 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | F208 | F208-S251 CarbonylContact O-C 3.36Å; F208-S251 WeakPolarHBondContact O-CA 2.93Å; F208-S251 WeakPolarHBondContact O-CB 3.33Å |
| 252 | A | 98.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F208 L226 L254 | F208-A252 PolarHBondContact N-O 2.9Å; F208-A252 PolarHBondContact O-N 2.84Å; L226-A252 HydrophobicContact CD2-CB 4.47Å; A252-L254 HydrophobicContact CB-CD1 4.29Å; A252-L254 HydrophobicContact CB-CD2 4.24Å; A252-L254 HydrophobicContact CB-CG 4.01Å |
| 253 | V | 98.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121 | 165 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | I205 Y206 F207 I287 | I205-V253 HydrophobicContact CG2-CG1 3.36Å; Y206-V253 CarbonylContact O-C 3.47Å; Y206-V253 VanDerWaalsContact O-CA 3.29Å; Y206-V253 WeakPolarHBondContact O-CA 3.47Å; F207-V253 HydrophobicContact CD2-CG2 4.03Å; V253-I287 HydrophobicContact CG1-CD1 3.99Å; V253-I287 HydrophobicContact CG2-CD1 4.3Å |
| 254 | L | 98.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.4 | -171.6 | -60.6 | 176.1 | 0 | 0 | 0 | 110.7 | Y206 F208 L226 R233 A252 L256 I262 | Y206-L254 PolarHBondContact N-O 2.86Å; Y206-L254 PolarHBondContact O-N 3.17Å; F208-L254 HydrophobicContact CD2-CD1 4.36Å; L226-L254 HydrophobicContact CD2-CD1 3.73Å; R233-L254 HydrophobicContact CB-CD1 4.17Å; R233-L254 HydrophobicContact CB-CD2 4.17Å; R233-L254 HydrophobicContact CG-CD1 4.11Å; R233-L254 HydrophobicContact CG-CD2 4.4Å; A252-L254 HydrophobicContact CB-CD1 4.29Å; A252-L254 HydrophobicContact CB-CD2 4.24Å; A252-L254 HydrophobicContact CB-CG 4.01Å; L254-L256 HydrophobicContact CB-CD2 4.08Å; L254-I262 HydrophobicContact CD1-CD1 3.99Å |
| 255 | H | 98.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 49 Ų | 49 | 35% | 0.352 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131 | 161.9 | -179.2 | -90.2 | 0 | 0 | 0 | 109.6 | G204 I205 K228 E257 D290 | G204-H255 WeakPolarHBondContact O-CA 3.38Å; I205-H255 HydrophobicContact CD1-CB 3.71Å; K228-H255 PolarHBondContact NZ-O 3.17Å; H255-E257 IonicContact CE1-OE1 3.6Å; H255-E257 PolarHBondContact CE1-OE1 3.27Å; H255-D290 IonicContact CD2-OD1 2.67Å; H255-D290 IonicContact CD2-OD2 2.73Å; H255-D290 IonicContact CE1-OD2 3.86Å; H255-D290 IonicContact NE2-OD1 3.37Å; H255-D290 IonicContact NE2-OD2 2.93Å; H255-D290 PolarHBondContact NE2-OD2 3.13Å |
| 256 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146.2 | -179 | -55.2 | -175.2 | 0 | 0 | 0 | 110.9 | F198 C200 P203 G204 Y206 F208 K228 L254 D260 I262 | F198-L256 HydrophobicContact CD1-CD1 4.42Å; F198-L256 HydrophobicContact CE1-CD1 3.92Å; C200-L256 HydrophobicContact CB-CB 3.95Å; C200-L256 HydrophobicContact CB-CD1 4.06Å; C200-L256 VanDerWaalsContact SG-CB 3.6Å; P203-L256 VanDerWaalsContact CA-O 3.29Å; P203-L256 WeakPolarHBondContact CA-O 3.32Å; G204-L256 PolarHBondContact N-O 3.13Å; G204-L256 VanDerWaalsContact N-O 3.16Å; G204-L256 PolarHBondContact O-N 3.07Å; Y206-L256 HydrophobicContact CD1-CD1 4.36Å; Y206-L256 HydrophobicContact CD2-CB 3.86Å; Y206-L256 HydrophobicContact CD2-CD1 3.59Å; Y206-L256 HydrophobicContact CD2-CG 3.68Å; Y206-L256 HydrophobicContact CE2-CB 3.94Å; Y206-L256 HydrophobicContact CE2-CD1 4.06Å; Y206-L256 HydrophobicContact CE2-CG 4.23Å; Y206-L256 HydrophobicContact CG-CD1 3.76Å; Y206-L256 HydrophobicContact CG-CG 4.24Å; F208-L256 HydrophobicContact CE2-CD1 3.88Å; F208-L256 HydrophobicContact CZ-CD1 3.77Å; K228-L256 HydrophobicContact CD-CD2 3.92Å; K228-L256 HydrophobicContact CG-CD2 4.4Å; L254-L256 HydrophobicContact CB-CD2 4.08Å; L256-D260 HydrophobicContact CB-CB 4.37Å; L256-D260 HydrophobicContact CD2-CB 4.34Å; L256-I262 HydrophobicContact CD1-CD1 4.34Å; L256-I262 HydrophobicContact CD1-CG1 3.78Å; L256-I262 HydrophobicContact CD2-CD1 3.55Å; L256-I262 HydrophobicContact CD2-CG1 3.94Å |
| 257 | E | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | trans | -105.4 | 155.6 | 170.2 | -69.4 | -67.7 | 171.6 | 0 | 0 | 110.3 | C200 H255 G259 D260 | C200-E257 VanDerWaalsContact CB-O 3.27Å; C200-E257 WeakPolarHBondContact CB-O 3.35Å; C200-E257 PolarHBondContact SG-O 2.9Å; C200-E257 VanDerWaalsContact SG-O 3.34Å; H255-E257 IonicContact CE1-OE1 3.6Å; H255-E257 PolarHBondContact CE1-OE1 3.27Å; E257-G259 PolarHBondContact O-N 2.88Å; E257-D260 PolarHBondContact N-OD2 3.05Å; E257-D260 VanDerWaalsContact O-CB 3.3Å; E257-D260 WeakPolarHBondContact O-CB 3.48Å; E257-D260 PolarHBondContact O-N 3.01Å | ||
| 258 | P | 98.4 | Very high | 98.1 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 128.3 | 173.5 | -26.5 | 35.8 | 0 | 0 | 0 | 112 | ||
| 259 | G | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 52% | 0.515 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -13.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | C200 E257 E261 | C200-G259 PolarHBondContact O-N 3.37Å; E257-G259 PolarHBondContact O-N 2.88Å; G259-E261 PolarHBondContact O-N 2.91Å |
| 260 | D | 98.9 | Very high | 97.5 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | trans | -62 | 133.2 | 172.9 | -79.6 | -32.8 | 0 | 0 | 0 | 110.9 | C200 K228 N229 L256 E257 | C200-D260 HydrophobicContact CB-CB 4.2Å; C200-D260 PolarHBondContact N-O 2.89Å; K228-D260 WeakPolarHBondContact CE-OD1 3.48Å; K228-D260 WeakPolarHBondContact CE-OD2 3.43Å; K228-D260 IonicContact NZ-OD2 3.89Å; K228-D260 PolarHBondContact NZ-OD2 3.45Å; N229-D260 PolarHBondContact ND2-OD1 3.21Å; L256-D260 HydrophobicContact CB-CB 4.37Å; L256-D260 HydrophobicContact CD2-CB 4.34Å; E257-D260 PolarHBondContact N-OD2 3.05Å; E257-D260 VanDerWaalsContact O-CB 3.3Å; E257-D260 WeakPolarHBondContact O-CB 3.48Å; E257-D260 PolarHBondContact O-N 3.01Å | ||
| 261 | E | 98.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.7 | 176.3 | -63.7 | -175.9 | 134.8 | 0 | 0 | 110.8 | K197 F198 K228 N229 G259 Y263 | K197-E261 HydrophobicContact CD-CB 4.29Å; K197-E261 VanDerWaalsContact CD-CD 3.48Å; K197-E261 HydrophobicContact CD-CG 4.26Å; K197-E261 VanDerWaalsContact CD-OE1 3.25Å; K197-E261 WeakPolarHBondContact CD-OE1 3.41Å; K197-E261 IonicContact NZ-OE1 3.71Å; K197-E261 PolarHBondContact NZ-OE1 2.94Å; K197-E261 IonicContact NZ-OE2 3.41Å; K197-E261 PolarHBondContact NZ-OE2 3.32Å; F198-E261 CarbonylContact O-C 3.15Å; F198-E261 WeakPolarHBondContact O-CA 3.29Å; K228-E261 CarbonylContact C-O 3.53Å; K228-E261 WeakPolarHBondContact CA-O 3.35Å; N229-E261 PolarHBondContact N-O 3.45Å; N229-E261 PolarHBondContact OD1-N 3.44Å; G259-E261 PolarHBondContact O-N 2.91Å; E261-Y263 HydrophobicContact CB-CD1 4.34Å |
| 262 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129 | 172.4 | -52.7 | -68.2 | 0 | 0 | 0 | 109.7 | F198 F208 L226 C227 K228 L254 L256 F282 | F198-I262 HydrophobicContact CB-CB 4.3Å; F198-I262 HydrophobicContact CD1-CB 4.28Å; F198-I262 HydrophobicContact CD1-CG1 4.27Å; F198-I262 PolarHBondContact N-O 2.88Å; F198-I262 PolarHBondContact O-N 2.9Å; F208-I262 HydrophobicContact CD1-CG2 3.9Å; F208-I262 HydrophobicContact CD2-CG2 4.14Å; F208-I262 HydrophobicContact CE1-CB 4.05Å; F208-I262 HydrophobicContact CE1-CG1 4.28Å; F208-I262 HydrophobicContact CE1-CG2 3.9Å; F208-I262 HydrophobicContact CE2-CB 4.42Å; F208-I262 HydrophobicContact CE2-CD1 4.46Å; F208-I262 HydrophobicContact CE2-CG1 3.9Å; F208-I262 HydrophobicContact CE2-CG2 4.15Å; F208-I262 HydrophobicContact CG-CG2 4.02Å; F208-I262 HydrophobicContact CZ-CB 4Å; F208-I262 HydrophobicContact CZ-CG1 3.71Å; F208-I262 HydrophobicContact CZ-CG2 4.05Å; L226-I262 HydrophobicContact CD1-CG2 4.41Å; L226-I262 HydrophobicContact CD2-CG2 4.13Å; L226-I262 HydrophobicContact CG-CG2 4.19Å; C227-I262 WeakPolarHBondContact O-CA 3.36Å; K228-I262 HydrophobicContact CB-CD1 3.61Å; K228-I262 HydrophobicContact CD-CD1 4.43Å; K228-I262 HydrophobicContact CG-CD1 3.78Å; L254-I262 HydrophobicContact CD1-CD1 3.99Å; L256-I262 HydrophobicContact CD1-CD1 4.34Å; L256-I262 HydrophobicContact CD1-CG1 3.78Å; L256-I262 HydrophobicContact CD2-CD1 3.55Å; L256-I262 HydrophobicContact CD2-CG1 3.94Å; I262-F282 HydrophobicContact CG2-CZ 4.05Å |
| 263 | Y | 98.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 9% | 0.09 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 163.3 | -178.3 | 58.9 | -86.9 | 0 | 0 | 0 | 111.7 | V177 K197 C227 N229 E261 K265 | V177-Y263 HydrophobicContact CB-CD2 4.37Å; V177-Y263 HydrophobicContact CG1-CD2 3.88Å; V177-Y263 HydrophobicContact CG1-CG 4.26Å; V177-Y263 HydrophobicContact CG2-CD2 3.69Å; V177-Y263 HydrophobicContact CG2-CE2 3.76Å; K197-Y263 HydrophobicContact CD-CD1 4.26Å; K197-Y263 HydrophobicContact CG-CD1 4.21Å; K197-Y263 HydrophobicContact CG-CG 4.24Å; C227-Y263 HydrophobicContact CB-CD1 4.28Å; C227-Y263 HydrophobicContact CB-CD2 4Å; C227-Y263 HydrophobicContact CB-CE1 3.87Å; C227-Y263 HydrophobicContact CB-CE2 3.58Å; C227-Y263 HydrophobicContact CB-CG 4.34Å; C227-Y263 VanDerWaalsContact CB-CZ 3.49Å; C227-Y263 PolarHBondContact N-O 2.76Å; C227-Y263 PolarHBondContact O-N 3.33Å; C227-Y263 VanDerWaalsContact O-N 3.15Å; N229-Y263 WeakPolarHBondContact O-CE1 3.46Å; N229-Y263 PolarHBondContact O-OH 3.38Å; E261-Y263 HydrophobicContact CB-CD1 4.34Å; Y263-K265 HydrophobicContact CD2-CB 4.31Å; Y263-K265 HydrophobicContact CE2-CB 4.08Å |
| 264 | I | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.1 | 172.3 | -48.6 | -54.6 | 0 | 0 | 0 | 108.9 | L178 F180 Y210 V212 A224 D225 L226 F282 | L178-I264 HydrophobicContact CB-CB 4.45Å; L178-I264 HydrophobicContact CD1-CB 4.45Å; L178-I264 HydrophobicContact CD1-CG2 3.9Å; L178-I264 PolarHBondContact N-O 2.92Å; F180-I264 HydrophobicContact CE2-CB 3.94Å; F180-I264 HydrophobicContact CE2-CG1 3.87Å; F180-I264 HydrophobicContact CZ-CB 4.28Å; F180-I264 HydrophobicContact CZ-CG1 4.15Å; Y210-I264 HydrophobicContact CD1-CD1 3.44Å; Y210-I264 VanDerWaalsContact CD1-CD1 3.44Å; Y210-I264 HydrophobicContact CD1-CG1 4.44Å; Y210-I264 HydrophobicContact CD2-CD1 4.47Å; Y210-I264 HydrophobicContact CE1-CD1 4.1Å; Y210-I264 HydrophobicContact CG-CD1 3.64Å; Y210-I264 HydrophobicContact CG-CG1 4.16Å; V212-I264 HydrophobicContact CG2-CG2 4.29Å; A224-I264 HydrophobicContact CB-CG2 4.07Å; D225-I264 CarbonylContact O-C 3.59Å; D225-I264 VanDerWaalsContact O-CA 3.26Å; D225-I264 WeakPolarHBondContact O-CA 3.4Å; L226-I264 HydrophobicContact CB-CD1 3.84Å; L226-I264 HydrophobicContact CD1-CD1 4.12Å; L226-I264 HydrophobicContact CG-CD1 4.04Å; I264-F282 HydrophobicContact CD1-CD2 3.92Å; I264-F282 HydrophobicContact CD1-CE2 3.78Å; I264-F282 HydrophobicContact CD1-CG 4.44Å; I264-F282 HydrophobicContact CD1-CZ 4.17Å; I264-F282 HydrophobicContact CG1-CB 4.42Å; I264-F282 HydrophobicContact CG1-CD1 4.11Å; I264-F282 HydrophobicContact CG1-CD2 3.86Å; I264-F282 HydrophobicContact CG1-CE1 4.33Å; I264-F282 HydrophobicContact CG1-CE2 4.1Å; I264-F282 HydrophobicContact CG1-CG 3.88Å; I264-F282 HydrophobicContact CG1-CZ 4.33Å |
| 265 | K | 98.3 | Very high | 93 | Very high | 56 Ų | 56 | 35 Ų | 35 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135 | 176.4 | -168 | -152.5 | 163.6 | -148.4 | 0 | 108.7 | Y175 E176 D225 Y263 D267 | Y175-K265 WeakPolarHBondContact O-CE 3.09Å; E176-K265 WeakPolarHBondContact O-CA 3.22Å; D225-K265 PolarHBondContact N-O 3.05Å; D225-K265 PolarHBondContact O-N 3.35Å; Y263-K265 HydrophobicContact CD2-CB 4.31Å; Y263-K265 HydrophobicContact CE2-CB 4.08Å; K265-D267 IonicContact NZ-OD1 2.85Å; K265-D267 PolarHBondContact NZ-OD1 3.16Å |
| 266 | L | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 140.8 | 163.2 | -75.1 | 175.7 | 0 | 0 | 0 | 109.6 | H172 G174 Y175 E176 L178 M222 W223 A271 | H172-L266 HydrophobicContact CB-CD1 3.98Å; G174-L266 VanDerWaalsContact O-CB 3.28Å; G174-L266 WeakPolarHBondContact O-CB 3.28Å; Y175-L266 CarbonylContact C-O 3.22Å; Y175-L266 VanDerWaalsContact CA-O 3.27Å; Y175-L266 WeakPolarHBondContact CA-O 3.42Å; E176-L266 PolarHBondContact O-N 3.31Å; L178-L266 HydrophobicContact CD1-CD2 4.22Å; L178-L266 HydrophobicContact CD1-CG 4.18Å; L178-L266 HydrophobicContact CD2-CD1 3.65Å; L178-L266 HydrophobicContact CD2-CD2 4.38Å; L178-L266 HydrophobicContact CD2-CG 3.65Å; L178-L266 HydrophobicContact CG-CD1 4.47Å; L178-L266 HydrophobicContact CG-CG 3.94Å; M222-L266 HydrophobicContact CG-CD2 3.75Å; M222-L266 HydrophobicContact SD-CD2 3.87Å; W223-L266 WeakPolarHBondContact O-CA 3.39Å; W223-L266 WeakPolarHBondContact O-CD2 3.4Å; L266-A271 HydrophobicContact CD1-CB 4.18Å; L266-A271 HydrophobicContact CD2-CB 4.33Å |
| 267 | D | 94.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 41.4 Ų | 41.4 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | trans | -121.1 | 49 | 170.7 | -150.1 | 54.8 | 0 | 0 | 0 | 110.8 | Y175 W223 K265 | Y175-D267 WeakPolarHBondContact CD1-OD1 3.45Å; W223-D267 HydrophobicContact CB-CB 3.96Å; W223-D267 PolarHBondContact O-N 3.34Å; K265-D267 IonicContact NZ-OD1 2.85Å; K265-D267 PolarHBondContact NZ-OD1 3.16Å | ||
| 268 | G | 92.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 106.4 | 157.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G174 M222 W223 | G174-G268 VanDerWaalsContact O-CA 3.28Å; G174-G268 WeakPolarHBondContact O-CA 3.24Å; G174-G268 PolarHBondContact O-N 3.29Å; M222-G268 WeakPolarHBondContact CA-O 3.29Å; W223-G268 PolarHBondContact N-O 3.4Å |
| 269 | G | 92.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 86.8 | -165.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E173 G174 S221 | E173-G269 WeakPolarHBondContact CA-O 3.46Å; G174-G269 PolarHBondContact N-O 2.85Å; S221-G269 WeakPolarHBondContact O-CA 3.36Å |
| 270 | K | 92.5 | Very high | 91.2 | Very high | 55 Ų | 55 | 37.9 Ų | 37.9 | 24% | 0.239 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.8 | -175.4 | -58.8 | -172.1 | -176.8 | -174 | 0 | 110.7 | H172 E173 R215 D218 M222 | H172-K270 WeakPolarHBondContact O-CA 3.33Å; E173-K270 HydrophobicContact CB-CB 4.4Å; E173-K270 HydrophobicContact CB-CG 3.84Å; E173-K270 WeakPolarHBondContact OE2-CE 3.49Å; E173-K270 IonicContact OE2-NZ 3.67Å; R215-K270 HydrophobicContact CB-CB 4.06Å; R215-K270 PolarHBondContact N-O 2.86Å; D218-K270 HydrophobicContact CB-CD 3.87Å; D218-K270 IonicContact OD2-NZ 3.71Å; M222-K270 VanDerWaalsContact SD-O 3.34Å |
| 271 | A | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L168 H172 L178 V212 M222 L266 G273 | L168-A271 HydrophobicContact CD2-CB 4.03Å; H172-A271 HydrophobicContact CB-CB 4.37Å; H172-A271 PolarHBondContact O-N 2.94Å; L178-A271 HydrophobicContact CD2-CB 4.01Å; V212-A271 HydrophobicContact CG1-CB 3.72Å; M222-A271 HydrophobicContact SD-CB 4.14Å; L266-A271 HydrophobicContact CD1-CB 4.18Å; L266-A271 HydrophobicContact CD2-CB 4.33Å; A271-G273 PolarHBondContact O-N 3.24Å; A271-G273 VanDerWaalsContact O-N 3.15Å |
| 272 | H | 90.3 | Very high | 91.2 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | trans | -75 | 104.1 | 171.2 | -168.9 | 85 | 0 | 0 | 0 | 109.6 | L213 R215 Y245 S280 | L213-H272 HydrophobicContact CB-CB 4.2Å; L213-H272 HydrophobicContact CD2-CB 3.99Å; L213-H272 HydrophobicContact CG-CB 3.94Å; L213-H272 WeakPolarHBondContact O-CB 3.39Å; L213-H272 PolarHBondContact O-N 3.44Å; R215-H272 HydrophobicContact CB-CB 4.19Å; Y245-H272 HydrophobicContact CE1-CB 4.36Å; Y245-H272 AromaticContact CE1-CG 3.99Å; Y245-H272 AromaticContact CE1-ND1 3.67Å; H272-S280 PolarHBondContact O-OG 3.46Å | ||
| 273 | G | 77.2 | Confident | 91.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | -98 | 116.8 | 156 | 0 | 0 | 0 | 0 | 0 | 107.9 | K169 K170 Q171 A271 | K169-G273 CarbonylContact O-C 3.56Å; K169-G273 VanDerWaalsContact O-C 3.22Å; K170-G273 WeakPolarHBondContact O-CA 3.43Å; Q171-G273 WeakPolarHBondContact CG-O 3.44Å; A271-G273 PolarHBondContact O-N 3.24Å; A271-G273 VanDerWaalsContact O-N 3.15Å | ||
| 274 | G | 66.5 | Low | 91.2 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | trans | -158.8 | 113.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 275 | N | 72.5 | Confident | 91.2 | Very high | 85 Ų | 85 | 39.3 Ų | 39.3 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 60.5 | -171.4 | 175.9 | 76.4 | 38.6 | 0 | 0 | 0 | 115.5 | N277 | N275-N277 VanDerWaalsContact C-N 3.3Å; N275-N277 PolarHBondContact ND2-ND2 2.96Å; N275-N277 PolarHBondContact O-N 3.44Å; N275-N277 WeakPolarHBondContact OD1-CA 3.4Å; N275-N277 WeakPolarHBondContact OD1-CB 3.42Å; N275-N277 PolarHBondContact OD1-N 2.94Å; N275-N277 PolarHBondContact OD1-ND2 3.41Å; N275-N277 VanDerWaalsContact OD1-ND2 3.15Å; N275-N277 PolarHBondContact OD1-OD1 3.35Å |
| 276 | N | 81.6 | Confident | 91.2 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -88.7 | 8.7 | -173.3 | -60.4 | -10.1 | 0 | 0 | 0 | 113.2 | K278 | N276-K278 VanDerWaalsContact C-N 3.3Å; N276-K278 PolarHBondContact O-N 3.01Å; N276-K278 PolarHBondContact O-NZ 2.96Å |
| 277 | N | 88.4 | Confident | 91.2 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -80.9 | -3.7 | -171.8 | -61.4 | -8.8 | 0 | 0 | 0 | 114 | N275 Y279 | N275-N277 VanDerWaalsContact C-N 3.3Å; N275-N277 PolarHBondContact ND2-ND2 2.96Å; N275-N277 PolarHBondContact O-N 3.44Å; N275-N277 WeakPolarHBondContact OD1-CA 3.4Å; N275-N277 WeakPolarHBondContact OD1-CB 3.42Å; N275-N277 PolarHBondContact OD1-N 2.94Å; N275-N277 PolarHBondContact OD1-ND2 3.41Å; N275-N277 VanDerWaalsContact OD1-ND2 3.15Å; N275-N277 PolarHBondContact OD1-OD1 3.35Å; N277-Y279 HydrophobicContact CB-CD2 4.05Å; N277-Y279 HydrophobicContact CB-CE2 3.55Å; N277-Y279 PolarHBondContact ND2-OH 3.07Å; N277-Y279 VanDerWaalsContact ND2-OH 3.14Å; N277-Y279 PolarHBondContact O-N 3.43Å |
| 278 | K | 92.9 | Very high | 91.3 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | trans | 58 | 44.6 | 174.4 | -51.5 | -71.8 | -170.5 | -62.7 | 0 | 113.6 | D182 V184 N276 T281 | D182-K278 HydrophobicContact CB-CD 4.22Å; D182-K278 WeakPolarHBondContact O-CE 3.41Å; D182-K278 IonicContact OD1-NZ 3.33Å; D182-K278 PolarHBondContact OD1-NZ 3.3Å; D182-K278 WeakPolarHBondContact OD2-CE 3.32Å; D182-K278 IonicContact OD2-NZ 2.59Å; D182-K278 PolarHBondContact OD2-NZ 3.49Å; V184-K278 HydrophobicContact CG2-CD 4.42Å; N276-K278 VanDerWaalsContact C-N 3.3Å; N276-K278 PolarHBondContact O-N 3.01Å; N276-K278 PolarHBondContact O-NZ 2.96Å; K278-T281 HydrophobicContact CB-CG2 4.04Å; K278-T281 WeakPolarHBondContact O-CG2 3.36Å | ||
| 279 | Y | 94.9 | Very high | 91.5 | Very high | 96 Ų | 96 | 48.2 Ų | 48.2 | 38% | 0.376 | 25% | 0.245 | S | C | . | . | trans | -62.7 | -49.5 | 175.2 | -66.5 | -71.4 | 0 | 0 | 0 | 111.7 | L213 Y247 N277 | L213-Y279 HydrophobicContact CD2-CD1 4.23Å; L213-Y279 HydrophobicContact CD2-CG 3.94Å; Y247-Y279 WeakPolarHBondContact CE1-O 3.28Å; Y247-Y279 PolarHBondContact OH-O 3.43Å; N277-Y279 HydrophobicContact CB-CD2 4.05Å; N277-Y279 HydrophobicContact CB-CE2 3.55Å; N277-Y279 PolarHBondContact ND2-OH 3.07Å; N277-Y279 VanDerWaalsContact ND2-OH 3.14Å; N277-Y279 PolarHBondContact O-N 3.43Å | ||
| 280 | S | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -94.4 | 127 | 174.7 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | G167 L168 H211 L213 H272 | G167-S280 CarbonylContact C-O 3.54Å; G167-S280 WeakPolarHBondContact CA-O 3.43Å; L168-S280 PolarHBondContact N-O 2.82Å; H211-S280 CarbonylContact O-C 3.52Å; H211-S280 WeakPolarHBondContact O-CA 3.23Å; L213-S280 PolarHBondContact N-OG 3.5Å; H272-S280 PolarHBondContact O-OG 3.46Å |
| 281 | T | 98.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.08 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.8 | -172.4 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | Y165 A166 F180 Y210 H211 K278 | Y165-T281 HydrophobicContact CE2-CG2 3.6Å; Y165-T281 WeakPolarHBondContact OH-CG2 3.48Å; A166-T281 WeakPolarHBondContact O-CA 3.15Å; F180-T281 VanDerWaalsContact CE1-C 3.42Å; Y210-T281 VanDerWaalsContact CA-O 3.31Å; Y210-T281 WeakPolarHBondContact CA-O 2.97Å; H211-T281 PolarHBondContact N-O 2.8Å; H211-T281 PolarHBondContact O-N 2.95Å; K278-T281 HydrophobicContact CB-CG2 4.04Å; K278-T281 WeakPolarHBondContact O-CG2 3.36Å |
| 282 | F | 98.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 134.7 | 171.3 | -179 | -144.5 | 0 | 0 | 0 | 109.8 | F164 Y165 A166 F180 Y191 F208 T209 L226 I262 I264 | F164-F282 AromaticContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD1 3.61Å; F164-F282 HydrophobicContact CE2-CD2 4.47Å; F164-F282 AromaticContact CE2-CE1 3.77Å; F164-F282 HydrophobicContact CE2-CE1 3.77Å; F164-F282 AromaticContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CG 3.97Å; F164-F282 HydrophobicContact CE2-CZ 4.27Å; F164-F282 AromaticContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD1 3.88Å; F164-F282 HydrophobicContact CZ-CD2 4.34Å; F164-F282 AromaticContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE1 3.57Å; F164-F282 HydrophobicContact CZ-CE2 4.06Å; F164-F282 HydrophobicContact CZ-CG 4.23Å; F164-F282 AromaticContact CZ-CZ 3.66Å; F164-F282 HydrophobicContact CZ-CZ 3.66Å; Y165-F282 WeakPolarHBondContact CA-O 2.98Å; A166-F282 PolarHBondContact N-O 2.95Å; A166-F282 PolarHBondContact O-N 2.9Å; F180-F282 HydrophobicContact CD1-CB 3.96Å; F180-F282 HydrophobicContact CD2-CB 3.61Å; F180-F282 HydrophobicContact CD2-CD1 4.06Å; F180-F282 HydrophobicContact CD2-CG 4.27Å; F180-F282 HydrophobicContact CE1-CB 3.88Å; F180-F282 HydrophobicContact CE2-CB 3.52Å; F180-F282 HydrophobicContact CE2-CD1 4.12Å; F180-F282 HydrophobicContact CE2-CG 4.1Å; F180-F282 HydrophobicContact CG-CB 3.84Å; F180-F282 HydrophobicContact CZ-CB 3.67Å; Y191-F282 AromaticContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CD1 3.97Å; Y191-F282 HydrophobicContact CE2-CE1 4.19Å; F208-F282 HydrophobicContact CB-CE2 4.21Å; F208-F282 HydrophobicContact CD1-CE2 4.08Å; F208-F282 HydrophobicContact CD1-CZ 4.01Å; T209-F282 WeakPolarHBondContact O-CD2 3.23Å; L226-F282 HydrophobicContact CD1-CE2 4.35Å; I262-F282 HydrophobicContact CG2-CZ 4.05Å; I264-F282 HydrophobicContact CD1-CD2 3.92Å; I264-F282 HydrophobicContact CD1-CE2 3.78Å; I264-F282 HydrophobicContact CD1-CG 4.44Å; I264-F282 HydrophobicContact CD1-CZ 4.17Å; I264-F282 HydrophobicContact CG1-CB 4.42Å; I264-F282 HydrophobicContact CG1-CD1 4.11Å; I264-F282 HydrophobicContact CG1-CD2 3.86Å; I264-F282 HydrophobicContact CG1-CE1 4.33Å; I264-F282 HydrophobicContact CG1-CE2 4.1Å; I264-F282 HydrophobicContact CG1-CG 3.88Å; I264-F282 HydrophobicContact CG1-CZ 4.33Å |
| 283 | S | 98.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159.9 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | F164 F208 T209 | F164-S283 VanDerWaalsContact O-CA 3.23Å; F164-S283 WeakPolarHBondContact O-CA 3.45Å; F164-S283 VanDerWaalsContact O-CB 3.23Å; F164-S283 WeakPolarHBondContact O-CB 3.44Å; F208-S283 WeakPolarHBondContact CA-O 3.28Å; T209-S283 VanDerWaalsContact CG2-OG 3.24Å; T209-S283 WeakPolarHBondContact CG2-OG 3.2Å; T209-S283 PolarHBondContact N-O 3.44Å; T209-S283 PolarHBondContact O-N 3.01Å |
| 284 | G | 98.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | 163.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A163 F164 F207 | A163-G284 CarbonylContact C-O 3.5Å; A163-G284 VanDerWaalsContact CA-O 3.32Å; A163-G284 WeakPolarHBondContact CA-O 3.38Å; F164-G284 WeakPolarHBondContact CD1-O 3.48Å; F164-G284 VanDerWaalsContact CE1-N 3.31Å; F164-G284 PolarHBondContact N-O 3.37Å; F164-G284 PolarHBondContact O-N 2.95Å; F164-G284 VanDerWaalsContact O-N 3.11Å; F207-G284 CarbonylContact O-C 3.59Å; F207-G284 WeakPolarHBondContact O-CA 3.46Å |
| 285 | F | 98.8 | Very high | 93.9 | Very high | 93 Ų | 93 | 63.8 Ų | 63.8 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 158.2 | 179.3 | 56.3 | -91.9 | 0 | 0 | 0 | 111 | I162 A163 Y206 F207 I287 | I162-F285 VanDerWaalsContact O-CA 3.22Å; I162-F285 WeakPolarHBondContact O-CA 3.39Å; I162-F285 WeakPolarHBondContact O-CB 3.22Å; A163-F285 HydrophobicContact CB-CB 3.8Å; Y206-F285 WeakPolarHBondContact CA-O 3.18Å; F207-F285 HydrophobicContact CB-CE1 4.2Å; F207-F285 HydrophobicContact CB-CE2 4.1Å; F207-F285 HydrophobicContact CB-CZ 3.92Å; F207-F285 HydrophobicContact CD1-CD1 4.1Å; F207-F285 AromaticContact CD1-CE1 3.38Å; F207-F285 HydrophobicContact CD1-CE1 3.38Å; F207-F285 AromaticContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CD1-CZ 3.72Å; F207-F285 HydrophobicContact CE1-CE1 4.11Å; F207-F285 HydrophobicContact CG-CE1 4.14Å; F207-F285 HydrophobicContact CG-CZ 4.06Å; F207-F285 PolarHBondContact N-O 3.13Å; F207-F285 PolarHBondContact O-N 3.06Å; F285-I287 HydrophobicContact CE2-CG1 4.26Å |
| 286 | I | 98.3 | Very high | 95.3 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 135.2 | 173.2 | -166.3 | 169.4 | 0 | 0 | 0 | 110.5 | I162 I202 Y206 V289 | I162-I286 HydrophobicContact CB-CB 4.21Å; I162-I286 HydrophobicContact CB-CG2 3.92Å; I162-I286 PolarHBondContact O-N 3.38Å; I202-I286 HydrophobicContact CG2-CD1 4.47Å; Y206-I286 HydrophobicContact CD1-CB 3.86Å; Y206-I286 HydrophobicContact CD1-CG1 4.2Å; Y206-I286 HydrophobicContact CE1-CB 3.6Å; Y206-I286 HydrophobicContact CE1-CD1 4.07Å; Y206-I286 HydrophobicContact CE1-CG1 3.84Å; Y206-I286 HydrophobicContact CE2-CD1 4.3Å; Y206-I286 HydrophobicContact CE2-CG1 4.27Å; I286-V289 HydrophobicContact CD1-CG2 3.5Å; I286-V289 HydrophobicContact CG1-CG2 4.5Å |
| 287 | I | 97.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -54.5 | 174.9 | -46.3 | -178.6 | 0 | 0 | 0 | 109.5 | I205 F207 V253 F285 | I205-I287 HydrophobicContact CG2-CB 4.39Å; I205-I287 HydrophobicContact CG2-CD1 4.04Å; I205-I287 HydrophobicContact CG2-CG1 4.49Å; I205-I287 WeakPolarHBondContact O-CA 3.36Å; I205-I287 WeakPolarHBondContact O-CB 3.38Å; I205-I287 PolarHBondContact O-N 3.33Å; F207-I287 HydrophobicContact CB-CD1 3.93Å; F207-I287 HydrophobicContact CB-CG1 4.12Å; V253-I287 HydrophobicContact CG1-CD1 3.99Å; V253-I287 HydrophobicContact CG2-CD1 4.3Å; F285-I287 HydrophobicContact CE2-CG1 4.26Å |
| 288 | Y | 96.3 | Very high | 96.9 | Very high | 161 Ų | 161 | 55.8 Ų | 55.8 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.2 | -177.9 | -58.8 | -62 | 0 | 0 | 0 | 109.9 | G204 I205 | G204-Y288 CarbonylContact C-O 3.55Å; G204-Y288 WeakPolarHBondContact CA-O 3.31Å; I205-Y288 HydrophobicContact CB-CD2 4.32Å; I205-Y288 PolarHBondContact N-O 3.45Å; I205-Y288 PolarHBondContact O-N 3.23Å |
| 289 | V | 95.8 | Very high | 97.2 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 140.9 | 167.9 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | P160 I202 I286 | P160-V289 HydrophobicContact CB-CG2 4.21Å; P160-V289 HydrophobicContact CG-CG2 3.81Å; I202-V289 HydrophobicContact CG2-CG1 3.74Å; I202-V289 HydrophobicContact CG2-CG2 4.29Å; I286-V289 HydrophobicContact CD1-CG2 3.5Å; I286-V289 HydrophobicContact CG1-CG2 4.5Å |
| 290 | D | 93.1 | Very high | 97.4 | Very high | 139 Ų | 139 | 53.1 Ų | 53.1 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | trans | -67.3 | 0 | 176.1 | -69 | -10.3 | 0 | 0 | 0 | 113.5 | P203 G204 H255 | P203-D290 HydrophobicContact CB-CB 4.35Å; P203-D290 HydrophobicContact CG-CB 4.49Å; P203-D290 PolarHBondContact O-N 3.5Å; G204-D290 WeakPolarHBondContact CA-OD1 3.33Å; H255-D290 IonicContact CD2-OD1 2.67Å; H255-D290 IonicContact CD2-OD2 2.73Å; H255-D290 IonicContact CE1-OD2 3.86Å; H255-D290 IonicContact NE2-OD1 3.37Å; H255-D290 IonicContact NE2-OD2 2.93Å; H255-D290 PolarHBondContact NE2-OD2 3.13Å |
Retrieved 290 of 290 residues in 457.3 ms
(Link to these results)