| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 39.9 | Very low | 228 Ų | 228 | 138.1 Ų | 138.1 | 100% | 1.123 | 85% | 0.853 | S | S | * | * | 0 | 128.4 | 0 | -85.9 | 156.7 | 125.2 | 0 | 0 | 108.3 | |||||
| 2 | Q | 39.7 | Very low | 40 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | 55.2 | 104.2 | 152.5 | -63.6 | 166.2 | 13.4 | 0 | 0 | 117.5 | ||||
| 3 | S | 39.5 | Very low | 40.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 84% | 0.842 | S | S | * | * | 59.2 | 114.9 | 75.2 | 72.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 4 | L | 42.1 | Very low | 41.3 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 90% | 0.901 | 85% | 0.845 | S | S | * | * | -165.8 | 144.3 | 123.7 | -97 | 168 | 0 | 0 | 0 | 110.4 | |||||
| 5 | P | 49.3 | Very low | 42.3 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 85% | 0.846 | S | S | * | * | trans | -101 | 163.6 | -175.7 | 38.4 | -30.3 | 0 | 0 | 0 | 112.2 | ||||
| 6 | N | 33.4 | Very low | 43 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 87% | 0.872 | 84% | 0.843 | S | S | * | * | trans | -121.5 | 131.8 | 162.3 | -146.8 | 7.6 | 0 | 0 | 0 | 110.8 | ||||
| 7 | S | 41.7 | Very low | 44.2 | Very low | 95 Ų | 95 | 144.6 Ų | 144.6 | 66% | 0.664 | 84% | 0.843 | S | S | * | * | trans | -84.1 | 139.4 | -168.2 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 8 | N | 36.8 | Very low | 45.7 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 94% | 0.941 | 83% | 0.834 | S | S | * | * | trans | -144.4 | 99.9 | 153.3 | -85.1 | -34.4 | 0 | 0 | 0 | 108.7 | ||||
| 9 | G | 34.9 | Very low | 47.4 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -101 | 112.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | A | 38.6 | Very low | 48.9 | Very low | 104 Ų | 104 | 144 Ų | 144 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -68.5 | 133 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A12 | A10-A12 PolarHBondContact O-N 3.41Š| ||
| 11 | A | 44.6 | Very low | 50.3 | Low | 108 Ų | 108 | 147.1 Ų | 147.1 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -78.2 | 111.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 12 | A | 41.1 | Very low | 52.1 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -91.8 | 113.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | A10 | A10-A12 PolarHBondContact O-N 3.41Š| ||
| 13 | G | 45.2 | Very low | 54 | Low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -59.5 | 137.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | R | 52.6 | Low | 56.2 | Low | 232 Ų | 232 | 133.9 Ų | 133.9 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | -104.3 | 109.3 | 174.1 | -77.4 | -179.2 | 154.3 | 171 | -5.2 | 108.9 | F16 | R14-F16 PolarHBondContact O-N 3.34Š| ||
| 15 | D | 55.8 | Low | 58.2 | Low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | trans | -58 | 111.3 | 166.7 | -73.6 | -56.7 | 0 | 0 | 0 | 110.3 | K17 | D15-K17 PolarHBondContact O-N 3.4Å; D15-K17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | F | 54.5 | Low | 59.9 | Low | 182 Ų | 182 | 126.8 Ų | 126.8 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | -82.8 | 86 | 173.5 | -117.6 | -89.4 | 0 | 0 | 0 | 109.4 | R14 M18 | R14-F16 PolarHBondContact O-N 3.34Å; F16-M18 VanDerWaalsContact C-N 3.27Å; F16-M18 PolarHBondContact O-N 2.88Å | ||
| 17 | K | 63.2 | Low | 62 | Low | 192 Ų | 192 | 121.9 Ų | 121.9 | 84% | 0.835 | 70% | 0.697 | S | S | * | * | trans | -75.2 | 83.6 | 170.6 | -160.8 | 166.9 | -176.1 | 164.7 | 0 | 108.6 | D15 K19 | D15-K17 PolarHBondContact O-N 3.4Å; D15-K17 VanDerWaalsContact O-N 3.11Å; K17-K19 PolarHBondContact O-N 3.35Å | ||
| 18 | M | 70.6 | Confident | 63.9 | Low | 139 Ų | 139 | 122 Ų | 122 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | trans | -57.4 | 121.8 | 175.2 | -66.5 | -173.1 | -178.1 | 0 | 0 | 108.9 | F16 | F16-M18 VanDerWaalsContact C-N 3.27Å; F16-M18 PolarHBondContact O-N 2.88Å | ||
| 19 | K | 79.1 | Confident | 65.9 | Low | 148 Ų | 148 | 118.2 Ų | 118.2 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | trans | -81.5 | 147.3 | 175.1 | -70.5 | 172 | 178.4 | 169.7 | 0 | 107.6 | K17 W21 D22 | K17-K19 PolarHBondContact O-N 3.35Å; K19-W21 PolarHBondContact O-N 2.9Å; K19-D22 PolarHBondContact N-OD2 3.35Å; K19-D22 WeakPolarHBondContact O-CA 3.42Å; K19-D22 WeakPolarHBondContact O-CB 3.47Å; K19-D22 PolarHBondContact O-N 3.24Å | ||
| 20 | L | 77.4 | Confident | 67.7 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -50.8 | -31.8 | 177.4 | -174.7 | 63.8 | 0 | 0 | 0 | 112.5 | D22 V23 V24 | L20-D22 VanDerWaalsContact C-N 3.35Å; L20-D22 PolarHBondContact O-N 3.21Å; L20-V23 PolarHBondContact O-N 2.94Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 3.3Å |
| 21 | W | 77.3 | Confident | 69.3 | Low | 210 Ų | 210 | 120.3 Ų | 120.3 | 80% | 0.795 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66 | -30.9 | 175.5 | -61.7 | 84.8 | 0 | 0 | 0 | 113.9 | K19 A25 | K19-W21 PolarHBondContact O-N 2.9Å; W21-A25 WeakPolarHBondContact O-CB 3.23Å; W21-A25 PolarHBondContact O-N 3.36Å |
| 22 | D | 76.6 | Confident | 70.2 | Confident | 87 Ų | 87 | 121.6 Ų | 121.6 | 47% | 0.465 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.2 | -40 | 175.5 | -59 | -43.2 | 0 | 0 | 0 | 110.4 | K19 L20 A25 V26 | K19-D22 PolarHBondContact N-OD2 3.35Å; K19-D22 WeakPolarHBondContact O-CA 3.42Å; K19-D22 WeakPolarHBondContact O-CB 3.47Å; K19-D22 PolarHBondContact O-N 3.24Å; L20-D22 VanDerWaalsContact C-N 3.35Å; L20-D22 PolarHBondContact O-N 3.21Å; D22-A25 PolarHBondContact O-N 3.06Å; D22-V26 VanDerWaalsContact O-CG2 3.3Å; D22-V26 WeakPolarHBondContact O-CG2 3.37Å; D22-V26 PolarHBondContact O-N 3.38Å |
| 23 | V | 80.3 | Confident | 71 | Confident | 72 Ų | 72 | 121.1 Ų | 121.1 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.6 | -44.1 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | L20 A25 V26 C27 | L20-V23 PolarHBondContact O-N 2.94Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 3Å; V23-V26 PolarHBondContact O-N 3.39Å; V23-C27 PolarHBondContact O-N 2.88Å; V23-C27 PolarHBondContact O-SG 3.45Å; V23-C27 VanDerWaalsContact O-SG 3.33Å |
| 24 | V | 85.9 | Confident | 71.5 | Confident | 68 Ų | 68 | 121 Ų | 121 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.9 | -40.1 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L20 C27 L28 | L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.48Å; L20-V24 PolarHBondContact O-N 3.3Å; V24-C27 PolarHBondContact O-N 2.89Å; V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 HydrophobicContact CG1-CG 4.32Å; V24-L28 WeakPolarHBondContact O-CB 3.45Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 3.46Å |
| 25 | A | 84 | Confident | 71.6 | Confident | 51 Ų | 51 | 114.8 Ų | 114.8 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.8 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W21 D22 V23 L28 V29 | W21-A25 WeakPolarHBondContact O-CB 3.23Å; W21-A25 PolarHBondContact O-N 3.36Å; D22-A25 PolarHBondContact O-N 3.06Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 3Å; A25-L28 PolarHBondContact O-N 2.8Å; A25-V29 VanDerWaalsContact O-CG2 3.3Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-V29 PolarHBondContact O-N 3.1Å |
| 26 | V | 83.3 | Confident | 71.5 | Confident | 86 Ų | 86 | 110.6 Ų | 110.6 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.4 | -44.9 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | D22 V23 L28 V29 L30 | D22-V26 VanDerWaalsContact O-CG2 3.3Å; D22-V26 WeakPolarHBondContact O-CG2 3.37Å; D22-V26 PolarHBondContact O-N 3.38Å; V23-V26 PolarHBondContact O-N 3.39Å; V26-L28 PolarHBondContact O-N 3.49Å; V26-V29 PolarHBondContact O-N 3.38Å; V26-L30 HydrophobicContact CG1-CD1 3.99Å; V26-L30 WeakPolarHBondContact O-CG 3.5Å; V26-L30 PolarHBondContact O-N 3.41Å |
| 27 | C | 77.4 | Confident | 71.3 | Confident | 61 Ų | 61 | 110.2 Ų | 110.2 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -42.6 | 177.2 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | V23 V24 V29 L30 L31 | V23-C27 PolarHBondContact O-N 2.88Å; V23-C27 PolarHBondContact O-SG 3.45Å; V23-C27 VanDerWaalsContact O-SG 3.33Å; V24-C27 PolarHBondContact O-N 2.89Å; C27-V29 VanDerWaalsContact C-N 3.35Å; C27-V29 PolarHBondContact O-N 3.07Å; C27-L30 PolarHBondContact O-N 3.24Å; C27-L31 WeakPolarHBondContact O-CD1 3.36Å; C27-L31 PolarHBondContact O-N 3.07Å |
| 28 | L | 82.7 | Confident | 70.7 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -38.5 | 178.7 | -73.9 | 171.9 | 0 | 0 | 0 | 111.9 | V24 A25 V26 L31 H32 | V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 HydrophobicContact CG1-CG 4.32Å; V24-L28 WeakPolarHBondContact O-CB 3.45Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 3.46Å; A25-L28 PolarHBondContact O-N 2.8Å; V26-L28 PolarHBondContact O-N 3.49Å; L28-L31 PolarHBondContact O-N 3.08Å; L28-H32 PolarHBondContact O-N 3.01Å; L28-H32 VanDerWaalsContact O-N 3.12Å; L28-H32 PolarHBondContact O-ND1 3.39Å |
| 29 | V | 78.1 | Confident | 69.9 | Low | 97 Ų | 97 | 108.1 Ų | 108.1 | 59% | 0.588 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.1 | -42.6 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | A25 V26 C27 L31 H32 T33 | A25-V29 VanDerWaalsContact O-CG2 3.3Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-V29 PolarHBondContact O-N 3.1Å; V26-V29 PolarHBondContact O-N 3.38Å; C27-V29 VanDerWaalsContact C-N 3.35Å; C27-V29 PolarHBondContact O-N 3.07Å; V29-L31 PolarHBondContact O-N 3.25Å; V29-H32 PolarHBondContact O-N 3.18Å; V29-T33 PolarHBondContact O-N 3.33Å |
| 30 | L | 73.6 | Confident | 68.5 | Low | 108 Ų | 108 | 107 Ų | 107 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -35.2 | 176.1 | -70.6 | 170.5 | 0 | 0 | 0 | 113.1 | V26 C27 T33 | V26-L30 HydrophobicContact CG1-CD1 3.99Å; V26-L30 WeakPolarHBondContact O-CG 3.5Å; V26-L30 PolarHBondContact O-N 3.41Å; C27-L30 PolarHBondContact O-N 3.24Å; L30-T33 PolarHBondContact O-OG1 3.37Å |
| 31 | L | 72.1 | Confident | 67 | Low | 121 Ų | 121 | 105.2 Ų | 105.2 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.9 | -31.8 | 176.5 | -94.9 | 89.6 | 0 | 0 | 0 | 113 | C27 L28 V29 T33 A34 | C27-L31 WeakPolarHBondContact O-CD1 3.36Å; C27-L31 PolarHBondContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 3.08Å; V29-L31 PolarHBondContact O-N 3.25Å; L31-T33 VanDerWaalsContact C-N 3.35Å; L31-A34 PolarHBondContact O-N 3.26Å |
| 32 | H | 62.7 | Low | 65.3 | Low | 136 Ų | 136 | 98.9 Ų | 98.9 | 63% | 0.63 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.4 | -25.6 | 178.8 | -79 | 69.7 | 0 | 0 | 0 | 112.9 | L28 V29 S35 | L28-H32 PolarHBondContact O-N 3.01Å; L28-H32 VanDerWaalsContact O-N 3.12Å; L28-H32 PolarHBondContact O-ND1 3.39Å; V29-H32 PolarHBondContact O-N 3.18Å; H32-S35 PolarHBondContact O-OG 3.42Å |
| 33 | T | 57.8 | Low | 63.5 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -81.5 | -20.5 | 176.4 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | V29 L30 L31 | V29-T33 PolarHBondContact O-N 3.33Å; L30-T33 PolarHBondContact O-OG1 3.37Å; L31-T33 VanDerWaalsContact C-N 3.35Å |
| 34 | A | 56.9 | Low | 61.6 | Low | 75 Ų | 75 | 112.5 Ų | 112.5 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.6 | -18.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | L31 | L31-A34 PolarHBondContact O-N 3.26Å |
| 35 | S | 54.2 | Low | 59.4 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 1.9 | -175.7 | 66.9 | 0 | 0 | 0 | 0 | 115.1 | H32 | H32-S35 PolarHBondContact O-OG 3.42Š|
| 36 | A | 54.4 | Low | 57.6 | Low | 75 Ų | 75 | 118.5 Ų | 118.5 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | trans | -110.7 | 27.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 37 | F | 50.7 | Low | 55.3 | Low | 175 Ų | 175 | 123.8 Ų | 123.8 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | trans | -106.3 | 110.7 | 170.1 | -74.1 | -77.5 | 0 | 0 | 0 | 111.1 | ||||
| 38 | P | 50.5 | Low | 53.4 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.6 | 169.8 | 29.2 | -29 | 0 | 0 | 0 | 109.5 | ||
| 39 | L | 52.8 | Low | 51.5 | Low | 169 Ų | 169 | 126.1 Ų | 126.1 | 89% | 0.885 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 127.6 | 174.6 | -68.9 | 165.6 | 0 | 0 | 0 | 110.3 | A41 | L39-A41 PolarHBondContact O-N 2.62Š|
| 40 | P | 49.1 | Very low | 49.7 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125.1 | 175.6 | 26.4 | -29.4 | 0 | 0 | 0 | 110.7 | G42 | P40-G42 PolarHBondContact O-N 3.25Š|
| 41 | A | 47.6 | Very low | 47.9 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -61 | 119.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L39 K43 | L39-A41 PolarHBondContact O-N 2.62Å; A41-K43 PolarHBondContact O-N 3.37Å |
| 42 | G | 40 | Very low | 46 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 124.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P40 | P40-G42 PolarHBondContact O-N 3.25Š|
| 43 | K | 38.5 | Very low | 44.6 | Very low | 207 Ų | 207 | 137.6 Ų | 137.6 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.1 | 173 | -70.2 | 173.4 | 177.1 | 175 | 0 | 109.8 | A41 | A41-K43 PolarHBondContact O-N 3.37Š|
| 44 | R | 40.6 | Very low | 43.7 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 141.1 | 167 | -64.8 | -178.9 | -168.4 | 162.6 | 2.8 | 110 | ||
| 45 | P | 40.4 | Very low | 42.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 158.7 | 161.8 | 11.3 | 6.8 | 0 | 0 | 0 | 111.7 | ||
| 46 | P | 45.3 | Very low | 41.9 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 152.8 | -169 | 33.6 | -33.4 | 0 | 0 | 0 | 113.8 | ||
| 47 | E | 36.3 | Very low | 40.9 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 145 | 173.8 | -80.8 | -176.2 | 127.7 | 0 | 0 | 113.8 | ||
| 48 | A | 36.7 | Very low | 40.4 | Very low | 94 Ų | 94 | 153.4 Ų | 153.4 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | 154.1 | 162 | 122.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 49 | P | 44.1 | Very low | 39.5 | Very low | 111 Ų | 111 | 159.7 Ų | 159.7 | 72% | 0.721 | 84% | 0.842 | S | S | * | * | cis | -130.2 | 161.5 | -42.9 | 36 | -19.7 | 0 | 0 | 0 | 113.8 | ||||
| 50 | T | 39.3 | Very low | 38.9 | Very low | 128 Ų | 128 | 155.7 Ų | 155.7 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | 24.7 | 131.3 | 151.5 | 57.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 51 | E | 35 | Very low | 38.8 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | -166.4 | 138.5 | 130 | -95.5 | -79.3 | 121.3 | 0 | 0 | 109.7 | |||||
| 52 | D | 32.2 | Very low | 38.2 | Very low | 148 Ų | 148 | 160.7 Ų | 160.7 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | trans | -63.3 | 146.9 | 179.8 | -95.3 | -46.7 | 0 | 0 | 0 | 113.4 | ||||
| 53 | R | 34.1 | Very low | 38.2 | Very low | 237 Ų | 237 | 161.6 Ų | 161.6 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | 170.4 | 120.8 | 123.4 | -93.3 | 170.5 | 119.8 | 104.6 | 2.1 | 112.7 | |||||
| 54 | S | 38.3 | Very low | 38.4 | Very low | 110 Ų | 110 | 159.5 Ų | 159.5 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | trans | -62.1 | 141.4 | 160.4 | 37 | 0 | 0 | 0 | 0 | 112 | ||||
| 55 | L | 38.8 | Very low | 38.3 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -173.5 | 123 | 144.7 | -99.7 | 169.3 | 0 | 0 | 0 | 109.6 | ||||
| 56 | G | 34.3 | Very low | 38.5 | Very low | 75 Ų | 75 | 153.1 Ų | 153.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -79.7 | 162.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 57 | R | 34.9 | Very low | 38.2 | Very low | 242 Ų | 242 | 154.7 Ų | 154.7 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -161.4 | 124.5 | 146.4 | -141.9 | 167.9 | -170.5 | -163.9 | 2.3 | 112.4 | ||||
| 58 | R | 39.3 | Very low | 38.7 | Very low | 238 Ų | 238 | 150.7 Ų | 150.7 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -65.5 | 138.7 | 161 | -65.7 | -176.4 | -176.4 | -143.4 | 3.9 | 110.1 | ||||
| 59 | R | 32.4 | Very low | 39.2 | Very low | 249 Ų | 249 | 153.9 Ų | 153.9 | 94% | 0.94 | 83% | 0.827 | S | S | * | * | -171.2 | 153.1 | 124.2 | -114.6 | 174.1 | -177.8 | 157.7 | 0.4 | 112.8 | |||||
| 60 | A | 40.1 | Very low | 39.5 | Very low | 84 Ų | 84 | 156.5 Ų | 156.5 | 69% | 0.694 | 83% | 0.832 | S | S | * | * | trans | -79.6 | -179.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | P | 46.7 | Very low | 40 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | trans | -92 | 156.5 | -155.6 | 37.8 | -34.8 | 0 | 0 | 0 | 113.7 | ||||
| 62 | F | 35.8 | Very low | 40.9 | Very low | 212 Ų | 212 | 155.6 Ų | 155.6 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -128.8 | 143.2 | 161.2 | -71.3 | -74.2 | 0 | 0 | 0 | 110.7 | ||||
| 63 | A | 38.3 | Very low | 42 | Very low | 96 Ų | 96 | 155 Ų | 155 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | trans | -84.9 | 152.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 64 | L | 43 | Very low | 43.1 | Very low | 162 Ų | 162 | 154.3 Ų | 154.3 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | 49 | 115.9 | 141.8 | -138.4 | 79.2 | 0 | 0 | 0 | 119.6 | ||||
| 65 | S | 38.3 | Very low | 43.9 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -146.3 | 118.1 | 142.1 | -63.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 66 | S | 46.4 | Very low | 45 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -83.6 | 121.1 | 175.7 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 67 | D | 38.8 | Very low | 46.2 | Very low | 162 Ų | 162 | 154.9 Ų | 154.9 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -136.4 | 112.4 | 162.6 | -94.8 | -35 | 0 | 0 | 0 | 108.9 | ||||
| 68 | S | 46.5 | Very low | 47.5 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -84.8 | 109.6 | 177.4 | -52.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 69 | N | 45.8 | Very low | 49 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -145.4 | 105.7 | 165.8 | -141.4 | -6.3 | 0 | 0 | 0 | 108.9 | ||||
| 70 | M | 51.8 | Low | 50.9 | Low | 167 Ų | 167 | 138.2 Ų | 138.2 | 82% | 0.823 | 76% | 0.761 | S | S | * | * | trans | -96.7 | 124.9 | 178.6 | -168.9 | 67.1 | 90.1 | 0 | 0 | 108.8 | ||||
| 71 | P | 49.6 | Very low | 52.8 | Low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -76.1 | 121.2 | 169.3 | -10.1 | 26.6 | 0 | 0 | 0 | 110.3 | D73 | P71-D73 PolarHBondContact O-N 3Š| ||
| 72 | E | 54.1 | Low | 54.4 | Low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -73.3 | 93 | 163.2 | -77.7 | -79.5 | 134.3 | 0 | 0 | 108.5 | ||||
| 73 | D | 55.7 | Low | 56.6 | Low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -149.1 | 97.7 | 166.9 | -149.4 | 0.2 | 0 | 0 | 0 | 109 | P71 | P71-D73 PolarHBondContact O-N 3Š| ||
| 74 | Y | 55.6 | Low | 58.6 | Low | 222 Ų | 222 | 135.1 Ų | 135.1 | 87% | 0.871 | 72% | 0.716 | S | S | * | * | trans | -126.2 | 96.6 | 177.5 | -115.7 | -83.1 | 0 | 0 | 0 | 108.7 | ||||
| 75 | P | 56.9 | Low | 60.5 | Low | 86 Ų | 86 | 131 Ų | 131 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | trans | -98.4 | 140 | -178.1 | 32.1 | -25.2 | 0 | 0 | 0 | 113.7 | Q77 | P75-Q77 VanDerWaalsContact C-N 3.34Å; P75-Q77 PolarHBondContact O-N 3.18Å | ||
| 76 | D | 61.2 | Low | 62.4 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 57.8 | -3.1 | 138.6 | -60.2 | -17.1 | 0 | 0 | 0 | 122.3 | F78 | D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 3.02Å |
| 77 | Q | 58.4 | Low | 63.8 | Low | 157 Ų | 157 | 127.2 Ų | 127.2 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79.8 | -9.3 | -177.8 | -163 | 161.6 | 75.4 | 0 | 0 | 114.6 | P75 V81 | P75-Q77 VanDerWaalsContact C-N 3.34Å; P75-Q77 PolarHBondContact O-N 3.18Å; Q77-V81 WeakPolarHBondContact O-CG2 3.41Å |
| 78 | F | 62.3 | Low | 65.7 | Low | 146 Ų | 146 | 122 Ų | 122 | 64% | 0.64 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -88 | -26.1 | -176.8 | -80.6 | -86.3 | 0 | 0 | 0 | 113.8 | D76 V81 M82 | D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 3.02Å; F78-V81 PolarHBondContact O-N 3.5Å; F78-M82 WeakPolarHBondContact O-CG 3.41Å; F78-M82 PolarHBondContact O-N 3.25Å |
| 79 | D | 71 | Confident | 67.2 | Low | 109 Ų | 109 | 121.4 Ų | 121.4 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68 | -41.2 | -178.5 | -72.3 | -34.3 | 0 | 0 | 0 | 111.3 | V81 M82 D83 | D79-V81 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 3.4Å; D79-M82 PolarHBondContact O-N 3.05Å; D79-D83 WeakPolarHBondContact O-CB 3.38Å; D79-D83 PolarHBondContact O-N 3.17Å |
| 80 | D | 72.3 | Confident | 68.6 | Low | 124 Ų | 124 | 119 Ų | 119 | 66% | 0.663 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.3 | -37.9 | 174.8 | -76.1 | -29.2 | 0 | 0 | 0 | 112.5 | F84 | D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.12Å |
| 81 | V | 80.2 | Confident | 69.3 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.8 | -42.2 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | Q77 F78 D79 F84 I85 | Q77-V81 WeakPolarHBondContact O-CG2 3.41Å; F78-V81 PolarHBondContact O-N 3.5Å; D79-V81 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 3.4Å; V81-F84 PolarHBondContact O-N 3.35Å; V81-I85 HydrophobicContact CG1-CD1 3.89Å; V81-I85 WeakPolarHBondContact O-CD1 3.37Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 3.28Å; V81-I85 PolarHBondContact O-N 3.18Å |
| 82 | M | 81 | Confident | 70 | Confident | 118 Ų | 118 | 121.4 Ų | 121.4 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.5 | -37.8 | 177.8 | -73.8 | -59.2 | -161.2 | 0 | 0 | 112.1 | F78 D79 I85 Q86 | F78-M82 WeakPolarHBondContact O-CG 3.41Å; F78-M82 PolarHBondContact O-N 3.25Å; D79-M82 PolarHBondContact O-N 3.05Å; M82-I85 PolarHBondContact O-N 2.9Å; M82-I85 HydrophobicContact SD-CD1 4.28Å; M82-Q86 WeakPolarHBondContact O-CB 3.43Å; M82-Q86 PolarHBondContact O-N 3.03Å |
| 83 | D | 81.3 | Confident | 70.4 | Confident | 110 Ų | 110 | 121.3 Ų | 121.3 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.7 | -39 | 174.9 | -92.2 | -6.6 | 0 | 0 | 0 | 112.3 | D79 Q86 A87 | D79-D83 WeakPolarHBondContact O-CB 3.38Å; D79-D83 PolarHBondContact O-N 3.17Å; D83-Q86 PolarHBondContact O-N 3.49Å; D83-A87 VanDerWaalsContact O-CB 3.26Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.37Å |
| 84 | F | 80.4 | Confident | 70.6 | Confident | 139 Ų | 139 | 124.7 Ų | 124.7 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.4 | -44.1 | 173.8 | -179.1 | -101 | 0 | 0 | 0 | 112.3 | D80 V81 A87 T88 | D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.12Å; V81-F84 PolarHBondContact O-N 3.35Å; F84-A87 PolarHBondContact O-N 3.35Å; F84-T88 WeakPolarHBondContact O-CB 3.3Å; F84-T88 PolarHBondContact O-N 2.84Å; F84-T88 PolarHBondContact O-OG1 2.78Å |
| 85 | I | 83.3 | Confident | 69.9 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 40% | 0.395 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.2 | -46.2 | 176.5 | -68 | 165.5 | 0 | 0 | 0 | 109.8 | V81 M82 A87 T88 I89 | V81-I85 HydrophobicContact CG1-CD1 3.89Å; V81-I85 WeakPolarHBondContact O-CD1 3.37Å; V81-I85 VanDerWaalsContact O-CG1 3.23Å; V81-I85 WeakPolarHBondContact O-CG1 3.28Å; V81-I85 PolarHBondContact O-N 3.18Å; M82-I85 PolarHBondContact O-N 2.9Å; M82-I85 HydrophobicContact SD-CD1 4.28Å; I85-A87 PolarHBondContact O-N 3.37Å; I85-T88 PolarHBondContact O-N 3.41Å; I85-I89 HydrophobicContact CG2-CD1 3.86Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 2.89Å |
| 86 | Q | 77.6 | Confident | 69.8 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.8 | -36.5 | -177.9 | -151.4 | -169.8 | 65.3 | 0 | 0 | 112.2 | M82 D83 T88 K90 | M82-Q86 WeakPolarHBondContact O-CB 3.43Å; M82-Q86 PolarHBondContact O-N 3.03Å; D83-Q86 PolarHBondContact O-N 3.49Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; Q86-K90 WeakPolarHBondContact O-CB 3.31Å; Q86-K90 WeakPolarHBondContact O-CG 3.24Å; Q86-K90 PolarHBondContact O-N 3.31Å |
| 87 | A | 76.9 | Confident | 69.5 | Low | 38 Ų | 38 | 122.1 Ų | 122.1 | 31% | 0.314 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.5 | -37.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D83 F84 I85 K90 R91 | D83-A87 VanDerWaalsContact O-CB 3.26Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.37Å; F84-A87 PolarHBondContact O-N 3.35Å; I85-A87 PolarHBondContact O-N 3.37Å; A87-K90 PolarHBondContact O-N 3.12Å; A87-R91 WeakPolarHBondContact O-CG 3.48Å; A87-R91 PolarHBondContact O-N 3.3Å; A87-R91 VanDerWaalsContact O-N 3.1Å |
| 88 | T | 78.4 | Confident | 68.7 | Low | 54 Ų | 54 | 123.2 Ų | 123.2 | 33% | 0.331 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.2 | -42.8 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | F84 I85 Q86 R91 L92 | F84-T88 WeakPolarHBondContact O-CB 3.3Å; F84-T88 PolarHBondContact O-N 2.84Å; F84-T88 PolarHBondContact O-OG1 2.78Å; I85-T88 PolarHBondContact O-N 3.41Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; T88-R91 PolarHBondContact O-N 3.5Å; T88-L92 HydrophobicContact CG2-CD1 4.39Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.08Å |
| 89 | I | 78.6 | Confident | 67.6 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 52% | 0.518 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 176 | -64.4 | 168.4 | 0 | 0 | 0 | 111 | I85 R91 L92 K93 | I85-I89 HydrophobicContact CG2-CD1 3.86Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 2.89Å; I89-R91 VanDerWaalsContact C-N 3.28Å; I89-R91 PolarHBondContact O-N 2.92Å; I89-L92 PolarHBondContact O-N 3.44Å; I89-K93 PolarHBondContact O-N 3.2Å |
| 90 | K | 73.4 | Confident | 65.8 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 48% | 0.478 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.4 | -29.7 | 176 | -78.8 | 174 | -178.2 | 163.4 | 0 | 112.9 | Q86 A87 | Q86-K90 WeakPolarHBondContact O-CB 3.31Å; Q86-K90 WeakPolarHBondContact O-CG 3.24Å; Q86-K90 PolarHBondContact O-N 3.31Å; A87-K90 PolarHBondContact O-N 3.12Å |
| 91 | R | 66.6 | Low | 64.2 | Low | 185 Ų | 185 | 127.6 Ų | 127.6 | 70% | 0.698 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.6 | -42.1 | 175.1 | -77.4 | 177.5 | -179.4 | 140.1 | -0 | 112.5 | A87 T88 I89 K93 R94 | A87-R91 WeakPolarHBondContact O-CG 3.48Å; A87-R91 PolarHBondContact O-N 3.3Å; A87-R91 VanDerWaalsContact O-N 3.1Å; T88-R91 PolarHBondContact O-N 3.5Å; I89-R91 VanDerWaalsContact C-N 3.28Å; I89-R91 PolarHBondContact O-N 2.92Å; R91-K93 PolarHBondContact O-N 3.43Å; R91-R94 PolarHBondContact O-N 3.42Å |
| 92 | L | 65.9 | Low | 62.5 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.3 | -31.8 | 176.6 | -78.7 | 160.6 | 0 | 0 | 0 | 112.7 | T88 I89 R94 | T88-L92 HydrophobicContact CG2-CD1 4.39Å; T88-L92 PolarHBondContact O-N 2.85Å; T88-L92 VanDerWaalsContact O-N 3.08Å; I89-L92 PolarHBondContact O-N 3.44Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 2.96Å |
| 93 | K | 62.2 | Low | 60.8 | Low | 189 Ų | 189 | 132.6 Ų | 132.6 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -2 | -178.8 | -149.1 | 174.6 | -179 | -178.9 | 0 | 114.4 | I89 R91 | I89-K93 PolarHBondContact O-N 3.2Å; R91-K93 PolarHBondContact O-N 3.43Å |
| 94 | R | 58.1 | Low | 59.1 | Low | 207 Ų | 207 | 132.9 Ų | 132.9 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 14 | -169.1 | -92.5 | -163.3 | 179.5 | 109.5 | -4.6 | 117.2 | R91 L92 | R91-R94 PolarHBondContact O-N 3.42Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 2.96Å |
| 95 | S | 41.5 | Very low | 57.2 | Low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -142.7 | 144.5 | 172.5 | -142.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 96 | P | 55.4 | Low | 55.2 | Low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | -98.6 | 153.9 | -149 | 37.5 | -32.4 | 0 | 0 | 0 | 114.9 | K98 | P96-K98 PolarHBondContact O-N 3.37Š| ||
| 97 | D | 55.2 | Low | 53.6 | Low | 168 Ų | 168 | 145 Ų | 145 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -45 | 121.6 | 165.1 | -81.9 | -63.6 | 0 | 0 | 0 | 113.3 | ||||
| 98 | K | 41.6 | Very low | 52.1 | Low | 180 Ų | 180 | 152.6 Ų | 152.6 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -146.9 | 113.8 | 157.1 | -92.8 | -175.1 | -175.7 | 176 | 0 | 113 | P96 | P96-K98 PolarHBondContact O-N 3.37Š| ||
| 99 | Q | 38.7 | Very low | 50.2 | Low | 174 Ų | 174 | 157.2 Ų | 157.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 82.2 | 92.7 | 138.9 | -59.2 | 176 | 5.7 | 0 | 0 | 119.3 | ||||
| 100 | M | 33.8 | Very low | 48.7 | Very low | 193 Ų | 193 | 163 Ų | 163 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | trans | -102.2 | 108.4 | 145.6 | -75.7 | 176.3 | 75.4 | 0 | 0 | 108.7 | ||||
| 101 | A | 37.4 | Very low | 47.4 | Very low | 104 Ų | 104 | 166.9 Ų | 166.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -75.6 | 130.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 102 | V | 46.1 | Very low | 46 | Very low | 129 Ų | 129 | 162.8 Ų | 162.8 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 137 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 103 | L | 43.8 | Very low | 44.7 | Very low | 169 Ų | 169 | 160.7 Ų | 160.7 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -137.4 | 148.9 | 153.9 | -73.9 | -178 | 0 | 0 | 0 | 111.2 | ||||
| 104 | P | 46.4 | Very low | 43.6 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -102.8 | 153.1 | -149.6 | 32.8 | -22 | 0 | 0 | 0 | 115.7 | ||||
| 105 | R | 40.7 | Very low | 42.9 | Very low | 209 Ų | 209 | 151.7 Ų | 151.7 | 79% | 0.789 | 81% | 0.813 | S | S | * | * | trans | -59.5 | 121.3 | 174.9 | 178.2 | 179.3 | 168.8 | 137 | -6.3 | 112.5 | E107 | R105-E107 IonicContact CZ-OE1 2.87Å; R105-E107 IonicContact NE-OE1 3.92Å; R105-E107 PolarHBondContact NE-OE1 3.41Å; R105-E107 IonicContact NH2-OE1 3.01Å; R105-E107 PolarHBondContact NH2-OE1 2.6Å; R105-E107 PolarHBondContact O-N 3.22Å | ||
| 106 | R | 41.6 | Very low | 42.8 | Very low | 217 Ų | 217 | 153.5 Ų | 153.5 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | trans | -91.1 | 100 | 168.4 | -161.7 | 173.7 | -171.5 | 164.9 | 3.4 | 109.6 | ||||
| 107 | E | 43.9 | Very low | 42.8 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | trans | -82.9 | 123.7 | 172.9 | -151.2 | 147 | -125.5 | 0 | 0 | 108.5 | R105 | R105-E107 IonicContact CZ-OE1 2.87Å; R105-E107 IonicContact NE-OE1 3.92Å; R105-E107 PolarHBondContact NE-OE1 3.41Å; R105-E107 IonicContact NH2-OE1 3.01Å; R105-E107 PolarHBondContact NH2-OE1 2.6Å; R105-E107 PolarHBondContact O-N 3.22Å | ||
| 108 | R | 45 | Very low | 42.3 | Very low | 199 Ų | 199 | 154.4 Ų | 154.4 | 75% | 0.751 | 81% | 0.814 | S | S | * | * | trans | -135.2 | 96.1 | 168.4 | -169.8 | 177.1 | -77.1 | -179.8 | -5.2 | 110.3 | ||||
| 109 | N | 38.8 | Very low | 42.6 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 66.6 | 111.9 | 132.1 | -123.6 | 9 | 0 | 0 | 0 | 119.1 | ||||
| 110 | R | 47.5 | Very low | 43.1 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -96.9 | 160.3 | 156.1 | -84.9 | -178.9 | 163.9 | 149 | -4.1 | 109.1 | ||||
| 111 | Q | 45.6 | Very low | 44 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | 90.3 | 133.3 | 166.1 | -54.1 | 161.5 | 6.3 | 0 | 0 | 113.1 | ||||
| 112 | A | 36.3 | Very low | 44.3 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | cis | -166.3 | 152.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 113 | A | 38.9 | Very low | 44.6 | Very low | 96 Ų | 96 | 152.5 Ų | 152.5 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 169.3 | 95.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 114 | A | 40.3 | Very low | 44.8 | Very low | 101 Ų | 101 | 148 Ų | 148 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | 65.6 | 102 | 85.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 115 | A | 43.1 | Very low | 45.3 | Very low | 105 Ų | 105 | 154 Ų | 154 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 40.9 | 110.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 116 | N | 39.2 | Very low | 46.2 | Very low | 146 Ų | 146 | 155.9 Ų | 155.9 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | -155.3 | 116.7 | 139.1 | -165.9 | 3.5 | 0 | 0 | 0 | 110.1 | ||||
| 117 | P | 54.7 | Low | 46.9 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | -101.6 | 93.2 | 175 | 34.8 | -22 | 0 | 0 | 0 | 109 | ||||
| 118 | E | 45.6 | Very low | 47.3 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -158.9 | 130.8 | 158.3 | -117.3 | 172.7 | -178.7 | 0 | 0 | 113.1 | ||||
| 119 | N | 48.3 | Very low | 47.9 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | 71.7 | 91 | 159.4 | -144.9 | 13.8 | 0 | 0 | 0 | 117.9 | ||||
| 120 | S | 48.1 | Very low | 48.7 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -152.9 | 98.6 | 137.7 | 14.3 | 0 | 0 | 0 | 0 | 110.2 | G122 | S120-G122 PolarHBondContact O-N 2.95Š| ||
| 121 | K | 52.3 | Low | 49.1 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -51.5 | 87.5 | 155.8 | -95.9 | 169.5 | 168.6 | 168.5 | 0 | 108.6 | K123 | K121-K123 PolarHBondContact O-N 3.49Š| ||
| 122 | G | 44.4 | Very low | 49.7 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -72 | 68.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S120 G124 | S120-G122 PolarHBondContact O-N 2.95Å; G122-G124 PolarHBondContact O-N 2.9Å; G122-G124 VanDerWaalsContact O-N 3.07Å | ||
| 123 | K | 51.7 | Low | 51.4 | Low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -56.7 | 113.2 | 169.2 | -154.4 | 171.4 | -173.2 | 176.1 | 0 | 106.7 | K121 R125 | K121-K123 PolarHBondContact O-N 3.49Å; K123-R125 PolarHBondContact O-N 3.49Å | ||
| 124 | G | 48.7 | Very low | 53.7 | Low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | trans | -48.2 | 101.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G122 R126 | G122-G124 PolarHBondContact O-N 2.9Å; G122-G124 VanDerWaalsContact O-N 3.07Å; G124-R126 PolarHBondContact O-N 3.4Å | ||
| 125 | R | 55.6 | Low | 56.3 | Low | 242 Ų | 242 | 138.4 Ų | 138.4 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | -81.2 | 64 | 165.9 | -74.9 | -176.8 | 169.6 | -179.4 | -2.2 | 109.1 | K123 | K123-R125 PolarHBondContact O-N 3.49Š| ||
| 126 | R | 59.7 | Low | 58.7 | Low | 250 Ų | 250 | 136.1 Ų | 136.1 | 94% | 0.943 | 72% | 0.718 | S | S | * | * | trans | -122.2 | 91.9 | 163.1 | -77.8 | -174.3 | 179.7 | 176 | 0.5 | 107.1 | G124 | G124-R126 PolarHBondContact O-N 3.4Š| ||
| 127 | G | 56.4 | Low | 61.5 | Low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 165.6 | -10.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 128 | Q | 53 | Low | 63.5 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 68% | 0.676 | S | S | * | * | trans | -113.8 | 60 | -174.9 | -149.6 | 173.3 | 35.6 | 0 | 0 | 111.9 | ||||
| 129 | R | 57 | Low | 66 | Low | 221 Ų | 221 | 123.4 Ų | 123.4 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -128.5 | 17.6 | 171.8 | -104.6 | -173.2 | 179.9 | 177 | -0 | 113.3 | R133 | R129-R133 PolarHBondContact O-NE 3.48Å; R129-R133 PolarHBondContact O-NH2 3.02Å |
| 130 | G | 55.3 | Low | 68.3 | Low | 44 Ų | 44 | 119.4 Ų | 119.4 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | trans | -125.4 | 1.5 | -161 | 0 | 0 | 0 | 0 | 0 | 117.9 | N132 | G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.32Å | ||
| 131 | K | 57.1 | Low | 70.7 | Confident | 179 Ų | 179 | 120.5 Ų | 120.5 | 78% | 0.778 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -18.5 | -172.9 | -75.5 | -178.4 | 172.1 | -172.7 | 0 | 114.7 | ||
| 132 | N | 57.7 | Low | 72.9 | Confident | 153 Ų | 153 | 113 Ų | 113 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | 29.6 | -178.8 | -57.2 | -4.4 | 0 | 0 | 0 | 112.1 | G130 G134 | G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.32Å; N132-G134 PolarHBondContact O-N 3.37Å |
| 133 | R | 72.3 | Confident | 75.4 | Confident | 143 Ų | 143 | 111.9 Ų | 111.9 | 54% | 0.54 | 57% | 0.573 | S | S | . | * | trans | -80.1 | 118.1 | 169.1 | -65.3 | -178.2 | -174.5 | -169 | -4.4 | 105.9 | R129 S165 | R129-R133 PolarHBondContact O-NE 3.48Å; R129-R133 PolarHBondContact O-NH2 3.02Å; R133-S165 PolarHBondContact O-N 3.38Å | ||
| 134 | G | 87.6 | Confident | 77.5 | Confident | 37 Ų | 37 | 102.7 Ų | 102.7 | 38% | 0.381 | 53% | 0.534 | S | S | . | . | B | Isolated β-bridge | trans | -60 | -169.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | N132 V136 S165 | N132-G134 PolarHBondContact O-N 3.37Å; G134-V136 WeakPolarHBondContact O-CG1 3.14Å; G134-V136 PolarHBondContact O-N 3.2Å; G134-S165 CarbonylContact C-O 3.57Å; G134-S165 WeakPolarHBondContact CA-O 3.29Å |
| 135 | C | 93.8 | Very high | 79.9 | Confident | 34 Ų | 34 | 102.3 Ų | 102.3 | 23% | 0.23 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -62.2 | 110.4 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | S165 C196 G226 | C135-S165 PolarHBondContact N-O 2.94Å; C135-S165 VanDerWaalsContact N-O 3.11Å; C135-C196 WeakPolarHBondContact CA-SG 3.35Å; C135-C196 HydrophobicContact CB-CB 3.71Å; C135-C196 WeakPolarHBondContact CB-SG 3.36Å; C135-C196 WeakPolarHBondContact SG-CA 3.5Å; C135-C196 WeakPolarHBondContact SG-CB 3.32Å; C135-C196 CovalentContact SG-SG 2.04Å; C135-C196 PolarHBondContact SG-SG 3.06Å; C135-G226 PolarHBondContact SG-O 3.06Å |
| 136 | V | 94.7 | Very high | 81.8 | Confident | 57 Ų | 57 | 95.2 Ų | 95.2 | 35% | 0.345 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.5 | -174.1 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | G134 S163 | G134-V136 WeakPolarHBondContact O-CG1 3.14Å; G134-V136 PolarHBondContact O-N 3.2Å; V136-S163 VanDerWaalsContact CG2-O 3.29Å; V136-S163 WeakPolarHBondContact CG2-O 3.35Å; V136-S163 PolarHBondContact N-O 2.89Å; V136-S163 PolarHBondContact O-N 3.33Å |
| 137 | L | 97.1 | Very high | 83.6 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 38% | 0.382 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.3 | 172.8 | -170.4 | 67.3 | 0 | 0 | 0 | 109.9 | R160 A222 K223 C225 | L137-R160 HydrophobicContact CD1-CB 3.97Å; L137-R160 HydrophobicContact CG-CB 4.37Å; L137-A222 HydrophobicContact CD1-CB 3.78Å; L137-A222 WeakPolarHBondContact CD1-O 3.45Å; L137-K223 WeakPolarHBondContact CD2-O 3.35Å; L137-C225 WeakPolarHBondContact CD1-SG 3.39Å |
| 138 | T | 97.1 | Very high | 85.5 | Confident | 45 Ų | 45 | 85 Ų | 85 | 28% | 0.276 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.1 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | R160 Y161 | T138-R160 CarbonylContact O-C 3.5Å; T138-R160 WeakPolarHBondContact O-CA 3.42Å; T138-Y161 HydrophobicContact CG2-CE1 3.91Å; T138-Y161 HydrophobicContact CG2-CE2 4.41Å; T138-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T138-Y161 PolarHBondContact N-O 2.83Å; T138-Y161 PolarHBondContact O-N 2.84Å |
| 139 | A | 97.5 | Very high | 87.5 | Confident | 56 Ų | 56 | 81.7 Ų | 81.7 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I158 R160 | A139-I158 HydrophobicContact CB-CG2 4.02Å; A139-R160 HydrophobicContact CB-CG 3.93Å |
| 140 | I | 97.7 | Very high | 89.4 | Confident | 63 Ų | 63 | 74.7 Ų | 74.7 | 32% | 0.323 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.7 | 173.4 | 57.4 | 173.9 | 0 | 0 | 0 | 109.2 | L142 I158 F159 Y161 | I140-L142 HydrophobicContact CD1-CD1 3.65Å; I140-L142 HydrophobicContact CD1-CD2 4.18Å; I140-L142 HydrophobicContact CD1-CG 3.96Å; I140-L142 HydrophobicContact CG1-CD1 4.07Å; I140-L142 HydrophobicContact CG1-CG 4.07Å; I140-I158 CarbonylContact O-C 3.54Å; I140-I158 WeakPolarHBondContact O-CA 3.32Å; I140-F159 HydrophobicContact CD1-CD1 4Å; I140-F159 HydrophobicContact CG1-CB 4.13Å; I140-F159 HydrophobicContact CG1-CD1 3.98Å; I140-F159 VanDerWaalsContact CG1-O 3.29Å; I140-F159 WeakPolarHBondContact CG1-O 3.45Å; I140-F159 PolarHBondContact N-O 2.99Å; I140-F159 PolarHBondContact O-N 3.46Å; I140-Y161 HydrophobicContact CD1-CE1 4.14Å; I140-Y161 HydrophobicContact CG1-CD1 4.48Å; I140-Y161 HydrophobicContact CG1-CE1 4.19Å; I140-Y161 HydrophobicContact CG2-CE1 4.03Å |
| 141 | H | 98.1 | Very high | 91.3 | Very high | 143 Ų | 143 | 75.7 Ų | 75.7 | 66% | 0.662 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.7 | 173.8 | -69.6 | -153.1 | 0 | 0 | 0 | 107.9 | I158 | H141-I158 WeakPolarHBondContact NE2-CD1 3.38Å |
| 142 | L | 97.6 | Very high | 93.2 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.236 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.7 | -175.5 | -67.5 | 179.7 | 0 | 0 | 0 | 110.3 | I140 D146 L147 E156 L157 F159 | I140-L142 HydrophobicContact CD1-CD1 3.65Å; I140-L142 HydrophobicContact CD1-CD2 4.18Å; I140-L142 HydrophobicContact CD1-CG 3.96Å; I140-L142 HydrophobicContact CG1-CD1 4.07Å; I140-L142 HydrophobicContact CG1-CG 4.07Å; L142-D146 HydrophobicContact CB-CB 4.29Å; L142-D146 HydrophobicContact CD2-CB 4.29Å; L142-L147 HydrophobicContact CD1-CD2 4.15Å; L142-E156 CarbonylContact O-C 3.59Å; L142-E156 WeakPolarHBondContact O-CA 3.45Å; L142-L157 PolarHBondContact N-O 3.26Å; L142-L157 PolarHBondContact O-N 3.2Å; L142-L157 VanDerWaalsContact O-O 3.1Å; L142-F159 HydrophobicContact CD1-CB 3.98Å; L142-F159 HydrophobicContact CD1-CG 4.46Å |
| 143 | N | 97.6 | Very high | 95 | Very high | 53 Ų | 53 | 66.8 Ų | 66.8 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 157.3 | 162.1 | -55.9 | -73.3 | 0 | 0 | 0 | 110 | T145 D146 E156 | N143-T145 WeakPolarHBondContact CB-OG1 3.43Å; N143-T145 PolarHBondContact O-N 3.41Å; N143-D146 WeakPolarHBondContact CB-OD2 3.43Å; N143-D146 PolarHBondContact N-OD2 2.87Å; N143-D146 PolarHBondContact ND2-OD2 3.27Å; N143-D146 WeakPolarHBondContact O-CB 3.35Å; N143-D146 PolarHBondContact O-N 3.29Å; N143-E156 WeakPolarHBondContact OD1-CG 3.22Å |
| 144 | V | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -62.3 | -32.5 | 172.7 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | D146 L147 Y151 T153 E155 L157 L205 F207 | V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D146 PolarHBondContact O-N 3.13Å; V144-L147 WeakPolarHBondContact O-CB 3.3Å; V144-L147 PolarHBondContact O-N 2.92Å; V144-Y151 HydrophobicContact CG1-CD2 4.31Å; V144-T153 HydrophobicContact CB-CG2 3.5Å; V144-T153 VanDerWaalsContact CB-CG2 3.5Å; V144-T153 HydrophobicContact CG1-CG2 3.54Å; V144-T153 HydrophobicContact CG2-CG2 4.18Å; V144-E155 HydrophobicContact CG2-CB 4.07Å; V144-E155 WeakPolarHBondContact CG2-O 3.44Å; V144-E155 PolarHBondContact N-O 3.27Å; V144-L157 HydrophobicContact CB-CD2 4.28Å; V144-L157 HydrophobicContact CG2-CD2 3.66Å; V144-L205 HydrophobicContact CG2-CD2 4.41Å; V144-F207 HydrophobicContact CG1-CD1 4.21Å; V144-F207 HydrophobicContact CG1-CD2 4.36Å; V144-F207 HydrophobicContact CG1-CE1 3.69Å; V144-F207 HydrophobicContact CG1-CE2 3.9Å; V144-F207 HydrophobicContact CG1-CZ 3.56Å; V144-F207 HydrophobicContact CG2-CD1 4.18Å; V144-F207 HydrophobicContact CG2-CE1 4.43Å; V144-F207 HydrophobicContact CG2-CG 4.4Å |
| 145 | T | 97.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 69.9 Ų | 69.9 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -63.7 | -33.8 | 175.2 | 49 | 0 | 0 | 0 | 0 | 112.9 | N143 L147 G148 Y151 T153 | N143-T145 WeakPolarHBondContact CB-OG1 3.43Å; N143-T145 PolarHBondContact O-N 3.41Å; T145-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact O-N 3.16Å; T145-G148 PolarHBondContact O-N 3.2Å; T145-G148 VanDerWaalsContact O-N 3.09Å; T145-Y151 WeakPolarHBondContact CG2-O 3.41Å; T145-T153 VanDerWaalsContact CG2-O 3.26Å; T145-T153 WeakPolarHBondContact CG2-O 3.46Å |
| 146 | D | 97.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 75 Ų | 75 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -66.4 | -16.7 | 179.5 | -62.7 | -38.6 | 0 | 0 | 0 | 112.6 | L142 N143 V144 G148 | L142-D146 HydrophobicContact CB-CB 4.29Å; L142-D146 HydrophobicContact CD2-CB 4.29Å; N143-D146 WeakPolarHBondContact CB-OD2 3.43Å; N143-D146 PolarHBondContact N-OD2 2.87Å; N143-D146 PolarHBondContact ND2-OD2 3.27Å; N143-D146 WeakPolarHBondContact O-CB 3.35Å; N143-D146 PolarHBondContact O-N 3.29Å; V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D146 PolarHBondContact O-N 3.13Å; D146-G148 PolarHBondContact O-N 2.84Å |
| 147 | L | 96 | Very high | 96.8 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -72.2 | -15.5 | 175.2 | -57.7 | 178.1 | 0 | 0 | 0 | 112.9 | L142 V144 T145 L149 L157 F159 L217 | L142-L147 HydrophobicContact CD1-CD2 4.15Å; V144-L147 WeakPolarHBondContact O-CB 3.3Å; V144-L147 PolarHBondContact O-N 2.92Å; T145-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact O-N 3.16Å; L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 HydrophobicContact CB-CD1 4.07Å; L147-L149 HydrophobicContact CB-CG 3.95Å; L147-L149 HydrophobicContact CD1-CD1 4.16Å; L147-L149 PolarHBondContact O-N 3.41Å; L147-L157 HydrophobicContact CD1-CD1 4.24Å; L147-L157 HydrophobicContact CD1-CD2 3.82Å; L147-L157 HydrophobicContact CG-CD2 4.25Å; L147-F159 HydrophobicContact CD2-CD2 4.36Å; L147-L217 HydrophobicContact CD1-CD1 3.86Å |
| 148 | G | 96.5 | Very high | 96.8 | Very high | 68 Ų | 68 | 73.2 Ų | 73.2 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 24.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T145 D146 G150 | T145-G148 PolarHBondContact O-N 3.2Å; T145-G148 VanDerWaalsContact O-N 3.09Å; D146-G148 PolarHBondContact O-N 2.84Å; G148-G150 VanDerWaalsContact C-N 3.33Å |
| 149 | L | 96 | Very high | 96.9 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -87.9 | 1 | -179.2 | -61.5 | 176.8 | 0 | 0 | 0 | 113.5 | L147 Y151 L217 | L147-L149 VanDerWaalsContact C-N 3.25Å; L147-L149 HydrophobicContact CB-CD1 4.07Å; L147-L149 HydrophobicContact CB-CG 3.95Å; L147-L149 HydrophobicContact CD1-CD1 4.16Å; L147-L149 PolarHBondContact O-N 3.41Å; L149-Y151 HydrophobicContact CB-CD2 3.65Å; L149-Y151 HydrophobicContact CB-CE2 3.59Å; L149-Y151 HydrophobicContact CD1-CE2 4.15Å; L149-L217 HydrophobicContact CD1-CD1 4.24Å; L149-L217 HydrophobicContact CD1-CD2 3.69Å |
| 150 | G | 95.6 | Very high | 96.9 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 76% | 0.763 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 84.7 | 12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G148 | G148-G150 VanDerWaalsContact C-N 3.33Š|
| 151 | Y | 95.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 76 Ų | 76 | 26% | 0.259 | 40% | 0.398 | S | S | . | . | trans | -85.5 | 135.4 | 173.8 | -59 | -71.7 | 0 | 0 | 0 | 111 | V144 T145 L149 F207 H215 L217 | V144-Y151 HydrophobicContact CG1-CD2 4.31Å; T145-Y151 WeakPolarHBondContact CG2-O 3.41Å; L149-Y151 HydrophobicContact CB-CD2 3.65Å; L149-Y151 HydrophobicContact CB-CE2 3.59Å; L149-Y151 HydrophobicContact CD1-CE2 4.15Å; Y151-F207 AromaticContact CD1-CE2 3.9Å; Y151-F207 HydrophobicContact CD1-CE2 3.9Å; Y151-F207 AromaticContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD2-CE2 4.38Å; Y151-F207 AromaticContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CE1-CZ 4.07Å; Y151-F207 AromaticContact CE2-CZ 3.97Å; Y151-F207 HydrophobicContact CE2-CZ 3.97Å; Y151-F207 AromaticContact CG-CE2 3.81Å; Y151-F207 HydrophobicContact CG-CE2 3.81Å; Y151-F207 AromaticContact CG-CZ 3.49Å; Y151-F207 HydrophobicContact CG-CZ 3.49Å; Y151-F207 VanDerWaalsContact CG-CZ 3.49Å; Y151-H215 HydrophobicContact CD1-CB 4.44Å; Y151-H215 AromaticContact CD1-CG 3.95Å; Y151-H215 HydrophobicContact CE1-CB 3.99Å; Y151-H215 AromaticContact CE1-CE1 3.96Å; Y151-H215 AromaticContact CE1-CG 3.6Å; Y151-H215 AromaticContact CE1-ND1 3.52Å; Y151-L217 HydrophobicContact CE2-CD2 3.92Å | ||
| 152 | E | 96.2 | Very high | 96.9 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 63% | 0.631 | 37% | 0.373 | S | S | * | . | trans | -102.4 | 97.7 | 172.4 | -64.9 | -178 | 174.2 | 0 | 0 | 108.3 | D209 D210 | E152-D209 WeakPolarHBondContact O-CB 3.3Å; E152-D210 PolarHBondContact O-N 3.32Å | ||
| 153 | T | 97.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | trans | -152.3 | 158.2 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | V144 T145 E155 F207 L208 | V144-T153 HydrophobicContact CB-CG2 3.5Å; V144-T153 VanDerWaalsContact CB-CG2 3.5Å; V144-T153 HydrophobicContact CG1-CG2 3.54Å; V144-T153 HydrophobicContact CG2-CG2 4.18Å; T145-T153 VanDerWaalsContact CG2-O 3.26Å; T145-T153 WeakPolarHBondContact CG2-O 3.46Å; T153-E155 HydrophobicContact CG2-CB 4.44Å; T153-E155 PolarHBondContact OG1-N 2.96Å; T153-F207 HydrophobicContact CG2-CD2 3.86Å; T153-F207 HydrophobicContact CG2-CE2 3.94Å; T153-L208 PolarHBondContact OG1-O 2.99Å | ||
| 154 | K | 95.8 | Very high | 96.5 | Very high | 175 Ų | 175 | 69.8 Ų | 69.8 | 76% | 0.761 | 39% | 0.385 | S | S | * | . | trans | -98.5 | 7 | 173.9 | -59.3 | 175.7 | -170.8 | 169.5 | 0 | 112.7 | ||||
| 155 | E | 96.3 | Very high | 96.2 | Very high | 70 Ų | 70 | 71.9 Ų | 71.9 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | trans | -72.5 | 147.9 | 177.6 | -71.3 | -159.7 | -150.1 | 0 | 0 | 112.6 | V144 T153 F207 L208 | V144-E155 HydrophobicContact CG2-CB 4.07Å; V144-E155 WeakPolarHBondContact CG2-O 3.44Å; V144-E155 PolarHBondContact N-O 3.27Å; T153-E155 HydrophobicContact CG2-CB 4.44Å; T153-E155 PolarHBondContact OG1-N 2.96Å; E155-F207 HydrophobicContact CB-CB 4.01Å; E155-F207 HydrophobicContact CG-CB 4.02Å; E155-F207 VanDerWaalsContact OE1-CA 3.29Å; E155-F207 WeakPolarHBondContact OE1-CA 3.24Å; E155-F207 WeakPolarHBondContact OE1-CB 3.46Å; E155-F207 VanDerWaalsContact OE2-CA 3.28Å; E155-F207 WeakPolarHBondContact OE2-CA 3.44Å; E155-F207 WeakPolarHBondContact OE2-CB 3.37Å; E155-L208 PolarHBondContact OE1-N 3.25Å | ||
| 156 | E | 96.3 | Very high | 95.9 | Very high | 141 Ų | 141 | 69.4 Ų | 69.4 | 66% | 0.659 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 153.5 | -178.1 | -69.6 | -178.6 | -174.2 | 0 | 0 | 111 | L142 N143 | L142-E156 CarbonylContact O-C 3.59Å; L142-E156 WeakPolarHBondContact O-CA 3.45Å; N143-E156 WeakPolarHBondContact OD1-CG 3.22Å |
| 157 | L | 96.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 69.9 Ų | 69.9 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 163.1 | 174.4 | 72.3 | 143.2 | 0 | 0 | 0 | 113 | L142 V144 L147 F159 L205 | L142-L157 PolarHBondContact N-O 3.26Å; L142-L157 PolarHBondContact O-N 3.2Å; L142-L157 VanDerWaalsContact O-O 3.1Å; V144-L157 HydrophobicContact CB-CD2 4.28Å; V144-L157 HydrophobicContact CG2-CD2 3.66Å; L147-L157 HydrophobicContact CD1-CD1 4.24Å; L147-L157 HydrophobicContact CD1-CD2 3.82Å; L147-L157 HydrophobicContact CG-CD2 4.25Å; L157-F159 HydrophobicContact CD1-CB 4.23Å; L157-L205 HydrophobicContact CB-CD2 3.68Å; L157-L205 HydrophobicContact CD1-CD2 4.11Å; L157-L205 HydrophobicContact CD2-CD2 4.28Å; L157-L205 HydrophobicContact CG-CD2 4.23Å |
| 158 | I | 97.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 72.8 Ų | 72.8 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 102.5 | 167.6 | -56 | -178.8 | 0 | 0 | 0 | 108 | A139 I140 H141 R160 | A139-I158 HydrophobicContact CB-CG2 4.02Å; I140-I158 CarbonylContact O-C 3.54Å; I140-I158 WeakPolarHBondContact O-CA 3.32Å; H141-I158 WeakPolarHBondContact NE2-CD1 3.38Å; I158-R160 HydrophobicContact CG2-CG 4.36Å |
| 159 | F | 98.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 71.9 Ų | 71.9 | 24% | 0.237 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115 | 174.2 | 179.5 | -100 | 0 | 0 | 0 | 110.6 | I140 L142 L147 L157 Y161 H220 | I140-F159 HydrophobicContact CD1-CD1 4Å; I140-F159 HydrophobicContact CG1-CB 4.13Å; I140-F159 HydrophobicContact CG1-CD1 3.98Å; I140-F159 VanDerWaalsContact CG1-O 3.29Å; I140-F159 WeakPolarHBondContact CG1-O 3.45Å; I140-F159 PolarHBondContact N-O 2.99Å; I140-F159 PolarHBondContact O-N 3.46Å; L142-F159 HydrophobicContact CD1-CB 3.98Å; L142-F159 HydrophobicContact CD1-CG 4.46Å; L147-F159 HydrophobicContact CD2-CD2 4.36Å; L157-F159 HydrophobicContact CD1-CB 4.23Å; F159-Y161 AromaticContact CD1-CD1 3.97Å; F159-Y161 HydrophobicContact CD1-CD1 3.97Å; F159-Y161 AromaticContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CG 4.13Å; F159-H220 WeakPolarHBondContact CE2-O 3.48Å |
| 160 | R | 98.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 70 Ų | 70 | 33% | 0.328 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.3 | 169.7 | -51.3 | -171.7 | -176.3 | 132.6 | -2.7 | 112.5 | L137 T138 A139 I158 D202 S221 A222 | L137-R160 HydrophobicContact CD1-CB 3.97Å; L137-R160 HydrophobicContact CG-CB 4.37Å; T138-R160 CarbonylContact O-C 3.5Å; T138-R160 WeakPolarHBondContact O-CA 3.42Å; A139-R160 HydrophobicContact CB-CG 3.93Å; I158-R160 HydrophobicContact CG2-CG 4.36Å; R160-D202 WeakPolarHBondContact CD-OD2 3.36Å; R160-D202 IonicContact CZ-OD2 2.89Å; R160-D202 IonicContact NE-OD2 2.81Å; R160-D202 IonicContact NH1-OD1 3.51Å; R160-D202 PolarHBondContact NH1-OD1 3.42Å; R160-D202 IonicContact NH1-OD2 3.24Å; R160-D202 PolarHBondContact NH1-OD2 2.81Å; R160-S221 WeakPolarHBondContact CA-OG 3.49Å; R160-S221 WeakPolarHBondContact CB-OG 2.9Å; R160-S221 PolarHBondContact N-OG 3.09Å; R160-S221 PolarHBondContact O-OG 3.18Å; R160-S221 VanDerWaalsContact O-OG 3.07Å; R160-A222 WeakPolarHBondContact CB-O 3.37Å; R160-A222 PolarHBondContact O-N 2.96Å |
| 161 | Y | 98.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 70.1 Ų | 70.1 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 158.6 | 178.4 | 64.7 | -85 | 0 | 0 | 0 | 112.7 | T138 I140 F159 | T138-Y161 HydrophobicContact CG2-CE1 3.91Å; T138-Y161 HydrophobicContact CG2-CE2 4.41Å; T138-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T138-Y161 PolarHBondContact N-O 2.83Å; T138-Y161 PolarHBondContact O-N 2.84Å; I140-Y161 HydrophobicContact CD1-CE1 4.14Å; I140-Y161 HydrophobicContact CG1-CD1 4.48Å; I140-Y161 HydrophobicContact CG1-CE1 4.19Å; I140-Y161 HydrophobicContact CG2-CE1 4.03Å; F159-Y161 AromaticContact CD1-CD1 3.97Å; F159-Y161 HydrophobicContact CD1-CD1 3.97Å; F159-Y161 AromaticContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CD1 3.86Å; F159-Y161 HydrophobicContact CE1-CG 4.13Å |
| 162 | C | 97.1 | Very high | 90.7 | Very high | 22 Ų | 22 | 72 Ų | 72 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 110.8 | C225 | C162-C225 WeakPolarHBondContact CA-SG 3.3Å; C162-C225 HydrophobicContact CB-CB 3.74Å; C162-C225 WeakPolarHBondContact CB-SG 3.37Å; C162-C225 WeakPolarHBondContact SG-CA 3.43Å; C162-C225 WeakPolarHBondContact SG-CB 3.43Å; C162-C225 CovalentContact SG-SG 2.03Å; C162-C225 PolarHBondContact SG-SG 2.9Å |
| 163 | S | 94.9 | Very high | 90.3 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.7 | 175.5 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | V136 C196 | V136-S163 VanDerWaalsContact CG2-O 3.29Å; V136-S163 WeakPolarHBondContact CG2-O 3.35Å; V136-S163 PolarHBondContact N-O 2.89Å; V136-S163 PolarHBondContact O-N 3.33Å; S163-C196 PolarHBondContact O-SG 2.87Å |
| 164 | G | 92.4 | Very high | 89.9 | Confident | 44 Ų | 44 | 73 Ų | 73 | 45% | 0.454 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 120.9 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 165 | S | 90.2 | Very high | 89.6 | Confident | 44 Ų | 44 | 69.6 Ų | 69.6 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 156.3 | -179.5 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | R133 G134 C135 D167 | R133-S165 PolarHBondContact O-N 3.38Å; G134-S165 CarbonylContact C-O 3.57Å; G134-S165 WeakPolarHBondContact CA-O 3.29Å; C135-S165 PolarHBondContact N-O 2.94Å; C135-S165 VanDerWaalsContact N-O 3.11Å; S165-D167 VanDerWaalsContact CB-OD2 3.24Å; S165-D167 WeakPolarHBondContact CB-OD2 3.49Å; S165-D167 PolarHBondContact OG-OD2 3.49Å |
| 166 | C | 91 | Very high | 89.2 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 10% | 0.095 | 39% | 0.388 | C | S | . | . | trans | -115.2 | 16.7 | 180 | -79.9 | 0 | 0 | 0 | 0 | 113.3 | A168 A169 A194 C196 C227 | C166-A168 PolarHBondContact O-N 2.99Å; C166-A168 VanDerWaalsContact O-N 3.1Å; C166-A169 PolarHBondContact O-N 3.09Å; C166-A194 HydrophobicContact CB-CB 4.37Å; C166-A194 WeakPolarHBondContact CB-O 3.3Å; C166-C196 PolarHBondContact SG-N 2.81Å; C166-C196 VanDerWaalsContact SG-N 3.45Å; C166-C227 WeakPolarHBondContact CA-SG 3.38Å; C166-C227 HydrophobicContact CB-CB 3.65Å; C166-C227 WeakPolarHBondContact CB-SG 3.33Å; C166-C227 WeakPolarHBondContact SG-CA 3.38Å; C166-C227 WeakPolarHBondContact SG-CB 3.26Å; C166-C227 CovalentContact SG-SG 2.03Å; C166-C227 PolarHBondContact SG-SG 3.07Å | ||
| 167 | D | 82.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.5 | -176.8 | -47.5 | -50.1 | 0 | 0 | 0 | 113.7 | S165 E170 | S165-D167 VanDerWaalsContact CB-OD2 3.24Å; S165-D167 WeakPolarHBondContact CB-OD2 3.49Å; S165-D167 PolarHBondContact OG-OD2 3.49Å; D167-E170 WeakPolarHBondContact O-CG 3.25Å |
| 168 | A | 68.9 | Low | 88.4 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 87% | 0.868 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -19.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C166 E170 | C166-A168 PolarHBondContact O-N 2.99Å; C166-A168 VanDerWaalsContact O-N 3.1Å; A168-E170 VanDerWaalsContact C-N 3.3Å; A168-E170 PolarHBondContact O-N 2.84Å |
| 169 | A | 63.7 | Low | 87.9 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | trans | -96.9 | 38.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | C166 T171 C227 | C166-A169 PolarHBondContact O-N 3.09Å; A169-T171 PolarHBondContact O-N 3.01Å; A169-C227 HydrophobicContact CB-CB 3.72Å | ||
| 170 | E | 73.8 | Confident | 87.5 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | trans | -72.5 | 109.3 | -173.2 | -61.7 | -179.4 | 171.7 | 0 | 0 | 111.2 | D167 A168 D174 K175 K178 | D167-E170 WeakPolarHBondContact O-CG 3.25Å; A168-E170 VanDerWaalsContact C-N 3.3Å; A168-E170 PolarHBondContact O-N 2.84Å; E170-D174 HydrophobicContact CB-CB 4.27Å; E170-K175 HydrophobicContact CB-CG 3.96Å; E170-K175 WeakPolarHBondContact O-CE 3.33Å; E170-K178 WeakPolarHBondContact OE1-CD 2.95Å; E170-K178 IonicContact OE1-NZ 3.82Å; E170-K178 PolarHBondContact OE1-NZ 3.22Å | ||
| 171 | T | 87.4 | Confident | 87 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.46 | 38% | 0.383 | S | S | . | . | trans | -66.4 | 167.8 | 166 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | A169 Y173 D174 K175 | A169-T171 PolarHBondContact O-N 3.01Å; T171-Y173 PolarHBondContact O-N 2.9Å; T171-Y173 PolarHBondContact OG1-N 3.11Å; T171-D174 WeakPolarHBondContact CB-OD2 3.48Å; T171-D174 PolarHBondContact N-OD2 2.03Å; T171-D174 PolarHBondContact O-N 2.04Å; T171-D174 VanDerWaalsContact O-N 3.17Å; T171-D174 PolarHBondContact OG1-N 3.1Å; T171-D174 PolarHBondContact OG1-OD2 3.33Å; T171-K175 WeakPolarHBondContact O-CG 3Å; T171-K175 PolarHBondContact O-N 2.03Å | ||
| 172 | T | 91.2 | Very high | 86.5 | Confident | 107 Ų | 107 | 73.3 Ų | 73.3 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.4 | -36.7 | 172.8 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | K175 I176 | T172-K175 PolarHBondContact O-N 3.37Å; T172-I176 HydrophobicContact CG2-CD1 4.12Å; T172-I176 VanDerWaalsContact O-CG1 3.28Å; T172-I176 WeakPolarHBondContact O-CG1 3.01Å; T172-I176 PolarHBondContact O-N 3.45Å |
| 173 | Y | 89 | Confident | 86.2 | Confident | 140 Ų | 140 | 77 Ų | 77 | 55% | 0.549 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 176.2 | 175.7 | -99.7 | 0 | 0 | 0 | 111.7 | T171 K175 I176 L177 | T171-Y173 PolarHBondContact O-N 2.9Å; T171-Y173 PolarHBondContact OG1-N 3.11Å; Y173-K175 VanDerWaalsContact C-N 3.31Å; Y173-K175 PolarHBondContact O-N 3.28Å; Y173-I176 WeakPolarHBondContact O-CB 3.37Å; Y173-I176 PolarHBondContact O-N 3.05Å; Y173-I176 VanDerWaalsContact O-N 3.12Å; Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD1-CG 4.3Å; Y173-L177 HydrophobicContact CE1-CD1 3.23Å; Y173-L177 HydrophobicContact CE1-CG 3.91Å; Y173-L177 HydrophobicContact CE2-CD1 4.4Å; Y173-L177 HydrophobicContact CE2-CD2 4.43Å; Y173-L177 HydrophobicContact CE2-CG 4.32Å; Y173-L177 PolarHBondContact O-N 3.01Å |
| 174 | D | 88.7 | Confident | 85.8 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 13% | 0.128 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 178.9 | -58.5 | -56 | 0 | 0 | 0 | 112 | E170 T171 I176 L177 K178 | E170-D174 HydrophobicContact CB-CB 4.27Å; T171-D174 WeakPolarHBondContact CB-OD2 3.48Å; T171-D174 PolarHBondContact N-OD2 2.03Å; T171-D174 PolarHBondContact O-N 2.04Å; T171-D174 VanDerWaalsContact O-N 3.17Å; T171-D174 PolarHBondContact OG1-N 3.1Å; T171-D174 PolarHBondContact OG1-OD2 3.33Å; D174-I176 VanDerWaalsContact C-N 3.35Å; D174-I176 PolarHBondContact O-N 3.44Å; D174-L177 PolarHBondContact O-N 3.14Å; D174-K178 VanDerWaalsContact O-CB 3.24Å; D174-K178 WeakPolarHBondContact O-CB 3.4Å; D174-K178 PolarHBondContact O-N 3.11Å |
| 175 | K | 88.3 | Confident | 85.4 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 46% | 0.457 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.1 | -68.4 | 175.7 | -173.9 | 175.6 | 0 | 111.6 | E170 T171 T172 Y173 K178 N179 | E170-K175 HydrophobicContact CB-CG 3.96Å; E170-K175 WeakPolarHBondContact O-CE 3.33Å; T171-K175 WeakPolarHBondContact O-CG 3Å; T171-K175 PolarHBondContact O-N 2.03Å; T172-K175 PolarHBondContact O-N 3.37Å; Y173-K175 VanDerWaalsContact C-N 3.31Å; Y173-K175 PolarHBondContact O-N 3.28Å; K175-K178 PolarHBondContact O-N 3.44Å; K175-N179 WeakPolarHBondContact O-CB 3.42Å; K175-N179 PolarHBondContact O-N 3.45Å; K175-N179 PolarHBondContact O-ND2 2.73Å |
| 176 | I | 88.8 | Confident | 85.1 | Confident | 88 Ų | 88 | 92.5 Ų | 92.5 | 45% | 0.451 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 176.1 | -68.5 | 163.7 | 0 | 0 | 0 | 109.7 | T172 Y173 D174 K178 N179 L180 | T172-I176 HydrophobicContact CG2-CD1 4.12Å; T172-I176 VanDerWaalsContact O-CG1 3.28Å; T172-I176 WeakPolarHBondContact O-CG1 3.01Å; T172-I176 PolarHBondContact O-N 3.45Å; Y173-I176 WeakPolarHBondContact O-CB 3.37Å; Y173-I176 PolarHBondContact O-N 3.05Å; Y173-I176 VanDerWaalsContact O-N 3.12Å; D174-I176 VanDerWaalsContact C-N 3.35Å; D174-I176 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-K178 PolarHBondContact O-N 3.21Å; I176-N179 PolarHBondContact O-N 2.92Å; I176-L180 HydrophobicContact CG2-CD1 3.66Å; I176-L180 HydrophobicContact CG2-CG 4.1Å; I176-L180 WeakPolarHBondContact O-CB 2.97Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 2.77Å |
| 177 | L | 88.1 | Confident | 84.4 | Confident | 21 Ų | 21 | 99.5 Ų | 99.5 | 11% | 0.11 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 178.5 | -72.8 | -172.3 | 0 | 0 | 0 | 112.4 | Y173 D174 N179 L180 S181 L186 V191 | Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD1-CG 4.3Å; Y173-L177 HydrophobicContact CE1-CD1 3.23Å; Y173-L177 HydrophobicContact CE1-CG 3.91Å; Y173-L177 HydrophobicContact CE2-CD1 4.4Å; Y173-L177 HydrophobicContact CE2-CD2 4.43Å; Y173-L177 HydrophobicContact CE2-CG 4.32Å; Y173-L177 PolarHBondContact O-N 3.01Å; D174-L177 PolarHBondContact O-N 3.14Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.02Å; L177-L180 PolarHBondContact O-N 2.91Å; L177-S181 WeakPolarHBondContact O-CB 3.42Å; L177-S181 PolarHBondContact O-N 2.84Å; L177-L186 HydrophobicContact CD2-CD1 4.31Å; L177-V191 HydrophobicContact CD1-CG1 3.62Å; L177-V191 HydrophobicContact CD2-CG1 3.68Å; L177-V191 HydrophobicContact CG-CG1 4.24Å |
| 178 | K | 86.8 | Confident | 83.8 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.8 | -173.5 | 171.8 | 179.7 | 171.6 | 0 | 111.8 | E170 D174 K175 I176 R182 | E170-K178 WeakPolarHBondContact OE1-CD 2.95Å; E170-K178 IonicContact OE1-NZ 3.82Å; E170-K178 PolarHBondContact OE1-NZ 3.22Å; D174-K178 VanDerWaalsContact O-CB 3.24Å; D174-K178 WeakPolarHBondContact O-CB 3.4Å; D174-K178 PolarHBondContact O-N 3.11Å; K175-K178 PolarHBondContact O-N 3.44Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-K178 PolarHBondContact O-N 3.21Å; K178-R182 VanDerWaalsContact O-CB 3.29Å; K178-R182 WeakPolarHBondContact O-CB 3.06Å; K178-R182 PolarHBondContact O-N 2.86Å |
| 179 | N | 89.2 | Confident | 83.7 | Confident | 89 Ų | 89 | 98 Ų | 98 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 176.4 | -73.8 | -26.3 | 0 | 0 | 0 | 112.4 | K175 I176 L177 R182 N183 | K175-N179 WeakPolarHBondContact O-CB 3.42Å; K175-N179 PolarHBondContact O-N 3.45Å; K175-N179 PolarHBondContact O-ND2 2.73Å; I176-N179 PolarHBondContact O-N 2.92Å; L177-N179 VanDerWaalsContact C-N 3.33Å; L177-N179 PolarHBondContact O-N 3.02Å; N179-R182 PolarHBondContact O-N 2.94Å; N179-N183 VanDerWaalsContact O-CB 3.31Å; N179-N183 WeakPolarHBondContact O-CB 3.05Å; N179-N183 PolarHBondContact O-N 3.07Å; N179-N183 PolarHBondContact O-ND2 2.98Å |
| 180 | L | 89.4 | Confident | 84.1 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 30% | 0.298 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | -179.7 | -66.9 | 175.2 | 0 | 0 | 0 | 112.3 | I176 L177 N183 R184 R185 L186 | I176-L180 HydrophobicContact CG2-CD1 3.66Å; I176-L180 HydrophobicContact CG2-CG 4.1Å; I176-L180 WeakPolarHBondContact O-CB 2.97Å; I176-L180 VanDerWaalsContact O-CG 3.3Å; I176-L180 WeakPolarHBondContact O-CG 3.39Å; I176-L180 PolarHBondContact O-N 2.77Å; L177-L180 PolarHBondContact O-N 2.91Å; L180-N183 PolarHBondContact O-N 3.05Å; L180-R184 PolarHBondContact O-N 3Å; L180-R185 HydrophobicContact CD2-CB 4.09Å; L180-R185 PolarHBondContact O-N 2.99Å; L180-L186 HydrophobicContact CB-CD1 3.87Å; L180-L186 HydrophobicContact CB-CD2 3.98Å; L180-L186 HydrophobicContact CB-CG 3.62Å; L180-L186 HydrophobicContact CD1-CD2 4.08Å |
| 181 | S | 87.9 | Confident | 84.2 | Confident | 36 Ų | 36 | 104.4 Ų | 104.4 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 171.2 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L177 N183 R184 D189 | L177-S181 WeakPolarHBondContact O-CB 3.42Å; L177-S181 PolarHBondContact O-N 2.84Å; S181-N183 VanDerWaalsContact C-N 3.27Å; S181-N183 PolarHBondContact O-N 3.3Å; S181-R184 PolarHBondContact O-N 3.45Å; S181-D189 PolarHBondContact OG-OD1 3.49Å |
| 182 | R | 87.3 | Confident | 83.6 | Confident | 206 Ų | 206 | 103.7 Ų | 103.7 | 78% | 0.777 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.5 | -39.4 | 175.9 | -175.4 | 178.9 | -179.7 | -177.9 | 0.5 | 112.8 | K178 N179 R184 | K178-R182 VanDerWaalsContact O-CB 3.29Å; K178-R182 WeakPolarHBondContact O-CB 3.06Å; K178-R182 PolarHBondContact O-N 2.86Å; N179-R182 PolarHBondContact O-N 2.94Å; R182-R184 PolarHBondContact O-N 3.35Å |
| 183 | N | 89.8 | Confident | 83.2 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.8 | 179.5 | -66.1 | -17.9 | 0 | 0 | 0 | 113.4 | N179 L180 S181 R185 | N179-N183 VanDerWaalsContact O-CB 3.31Å; N179-N183 WeakPolarHBondContact O-CB 3.05Å; N179-N183 PolarHBondContact O-N 3.07Å; N179-N183 PolarHBondContact O-ND2 2.98Å; L180-N183 PolarHBondContact O-N 3.05Å; S181-N183 VanDerWaalsContact C-N 3.27Å; S181-N183 PolarHBondContact O-N 3.3Å; N183-R185 HydrophobicContact CB-CG 4.13Å; N183-R185 PolarHBondContact O-N 3.49Å; N183-R185 VanDerWaalsContact O-N 3.13Å |
| 184 | R | 86.4 | Confident | 83.2 | Confident | 221 Ų | 221 | 99.1 Ų | 99.1 | 83% | 0.834 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 32.7 | -176.4 | -57.6 | -174.3 | -178.6 | -173 | 0.2 | 113.5 | L180 S181 R182 | L180-R184 PolarHBondContact O-N 3Å; S181-R184 PolarHBondContact O-N 3.45Å; R182-R184 PolarHBondContact O-N 3.35Å |
| 185 | R | 85.8 | Confident | 83.4 | Confident | 196 Ų | 196 | 101.4 Ų | 101.4 | 74% | 0.74 | 51% | 0.507 | S | S | * | . | trans | -91.1 | -13.3 | 176.3 | -69.1 | -167.7 | 177.2 | -156.1 | -0.3 | 112.6 | L180 N183 | L180-R185 HydrophobicContact CD2-CB 4.09Å; L180-R185 PolarHBondContact O-N 2.99Å; N183-R185 HydrophobicContact CB-CG 4.13Å; N183-R185 PolarHBondContact O-N 3.49Å; N183-R185 VanDerWaalsContact O-N 3.13Å | ||
| 186 | L | 82.4 | Confident | 83.7 | Confident | 42 Ų | 42 | 97.4 Ų | 97.4 | 22% | 0.22 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -86.8 | 128.7 | 169.5 | -63 | 174.3 | 0 | 0 | 0 | 108.9 | L177 L180 S188 V191 | L177-L186 HydrophobicContact CD2-CD1 4.31Å; L180-L186 HydrophobicContact CB-CD1 3.87Å; L180-L186 HydrophobicContact CB-CD2 3.98Å; L180-L186 HydrophobicContact CB-CG 3.62Å; L180-L186 HydrophobicContact CD1-CD2 4.08Å; L186-S188 PolarHBondContact O-N 2.98Å; L186-V191 HydrophobicContact CD1-CB 4.27Å; L186-V191 HydrophobicContact CD1-CG2 3.83Å; L186-V191 HydrophobicContact CG-CG2 4.49Å |
| 187 | V | 75.9 | Confident | 84.1 | Confident | 160 Ų | 160 | 100.3 Ų | 100.3 | 97% | 0.97 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -63.6 | -20.5 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 188 | S | 71.9 | Confident | 84.5 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | trans | -134.5 | 127.1 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | L186 K190 V191 | L186-S188 PolarHBondContact O-N 2.98Å; S188-K190 PolarHBondContact O-N 2.8Å; S188-K190 WeakPolarHBondContact OG-CB 3.31Å; S188-K190 PolarHBondContact OG-N 3.23Å; S188-K190 VanDerWaalsContact OG-N 3.14Å; S188-V191 WeakPolarHBondContact O-CG2 3.33Å | ||
| 189 | D | 67.1 | Low | 85 | Confident | 120 Ų | 120 | 99 Ų | 99 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -72.2 | -2.4 | 168 | -80.6 | -36.6 | 0 | 0 | 0 | 112.5 | S181 V191 | S181-D189 PolarHBondContact OG-OD1 3.49Å; D189-V191 PolarHBondContact O-N 3.5Å |
| 190 | K | 70.6 | Confident | 85.5 | Confident | 191 Ų | 191 | 95.8 Ų | 95.8 | 83% | 0.83 | 49% | 0.485 | S | S | * | . | trans | -86.2 | 26.5 | 175.9 | -51.7 | -177.6 | -180 | -177.8 | 0 | 113 | S188 G192 | S188-K190 PolarHBondContact O-N 2.8Å; S188-K190 WeakPolarHBondContact OG-CB 3.31Å; S188-K190 PolarHBondContact OG-N 3.23Å; S188-K190 VanDerWaalsContact OG-N 3.14Å; K190-G192 PolarHBondContact O-N 3.04Å | ||
| 191 | V | 75.8 | Confident | 85.9 | Confident | 53 Ų | 53 | 97.1 Ų | 97.1 | 32% | 0.321 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -73 | 125.9 | 171 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | L177 L186 S188 D189 Q193 | L177-V191 HydrophobicContact CD1-CG1 3.62Å; L177-V191 HydrophobicContact CD2-CG1 3.68Å; L177-V191 HydrophobicContact CG-CG1 4.24Å; L186-V191 HydrophobicContact CD1-CB 4.27Å; L186-V191 HydrophobicContact CD1-CG2 3.83Å; L186-V191 HydrophobicContact CG-CG2 4.49Å; S188-V191 WeakPolarHBondContact O-CG2 3.33Å; D189-V191 PolarHBondContact O-N 3.5Å; V191-Q193 PolarHBondContact O-N 2.9Å |
| 192 | G | 75.8 | Confident | 86.4 | Confident | 59 Ų | 59 | 96.6 Ų | 96.6 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 119.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K190 | K190-G192 PolarHBondContact O-N 3.04Š|
| 193 | Q | 83.4 | Confident | 86.9 | Confident | 131 Ų | 131 | 92.6 Ų | 92.6 | 61% | 0.612 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 156.2 | 166.3 | -67.1 | 177.7 | -3.2 | 0 | 0 | 109.4 | V191 C195 | V191-Q193 PolarHBondContact O-N 2.9Å; Q193-C195 PolarHBondContact O-N 2.81Å; Q193-C195 PolarHBondContact O-SG 2.87Å |
| 194 | A | 89.1 | Confident | 87.3 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 17% | 0.165 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 130.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | C166 C227 I228 | C166-A194 HydrophobicContact CB-CB 4.37Å; C166-A194 WeakPolarHBondContact CB-O 3.3Å; A194-C227 HydrophobicContact CB-CB 4.31Å; A194-I228 CarbonylContact C-O 3.51Å; A194-I228 WeakPolarHBondContact CA-O 3.34Å |
| 195 | C | 91.7 | Very high | 87.8 | Confident | 73 Ų | 73 | 83 Ų | 83 | 49% | 0.493 | 44% | 0.442 | S | S | . | . | trans | -116.1 | 148.6 | -177.1 | -71.6 | 0 | 0 | 0 | 0 | 110.6 | Q193 R197 I228 | Q193-C195 PolarHBondContact O-N 2.81Å; Q193-C195 PolarHBondContact O-SG 2.87Å; C195-R197 HydrophobicContact CB-CG 4.23Å; C195-R197 PolarHBondContact O-N 3.42Å; C195-R197 VanDerWaalsContact O-N 3.09Å; C195-I228 PolarHBondContact N-O 2.75Å; C195-I228 PolarHBondContact O-N 2.85Å | ||
| 196 | C | 94.8 | Very high | 88.3 | Confident | 20 Ų | 20 | 77 Ų | 77 | 14% | 0.135 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 104.9 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | C135 S163 C166 | C135-C196 WeakPolarHBondContact CA-SG 3.35Å; C135-C196 HydrophobicContact CB-CB 3.71Å; C135-C196 WeakPolarHBondContact CB-SG 3.36Å; C135-C196 WeakPolarHBondContact SG-CA 3.5Å; C135-C196 WeakPolarHBondContact SG-CB 3.32Å; C135-C196 CovalentContact SG-SG 2.04Å; C135-C196 PolarHBondContact SG-SG 3.06Å; S163-C196 PolarHBondContact O-SG 2.87Å; C166-C196 PolarHBondContact SG-N 2.81Å; C166-C196 VanDerWaalsContact SG-N 3.45Å |
| 197 | R | 96.7 | Very high | 89 | Confident | 150 Ų | 150 | 75 Ų | 75 | 57% | 0.566 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160 | -175.4 | -67.4 | -72 | -73.8 | 159.2 | -4.2 | 111.7 | C195 T199 G226 I228 | C195-R197 HydrophobicContact CB-CG 4.23Å; C195-R197 PolarHBondContact O-N 3.42Å; C195-R197 VanDerWaalsContact O-N 3.09Å; R197-T199 PolarHBondContact O-N 2.97Å; R197-G226 PolarHBondContact N-O 2.87Å; R197-G226 PolarHBondContact O-N 3.39Å; R197-I228 HydrophobicContact CB-CD1 3.77Å; R197-I228 HydrophobicContact CB-CG1 3.78Å; R197-I228 HydrophobicContact CG-CD1 4.49Å; R197-I228 HydrophobicContact CG-CG1 4.27Å |
| 198 | P | 97.9 | Very high | 90 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 126.6 | 173.6 | -19.5 | 32.7 | 0 | 0 | 0 | 111.1 | F201 A222 R224 | P198-F201 HydrophobicContact CB-CD1 4.46Å; P198-F201 HydrophobicContact CB-CE1 3.98Å; P198-F201 HydrophobicContact CB-CZ 4.11Å; P198-F201 HydrophobicContact CG-CE1 4.27Å; P198-A222 HydrophobicContact CB-CB 3.82Å; P198-A222 HydrophobicContact CG-CB 3.82Å; P198-R224 CarbonylContact C-O 3.42Å; P198-R224 VanDerWaalsContact CA-O 3.32Å; P198-R224 WeakPolarHBondContact CA-O 3.48Å |
| 199 | T | 97.2 | Very high | 91.1 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -13.6 | 171.3 | 54.7 | 0 | 0 | 0 | 0 | 112 | R197 R224 I228 | R197-T199 PolarHBondContact O-N 2.97Å; T199-R224 PolarHBondContact N-O 2.96Å; T199-R224 PolarHBondContact OG1-O 3.18Å; T199-I228 HydrophobicContact CG2-CG2 4.14Å |
| 200 | A | 98 | Very high | 92.5 | Very high | 20 Ų | 20 | 66.5 Ų | 66.5 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 152 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | K223 R224 | A200-K223 HydrophobicContact CB-CB 4.19Å; A200-K223 PolarHBondContact O-N 3.11Å; A200-R224 HydrophobicContact CB-CB 4.08Å; A200-R224 HydrophobicContact CB-CG 4.37Å; A200-R224 PolarHBondContact O-N 2.89Å |
| 201 | F | 98.5 | Very high | 93.7 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 37% | 0.373 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 154.5 | 176.8 | -62.9 | -86.8 | 0 | 0 | 0 | 110.4 | P198 K219 S221 K223 | P198-F201 HydrophobicContact CB-CD1 4.46Å; P198-F201 HydrophobicContact CB-CE1 3.98Å; P198-F201 HydrophobicContact CB-CZ 4.11Å; P198-F201 HydrophobicContact CG-CE1 4.27Å; F201-K219 HydrophobicContact CB-CB 4.35Å; F201-K219 HydrophobicContact CB-CG 4.38Å; F201-K219 HydrophobicContact CD1-CB 3.81Å; F201-K219 HydrophobicContact CD1-CG 4.5Å; F201-K219 WeakPolarHBondContact CD1-O 3.42Å; F201-K219 HydrophobicContact CD2-CB 4.14Å; F201-K219 HydrophobicContact CD2-CD 4.29Å; F201-K219 HydrophobicContact CD2-CG 3.97Å; F201-K219 HydrophobicContact CE1-CB 4.11Å; F201-K219 WeakPolarHBondContact CE1-O 3.5Å; F201-K219 HydrophobicContact CE2-CB 4.43Å; F201-K219 HydrophobicContact CE2-CD 4.33Å; F201-K219 HydrophobicContact CE2-CG 4.42Å; F201-K219 HydrophobicContact CG-CB 3.82Å; F201-K219 HydrophobicContact CG-CG 4.02Å; F201-K219 HydrophobicContact CZ-CB 4.41Å; F201-S221 CarbonylContact C-O 3.58Å; F201-S221 WeakPolarHBondContact CA-O 3.46Å; F201-S221 WeakPolarHBondContact CB-O 3.33Å; F201-S221 WeakPolarHBondContact CD1-O 3.19Å; F201-K223 VanDerWaalsContact C-CB 3.45Å; F201-K223 WeakPolarHBondContact O-CB 3.45Å |
| 202 | D | 97.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 67 Ų | 67 | 14% | 0.139 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 170.5 | 169.9 | -82.2 | -33.2 | 0 | 0 | 0 | 110.5 | R160 S221 K223 | R160-D202 WeakPolarHBondContact CD-OD2 3.36Å; R160-D202 IonicContact CZ-OD2 2.89Å; R160-D202 IonicContact NE-OD2 2.81Å; R160-D202 IonicContact NH1-OD1 3.51Å; R160-D202 PolarHBondContact NH1-OD1 3.42Å; R160-D202 IonicContact NH1-OD2 3.24Å; R160-D202 PolarHBondContact NH1-OD2 2.81Å; D202-S221 PolarHBondContact N-O 3.24Å; D202-K223 VanDerWaalsContact OD1-CB 3.25Å; D202-K223 WeakPolarHBondContact OD1-CB 3.37Å; D202-K223 WeakPolarHBondContact OD1-CG 3.38Å |
| 203 | D | 98.1 | Very high | 95.7 | Very high | 122 Ų | 122 | 67.6 Ų | 67.6 | 65% | 0.652 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 159.6 | -176.7 | -53.4 | -47.3 | 0 | 0 | 0 | 111.3 | L205 H220 | D203-L205 PolarHBondContact O-N 2.79Å; D203-H220 PolarHBondContact O-CE1 3.4Å |
| 204 | D | 97.8 | Very high | 96.3 | Very high | 79 Ų | 79 | 69.9 Ų | 69.9 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 132.7 | -179.6 | -72.4 | -6.2 | 0 | 0 | 0 | 110.5 | I216 L217 R218 | D204-I216 HydrophobicContact CB-CG2 3.84Å; D204-L217 WeakPolarHBondContact CA-O 3.17Å; D204-R218 WeakPolarHBondContact OD1-CA 3.46Å; D204-R218 WeakPolarHBondContact OD1-CG 3.31Å; D204-R218 WeakPolarHBondContact OD2-CD 3.29Å; D204-R218 WeakPolarHBondContact OD2-CG 3.29Å; D204-R218 IonicContact OD2-CZ 2.6Å; D204-R218 IonicContact OD2-NE 4Å; D204-R218 PolarHBondContact OD2-NE 2.92Å; D204-R218 IonicContact OD2-NH2 3.81Å |
| 205 | L | 97.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.5 | 175.7 | -179.2 | 75.5 | 0 | 0 | 0 | 108.8 | V144 L157 D203 F207 I216 L217 H220 | V144-L205 HydrophobicContact CG2-CD2 4.41Å; L157-L205 HydrophobicContact CB-CD2 3.68Å; L157-L205 HydrophobicContact CD1-CD2 4.11Å; L157-L205 HydrophobicContact CD2-CD2 4.28Å; L157-L205 HydrophobicContact CG-CD2 4.23Å; D203-L205 PolarHBondContact O-N 2.79Å; L205-F207 HydrophobicContact CD2-CD1 4.42Å; L205-I216 CarbonylContact O-C 3.53Å; L205-I216 WeakPolarHBondContact O-CA 3.08Å; L205-L217 HydrophobicContact CB-CB 4.42Å; L205-L217 HydrophobicContact CD2-CD1 4.44Å; L205-L217 PolarHBondContact N-O 2.97Å; L205-L217 VanDerWaalsContact N-O 3.11Å; L205-L217 PolarHBondContact O-N 3.07Å; L205-H220 VanDerWaalsContact CB-CE1 3.45Å; L205-H220 WeakPolarHBondContact CB-CE1 3.47Å |
| 206 | S | 96.9 | Very high | 96.9 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.2 | 174 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | H215 | S206-H215 VanDerWaalsContact CA-O 3.29Å; S206-H215 WeakPolarHBondContact CA-O 3.29Å |
| 207 | F | 96.7 | Very high | 97 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 159.4 | 178.7 | 62.6 | -96.2 | 0 | 0 | 0 | 111.2 | V144 Y151 T153 E155 L205 Y214 H215 L217 | V144-F207 HydrophobicContact CG1-CD1 4.21Å; V144-F207 HydrophobicContact CG1-CD2 4.36Å; V144-F207 HydrophobicContact CG1-CE1 3.69Å; V144-F207 HydrophobicContact CG1-CE2 3.9Å; V144-F207 HydrophobicContact CG1-CZ 3.56Å; V144-F207 HydrophobicContact CG2-CD1 4.18Å; V144-F207 HydrophobicContact CG2-CE1 4.43Å; V144-F207 HydrophobicContact CG2-CG 4.4Å; Y151-F207 AromaticContact CD1-CE2 3.9Å; Y151-F207 HydrophobicContact CD1-CE2 3.9Å; Y151-F207 AromaticContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD1-CZ 3.73Å; Y151-F207 HydrophobicContact CD2-CE2 4.38Å; Y151-F207 AromaticContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CD2-CZ 3.61Å; Y151-F207 HydrophobicContact CE1-CZ 4.07Å; Y151-F207 AromaticContact CE2-CZ 3.97Å; Y151-F207 HydrophobicContact CE2-CZ 3.97Å; Y151-F207 AromaticContact CG-CE2 3.81Å; Y151-F207 HydrophobicContact CG-CE2 3.81Å; Y151-F207 AromaticContact CG-CZ 3.49Å; Y151-F207 HydrophobicContact CG-CZ 3.49Å; Y151-F207 VanDerWaalsContact CG-CZ 3.49Å; T153-F207 HydrophobicContact CG2-CD2 3.86Å; T153-F207 HydrophobicContact CG2-CE2 3.94Å; E155-F207 HydrophobicContact CB-CB 4.01Å; E155-F207 HydrophobicContact CG-CB 4.02Å; E155-F207 VanDerWaalsContact OE1-CA 3.29Å; E155-F207 WeakPolarHBondContact OE1-CA 3.24Å; E155-F207 WeakPolarHBondContact OE1-CB 3.46Å; E155-F207 VanDerWaalsContact OE2-CA 3.28Å; E155-F207 WeakPolarHBondContact OE2-CA 3.44Å; E155-F207 WeakPolarHBondContact OE2-CB 3.37Å; L205-F207 HydrophobicContact CD2-CD1 4.42Å; F207-Y214 WeakPolarHBondContact O-CA 3.28Å; F207-H215 HydrophobicContact CD2-CB 4.29Å; F207-H215 HydrophobicContact CE1-CB 4.12Å; F207-H215 HydrophobicContact CE2-CB 3.75Å; F207-H215 AromaticContact CE2-CD2 3.95Å; F207-H215 HydrophobicContact CZ-CB 3.64Å; F207-H215 PolarHBondContact N-O 2.93Å; F207-H215 PolarHBondContact O-N 3.16Å; F207-L217 HydrophobicContact CE1-CD1 3.72Å; F207-L217 HydrophobicContact CE1-CG 3.77Å |
| 208 | L | 97.1 | Very high | 97.1 | Very high | 46 Ų | 46 | 72.8 Ų | 72.8 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133 | 173.4 | -162.1 | 71.8 | 0 | 0 | 0 | 109.6 | T153 E155 L212 Y214 | T153-L208 PolarHBondContact OG1-O 2.99Å; E155-L208 PolarHBondContact OE1-N 3.25Å; L208-L212 VanDerWaalsContact CD1-C 3.44Å; L208-L212 WeakPolarHBondContact CD1-O 3.46Å; L208-L212 HydrophobicContact CD2-CD2 3.74Å; L208-Y214 HydrophobicContact CB-CE1 4.41Å; L208-Y214 HydrophobicContact CD1-CD1 3.8Å; L208-Y214 HydrophobicContact CD1-CD2 3.67Å; L208-Y214 HydrophobicContact CD1-CE1 3.81Å; L208-Y214 HydrophobicContact CD1-CE2 3.68Å; L208-Y214 HydrophobicContact CD1-CG 3.74Å |
| 209 | D | 96.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 78.7 Ų | 78.7 | 11% | 0.107 | 39% | 0.394 | C | S | . | . | trans | -83.9 | 173 | 173.2 | 73.1 | 12.4 | 0 | 0 | 0 | 112.7 | E152 N211 L212 V213 H215 | E152-D209 WeakPolarHBondContact O-CB 3.3Å; D209-N211 PolarHBondContact O-N 2.77Å; D209-N211 VanDerWaalsContact O-N 3.15Å; D209-N211 VanDerWaalsContact OD1-C 3.24Å; D209-N211 VanDerWaalsContact OD1-CA 3.3Å; D209-N211 WeakPolarHBondContact OD1-CA 3.33Å; D209-N211 WeakPolarHBondContact OD1-CB 3.29Å; D209-N211 PolarHBondContact OD1-N 2.81Å; D209-L212 PolarHBondContact O-N 3.28Å; D209-L212 PolarHBondContact OD1-N 2.9Å; D209-L212 VanDerWaalsContact OD1-N 3.07Å; D209-V213 PolarHBondContact N-O 3.34Å; D209-V213 WeakPolarHBondContact OD1-CB 3.32Å; D209-V213 PolarHBondContact OD1-N 3.17Å; D209-H215 IonicContact OD2-CD2 3.58Å; D209-H215 IonicContact OD2-CE1 2.77Å; D209-H215 IonicContact OD2-NE2 3.57Å; D209-H215 PolarHBondContact OD2-NE2 3.39Å | ||
| 210 | D | 96.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 77.1 Ų | 77.1 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.4 | 178.9 | -73.2 | -19.9 | 0 | 0 | 0 | 112.6 | E152 L212 | E152-D210 PolarHBondContact O-N 3.32Å; D210-L212 VanDerWaalsContact C-N 3.32Å |
| 211 | N | 95.6 | Very high | 97.1 | Very high | 119 Ų | 119 | 76.3 Ų | 76.3 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 9.2 | 174.8 | -60 | -54.4 | 0 | 0 | 0 | 113 | D209 V213 | D209-N211 PolarHBondContact O-N 2.77Å; D209-N211 VanDerWaalsContact O-N 3.15Å; D209-N211 VanDerWaalsContact OD1-C 3.24Å; D209-N211 VanDerWaalsContact OD1-CA 3.3Å; D209-N211 WeakPolarHBondContact OD1-CA 3.33Å; D209-N211 WeakPolarHBondContact OD1-CB 3.29Å; D209-N211 PolarHBondContact OD1-N 2.81Å; N211-V213 VanDerWaalsContact C-N 3.26Å; N211-V213 HydrophobicContact CB-CG2 4.3Å; N211-V213 PolarHBondContact O-N 3.44Å |
| 212 | L | 95.4 | Very high | 97.1 | Very high | 135 Ų | 135 | 72.4 Ų | 72.4 | 71% | 0.707 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 61.8 | 30 | -178.1 | -51.8 | 172.8 | 0 | 0 | 0 | 113.7 | L208 D209 D210 | L208-L212 VanDerWaalsContact CD1-C 3.44Å; L208-L212 WeakPolarHBondContact CD1-O 3.46Å; L208-L212 HydrophobicContact CD2-CD2 3.74Å; D209-L212 PolarHBondContact O-N 3.28Å; D209-L212 PolarHBondContact OD1-N 2.9Å; D209-L212 VanDerWaalsContact OD1-N 3.07Å; D210-L212 VanDerWaalsContact C-N 3.32Å |
| 213 | V | 96.9 | Very high | 97.1 | Very high | 71 Ų | 71 | 75.8 Ų | 75.8 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | trans | -101.3 | 130.7 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | D209 N211 H215 | D209-V213 PolarHBondContact N-O 3.34Å; D209-V213 WeakPolarHBondContact OD1-CB 3.32Å; D209-V213 PolarHBondContact OD1-N 3.17Å; N211-V213 VanDerWaalsContact C-N 3.26Å; N211-V213 HydrophobicContact CB-CG2 4.3Å; N211-V213 PolarHBondContact O-N 3.44Å; V213-H215 PolarHBondContact O-CD2 2.82Å; V213-H215 VanDerWaalsContact O-CD2 3.25Å | ||
| 214 | Y | 96.9 | Very high | 97.1 | Very high | 179 Ų | 179 | 77.8 Ų | 77.8 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134 | 176.6 | -77.2 | -79 | 0 | 0 | 0 | 111.3 | F207 L208 | F207-Y214 WeakPolarHBondContact O-CA 3.28Å; L208-Y214 HydrophobicContact CB-CE1 4.41Å; L208-Y214 HydrophobicContact CD1-CD1 3.8Å; L208-Y214 HydrophobicContact CD1-CD2 3.67Å; L208-Y214 HydrophobicContact CD1-CE1 3.81Å; L208-Y214 HydrophobicContact CD1-CE2 3.68Å; L208-Y214 HydrophobicContact CD1-CG 3.74Å |
| 215 | H | 97.1 | Very high | 97 | Very high | 43 Ų | 43 | 75.5 Ų | 75.5 | 20% | 0.199 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154 | 175.2 | -61.9 | -78.5 | 0 | 0 | 0 | 110.8 | Y151 S206 F207 D209 V213 | Y151-H215 HydrophobicContact CD1-CB 4.44Å; Y151-H215 AromaticContact CD1-CG 3.95Å; Y151-H215 HydrophobicContact CE1-CB 3.99Å; Y151-H215 AromaticContact CE1-CE1 3.96Å; Y151-H215 AromaticContact CE1-CG 3.6Å; Y151-H215 AromaticContact CE1-ND1 3.52Å; S206-H215 VanDerWaalsContact CA-O 3.29Å; S206-H215 WeakPolarHBondContact CA-O 3.29Å; F207-H215 HydrophobicContact CD2-CB 4.29Å; F207-H215 HydrophobicContact CE1-CB 4.12Å; F207-H215 HydrophobicContact CE2-CB 3.75Å; F207-H215 AromaticContact CE2-CD2 3.95Å; F207-H215 HydrophobicContact CZ-CB 3.64Å; F207-H215 PolarHBondContact N-O 2.93Å; F207-H215 PolarHBondContact O-N 3.16Å; D209-H215 IonicContact OD2-CD2 3.58Å; D209-H215 IonicContact OD2-CE1 2.77Å; D209-H215 IonicContact OD2-NE2 3.57Å; D209-H215 PolarHBondContact OD2-NE2 3.39Å; V213-H215 PolarHBondContact O-CD2 2.82Å; V213-H215 VanDerWaalsContact O-CD2 3.25Å |
| 216 | I | 97.1 | Very high | 96.9 | Very high | 91 Ų | 91 | 74.5 Ų | 74.5 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 120.9 | -179.4 | -53.7 | 177 | 0 | 0 | 0 | 109.8 | D204 L205 R218 | D204-I216 HydrophobicContact CB-CG2 3.84Å; L205-I216 CarbonylContact O-C 3.53Å; L205-I216 WeakPolarHBondContact O-CA 3.08Å; I216-R218 HydrophobicContact CG2-CG 4.27Å |
| 217 | L | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 115.4 | 173.4 | -68.3 | 176.2 | 0 | 0 | 0 | 111 | L147 L149 Y151 D204 L205 F207 H220 | L147-L217 HydrophobicContact CD1-CD1 3.86Å; L149-L217 HydrophobicContact CD1-CD1 4.24Å; L149-L217 HydrophobicContact CD1-CD2 3.69Å; Y151-L217 HydrophobicContact CE2-CD2 3.92Å; D204-L217 WeakPolarHBondContact CA-O 3.17Å; L205-L217 HydrophobicContact CB-CB 4.42Å; L205-L217 HydrophobicContact CD2-CD1 4.44Å; L205-L217 PolarHBondContact N-O 2.97Å; L205-L217 VanDerWaalsContact N-O 3.11Å; L205-L217 PolarHBondContact O-N 3.07Å; F207-L217 HydrophobicContact CE1-CD1 3.72Å; F207-L217 HydrophobicContact CE1-CG 3.77Å; L217-H220 HydrophobicContact CB-CB 3.91Å; L217-H220 PolarHBondContact O-ND1 2.96Å |
| 218 | R | 97.7 | Very high | 96.5 | Very high | 176 Ų | 176 | 79.7 Ų | 79.7 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | trans | -101.6 | 145.4 | 176.6 | -56.1 | -158.8 | 162.3 | 148.3 | 3.6 | 111.6 | D204 I216 H220 | D204-R218 WeakPolarHBondContact OD1-CA 3.46Å; D204-R218 WeakPolarHBondContact OD1-CG 3.31Å; D204-R218 WeakPolarHBondContact OD2-CD 3.29Å; D204-R218 WeakPolarHBondContact OD2-CG 3.29Å; D204-R218 IonicContact OD2-CZ 2.6Å; D204-R218 IonicContact OD2-NE 4Å; D204-R218 PolarHBondContact OD2-NE 2.92Å; D204-R218 IonicContact OD2-NH2 3.81Å; I216-R218 HydrophobicContact CG2-CG 4.27Å; R218-H220 PolarHBondContact O-N 3.15Å | ||
| 219 | K | 97.6 | Very high | 96.5 | Very high | 153 Ų | 153 | 81.4 Ų | 81.4 | 67% | 0.665 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 49.6 | 31.9 | 178.2 | -60.3 | -179.6 | 179.5 | 175.7 | 0 | 113 | F201 | F201-K219 HydrophobicContact CB-CB 4.35Å; F201-K219 HydrophobicContact CB-CG 4.38Å; F201-K219 HydrophobicContact CD1-CB 3.81Å; F201-K219 HydrophobicContact CD1-CG 4.5Å; F201-K219 WeakPolarHBondContact CD1-O 3.42Å; F201-K219 HydrophobicContact CD2-CB 4.14Å; F201-K219 HydrophobicContact CD2-CD 4.29Å; F201-K219 HydrophobicContact CD2-CG 3.97Å; F201-K219 HydrophobicContact CE1-CB 4.11Å; F201-K219 WeakPolarHBondContact CE1-O 3.5Å; F201-K219 HydrophobicContact CE2-CB 4.43Å; F201-K219 HydrophobicContact CE2-CD 4.33Å; F201-K219 HydrophobicContact CE2-CG 4.42Å; F201-K219 HydrophobicContact CG-CB 3.82Å; F201-K219 HydrophobicContact CG-CG 4.02Å; F201-K219 HydrophobicContact CZ-CB 4.41Å |
| 220 | H | 97.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 84.6 Ų | 84.6 | 18% | 0.181 | 40% | 0.404 | C | S | . | . | trans | -84.8 | -27.9 | -172.7 | 66.2 | -82.1 | 0 | 0 | 0 | 111.4 | F159 D203 L205 L217 R218 | F159-H220 WeakPolarHBondContact CE2-O 3.48Å; D203-H220 PolarHBondContact O-CE1 3.4Å; L205-H220 VanDerWaalsContact CB-CE1 3.45Å; L205-H220 WeakPolarHBondContact CB-CE1 3.47Å; L217-H220 HydrophobicContact CB-CB 3.91Å; L217-H220 PolarHBondContact O-ND1 2.96Å; R218-H220 PolarHBondContact O-N 3.15Å | ||
| 221 | S | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 84.2 Ų | 84.2 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -130.3 | 149.5 | -177.9 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | R160 F201 D202 | R160-S221 WeakPolarHBondContact CA-OG 3.49Å; R160-S221 WeakPolarHBondContact CB-OG 2.9Å; R160-S221 PolarHBondContact N-OG 3.09Å; R160-S221 PolarHBondContact O-OG 3.18Å; R160-S221 VanDerWaalsContact O-OG 3.07Å; F201-S221 CarbonylContact C-O 3.58Å; F201-S221 WeakPolarHBondContact CA-O 3.46Å; F201-S221 WeakPolarHBondContact CB-O 3.33Å; F201-S221 WeakPolarHBondContact CD1-O 3.19Å; D202-S221 PolarHBondContact N-O 3.24Å |
| 222 | A | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 82.1 Ų | 82.1 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L137 R160 P198 | L137-A222 HydrophobicContact CD1-CB 3.78Å; L137-A222 WeakPolarHBondContact CD1-O 3.45Å; R160-A222 WeakPolarHBondContact CB-O 3.37Å; R160-A222 PolarHBondContact O-N 2.96Å; P198-A222 HydrophobicContact CB-CB 3.82Å; P198-A222 HydrophobicContact CG-CB 3.82Å |
| 223 | K | 98.1 | Very high | 96.6 | Very high | 98 Ų | 98 | 78.8 Ų | 78.8 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -34.8 | 173.8 | -172 | 166 | -171.5 | 162.7 | 0 | 112.8 | L137 A200 F201 D202 | L137-K223 WeakPolarHBondContact CD2-O 3.35Å; A200-K223 HydrophobicContact CB-CB 4.19Å; A200-K223 PolarHBondContact O-N 3.11Å; F201-K223 VanDerWaalsContact C-CB 3.45Å; F201-K223 WeakPolarHBondContact O-CB 3.45Å; D202-K223 VanDerWaalsContact OD1-CB 3.25Å; D202-K223 WeakPolarHBondContact OD1-CB 3.37Å; D202-K223 WeakPolarHBondContact OD1-CG 3.38Å |
| 224 | R | 97.4 | Very high | 96.6 | Very high | 164 Ų | 164 | 79.3 Ų | 79.3 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.7 | 177.7 | -66.8 | -172.5 | -68.2 | 180 | -1.7 | 110.4 | P198 T199 A200 | P198-R224 CarbonylContact C-O 3.42Å; P198-R224 VanDerWaalsContact CA-O 3.32Å; P198-R224 WeakPolarHBondContact CA-O 3.48Å; T199-R224 PolarHBondContact N-O 2.96Å; T199-R224 PolarHBondContact OG1-O 3.18Å; A200-R224 HydrophobicContact CB-CB 4.08Å; A200-R224 HydrophobicContact CB-CG 4.37Å; A200-R224 PolarHBondContact O-N 2.89Å |
| 225 | C | 96.9 | Very high | 96.6 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.7 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L137 C162 | L137-C225 WeakPolarHBondContact CD1-SG 3.39Å; C162-C225 WeakPolarHBondContact CA-SG 3.3Å; C162-C225 HydrophobicContact CB-CB 3.74Å; C162-C225 WeakPolarHBondContact CB-SG 3.37Å; C162-C225 WeakPolarHBondContact SG-CA 3.43Å; C162-C225 WeakPolarHBondContact SG-CB 3.43Å; C162-C225 CovalentContact SG-SG 2.03Å; C162-C225 PolarHBondContact SG-SG 2.9Å |
| 226 | G | 93.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 74.5 Ų | 74.5 | 19% | 0.186 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 164.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C135 R197 | C135-G226 PolarHBondContact SG-O 3.06Å; R197-G226 PolarHBondContact N-O 2.87Å; R197-G226 PolarHBondContact O-N 3.39Å |
| 227 | C | 93.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 73.1 Ų | 73.1 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.3 | 171 | -62.7 | 0 | 0 | 0 | 0 | 108.4 | C166 A169 A194 | C166-C227 WeakPolarHBondContact CA-SG 3.38Å; C166-C227 HydrophobicContact CB-CB 3.65Å; C166-C227 WeakPolarHBondContact CB-SG 3.33Å; C166-C227 WeakPolarHBondContact SG-CA 3.38Å; C166-C227 WeakPolarHBondContact SG-CB 3.26Å; C166-C227 CovalentContact SG-SG 2.03Å; C166-C227 PolarHBondContact SG-SG 3.07Å; A169-C227 HydrophobicContact CB-CB 3.72Å; A194-C227 HydrophobicContact CB-CB 4.31Å |
| 228 | I | 92.1 | Very high | 96.5 | Very high | 140 Ų | 140 | 78.5 Ų | 78.5 | 72% | 0.718 | 36% | 0.361 | S | S | * | . | trans | -138.6 | 0 | -179.1 | 61 | 170.5 | 0 | 0 | 0 | 111.3 | A194 C195 R197 T199 | A194-I228 CarbonylContact C-O 3.51Å; A194-I228 WeakPolarHBondContact CA-O 3.34Å; C195-I228 PolarHBondContact N-O 2.75Å; C195-I228 PolarHBondContact O-N 2.85Å; R197-I228 HydrophobicContact CB-CD1 3.77Å; R197-I228 HydrophobicContact CB-CG1 3.78Å; R197-I228 HydrophobicContact CG-CD1 4.49Å; R197-I228 HydrophobicContact CG-CG1 4.27Å; T199-I228 HydrophobicContact CG2-CG2 4.14Å |
Retrieved 228 of 228 residues in 31.8 ms
(Link to these results)