| 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 | 33.3 | Very low | 36 | Very low | 255 Ų | 255 | 132.6 Ų | 132.6 | 100% | 1.256 | 87% | 0.867 | S | S | * | * | 0 | 133.1 | 0 | -67.1 | 165 | 162.6 | 0 | 0 | 107.7 | |||||
| 2 | G | 33.2 | Very low | 36.5 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 88% | 0.876 | 88% | 0.875 | S | S | * | * | cis | -123 | -170.5 | -46.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | S | 31.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 86% | 0.86 | 87% | 0.866 | S | S | * | * | cis | -149 | 149.9 | -7.5 | -171.3 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 4 | G | 36.4 | Very low | 36.2 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 87% | 0.868 | S | S | * | * | cis | 102.5 | 100.3 | 29.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | G | 33.2 | Very low | 36.9 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 88% | 0.876 | 87% | 0.867 | S | S | * | * | trans | 142.8 | 134.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 6 | E | 44.1 | Very low | 37.6 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 86% | 0.862 | S | S | * | * | trans | -106 | 157.1 | 176.9 | -63.5 | 174.6 | 82.5 | 0 | 0 | 112.3 | ||||
| 7 | S | 36.7 | Very low | 37.8 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 86% | 0.862 | S | S | * | * | 144 | 138.2 | 109 | -155.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 8 | L | 39 | Very low | 38.1 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 74% | 0.743 | 85% | 0.854 | S | S | * | * | trans | 47.1 | 126.9 | 150.4 | -72.8 | 166.1 | 0 | 0 | 0 | 124.6 | ||||
| 9 | R | 39.9 | Very low | 38.2 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | trans | 48.7 | 136.5 | 144.6 | -66.8 | -179.7 | 173.1 | -166.7 | -1.1 | 120.5 | ||||
| 10 | G | 35.1 | Very low | 38.6 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | cis | 137 | 142.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 11 | G | 33.4 | Very low | 38.9 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | 124.4 | 118 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 12 | R | 42.4 | Very low | 39.9 | Very low | 255 Ų | 255 | 139.9 Ų | 139.9 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | trans | 59 | 164.4 | 154.5 | -72.6 | -178.2 | 172.9 | 174.9 | -2.3 | 119.8 | ||||
| 13 | A | 36.8 | Very low | 40.4 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | cis | 178 | 140.8 | -41.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 14 | S | 32.2 | Very low | 41.4 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | trans | -164.3 | 166.1 | 151.8 | -160.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | R | 46 | Very low | 41.9 | Very low | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -106.6 | 177.6 | 174.9 | -65.7 | 170.9 | 164.8 | 158.7 | -8.6 | 110.1 | ||||
| 16 | P | 49.1 | Very low | 42.8 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | -145.2 | 166.6 | 96.2 | 39.2 | -25 | 0 | 0 | 0 | 116.8 | |||||
| 17 | L | 39.8 | Very low | 43.6 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 54.3 | 123.4 | 159 | -96.8 | 66.7 | 0 | 0 | 0 | 122.2 | ||||
| 18 | L | 42.9 | Very low | 45.6 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | -91.6 | 135.6 | 162.5 | 176.2 | 75.7 | 0 | 0 | 0 | 108.7 | L20 | L18-L20 HydrophobicContact CD2-CD1 4.25Å; L18-L20 HydrophobicContact CD2-CG 4.09Å | ||
| 19 | L | 41.5 | Very low | 47.9 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -106.3 | 120.1 | 161.3 | -145.6 | 85.5 | 0 | 0 | 0 | 108.9 | L21 | L19-L21 PolarHBondContact O-N 3.05Š| ||
| 20 | L | 46 | Very low | 50.3 | Low | 146 Ų | 146 | 129.7 Ų | 129.7 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -83 | 99.1 | 179 | -99.6 | 157.9 | 0 | 0 | 0 | 110.2 | L18 | L18-L20 HydrophobicContact CD2-CD1 4.25Å; L18-L20 HydrophobicContact CD2-CG 4.09Å | ||
| 21 | L | 44.8 | Very low | 53.1 | Low | 149 Ų | 149 | 128.9 Ų | 128.9 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | -87.5 | 123.3 | 160.2 | -87.1 | 169 | 0 | 0 | 0 | 109.4 | L19 M23 | L19-L21 PolarHBondContact O-N 3.05Å; L21-M23 PolarHBondContact O-N 3.02Å; L21-M23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | I | 53.6 | Low | 56.1 | Low | 156 Ų | 156 | 125.8 Ų | 125.8 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | -75.8 | 96.6 | 174.9 | -58.6 | 171.2 | 0 | 0 | 0 | 108.2 | ||||
| 23 | M | 44.7 | Very low | 58.5 | Low | 172 Ų | 172 | 119.4 Ų | 119.4 | 85% | 0.847 | 68% | 0.677 | S | S | * | * | trans | -106.2 | 77 | 159.1 | -69.8 | -59.4 | -68.6 | 0 | 0 | 108.7 | L21 G25 | L21-M23 PolarHBondContact O-N 3.02Å; L21-M23 VanDerWaalsContact O-N 3.08Å; M23-G25 PolarHBondContact O-N 3.19Å | ||
| 24 | G | 52.5 | Low | 61.3 | Low | 65 Ų | 65 | 116.2 Ų | 116.2 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | trans | -66.4 | 85.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | M26 | G24-M26 PolarHBondContact O-N 2.68Š| ||
| 25 | G | 46 | Very low | 64.3 | Low | 68 Ų | 68 | 115.3 Ų | 115.3 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | trans | -61.5 | 104.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | M23 A27 | M23-G25 PolarHBondContact O-N 3.19Å; G25-A27 PolarHBondContact O-N 3.42Å | ||
| 26 | M | 52.4 | Low | 66.6 | Low | 181 Ų | 181 | 107.5 Ų | 107.5 | 89% | 0.892 | 61% | 0.608 | S | S | * | * | trans | -56 | 106.9 | 167.5 | -67.8 | -71 | -115.6 | 0 | 0 | 107.3 | G24 Q28 | G24-M26 PolarHBondContact O-N 2.68Å; M26-Q28 PolarHBondContact O-N 3.12Å | ||
| 27 | A | 60.2 | Low | 68.7 | Low | 63 Ų | 63 | 104.3 Ų | 104.3 | 52% | 0.521 | 58% | 0.583 | S | S | . | * | trans | -62.8 | 103.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | G25 D29 Q58 | G25-A27 PolarHBondContact O-N 3.42Å; A27-D29 PolarHBondContact O-N 2.95Å; A27-D29 VanDerWaalsContact O-N 3.09Å; A27-Q58 HydrophobicContact CB-CG 4.12Å | ||
| 28 | Q | 79.3 | Confident | 71.2 | Confident | 171 Ų | 171 | 96.9 Ų | 96.9 | 80% | 0.799 | 54% | 0.544 | S | S | * | . | trans | -66.8 | 114.5 | -164.1 | -169.6 | 168.7 | 2 | 0 | 0 | 110.4 | M26 S30 | M26-Q28 PolarHBondContact O-N 3.12Å; Q28-S30 PolarHBondContact O-N 3.22Å; Q28-S30 PolarHBondContact O-OG 3.25Å | ||
| 29 | D | 88.1 | Confident | 73.6 | Confident | 67 Ų | 67 | 97.8 Ų | 97.8 | 36% | 0.358 | 55% | 0.545 | S | S | . | . | trans | -54.1 | 123.9 | -179.9 | -110.5 | 47.2 | 0 | 0 | 0 | 109.6 | A27 Q58 R119 L120 | A27-D29 PolarHBondContact O-N 2.95Å; A27-D29 VanDerWaalsContact O-N 3.09Å; D29-Q58 CarbonylContact C-O 3.56Å; D29-Q58 WeakPolarHBondContact CA-O 3.32Å; D29-R119 IonicContact OD1-CZ 2.94Å; D29-R119 IonicContact OD1-NE 3.85Å; D29-R119 IonicContact OD1-NH2 3.28Å; D29-R119 PolarHBondContact OD1-NH2 3.5Å; D29-R119 IonicContact OD2-CZ 3.85Å; D29-R119 IonicContact OD2-NE 3.04Å; D29-R119 PolarHBondContact OD2-NE 3.04Å; D29-R119 IonicContact OD2-NH2 2.76Å; D29-R119 PolarHBondContact OD2-NH2 3.14Å; D29-L120 HydrophobicContact CB-CD1 3.73Å | ||
| 30 | S | 90.6 | Very high | 75.9 | Confident | 44 Ų | 44 | 95.8 Ų | 95.8 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 134.2 | -169.9 | 40.7 | 0 | 0 | 0 | 0 | 111.3 | Q28 Q58 N118 | Q28-S30 PolarHBondContact O-N 3.22Å; Q28-S30 PolarHBondContact O-OG 3.25Å; S30-Q58 PolarHBondContact N-O 3.47Å; S30-Q58 PolarHBondContact O-N 3.42Å; S30-Q58 WeakPolarHBondContact OG-CB 3.42Å; S30-Q58 PolarHBondContact OG-N 2.91Å; S30-Q58 VanDerWaalsContact OG-N 3.16Å; S30-N118 PolarHBondContact O-ND2 2.93Å |
| 31 | P | 93.6 | Very high | 77.8 | Confident | 67 Ų | 67 | 91.5 Ų | 91.5 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 160.9 | 180 | 29.7 | -36.1 | 0 | 0 | 0 | 111.3 | L120 | P31-L120 HydrophobicContact CB-CB 4.34Å |
| 32 | P | 95 | Very high | 79.6 | Confident | 10 Ų | 10 | 86.9 Ų | 86.9 | 7% | 0.065 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 141.3 | 178.5 | 25.7 | -34.7 | 0 | 0 | 0 | 111.9 | S56 P61 A116 N118 G121 A123 | P32-S56 CarbonylContact C-O 3.46Å; P32-S56 WeakPolarHBondContact CA-O 3.44Å; P32-P61 HydrophobicContact CB-CB 3.92Å; P32-P61 HydrophobicContact CB-CG 4.27Å; P32-A116 HydrophobicContact CB-CB 4.09Å; P32-A116 WeakPolarHBondContact CG-O 3.35Å; P32-N118 WeakPolarHBondContact CD-OD1 3.16Å; P32-G121 WeakPolarHBondContact CD-O 3.42Å; P32-G121 WeakPolarHBondContact CG-O 3.3Å; P32-A123 HydrophobicContact CB-CB 3.99Å; P32-A123 HydrophobicContact CG-CB 3.97Å; P32-A123 VanDerWaalsContact O-CB 3.32Å; P32-A123 WeakPolarHBondContact O-CB 3.41Å |
| 33 | Q | 94.4 | Very high | 80.7 | Confident | 122 Ų | 122 | 80.3 Ų | 80.3 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.8 | 170.5 | -63.9 | -176.1 | -3.8 | 0 | 0 | 108.6 | L35 A55 S56 | Q33-L35 PolarHBondContact O-N 3.02Å; Q33-A55 CarbonylContact O-C 3.51Å; Q33-A55 WeakPolarHBondContact O-CA 3.34Å; Q33-A55 WeakPolarHBondContact O-CB 3.4Å; Q33-S56 PolarHBondContact N-O 2.98Å; Q33-S56 PolarHBondContact O-N 3.44Å |
| 34 | I | 95.3 | Very high | 81.8 | Confident | 26 Ų | 26 | 76.5 Ų | 76.5 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.9 | 177.4 | -51.6 | -57.9 | 0 | 0 | 0 | 109 | V36 H37 A55 A116 A123 | I34-V36 VanDerWaalsContact CG2-O 3.26Å; I34-V36 WeakPolarHBondContact CG2-O 3.43Å; I34-H37 VanDerWaalsContact CG2-ND1 3.29Å; I34-H37 WeakPolarHBondContact CG2-ND1 3.15Å; I34-A55 HydrophobicContact CD1-CB 3.94Å; I34-A116 HydrophobicContact CD1-CB 3.6Å; I34-A123 HydrophobicContact CD1-CB 4.35Å; I34-A123 HydrophobicContact CG1-CB 4.27Å |
| 35 | L | 93.8 | Very high | 82.4 | Confident | 106 Ų | 106 | 74.8 Ų | 74.8 | 56% | 0.555 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -35.5 | 177.4 | -63.3 | -178.6 | 0 | 0 | 0 | 112.3 | Q33 R54 S56 | Q33-L35 PolarHBondContact O-N 3.02Å; L35-R54 PolarHBondContact N-O 3.31Å; L35-S56 WeakPolarHBondContact CG-OG 3.45Å |
| 36 | V | 94.3 | Very high | 83.2 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 114.3 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | I34 C53 R54 | I34-V36 VanDerWaalsContact CG2-O 3.26Å; I34-V36 WeakPolarHBondContact CG2-O 3.43Å; V36-C53 WeakPolarHBondContact O-CA 3.48Å; V36-R54 HydrophobicContact CB-CB 3.88Å; V36-R54 HydrophobicContact CG2-CB 3.94Å; V36-R54 PolarHBondContact N-O 3.38Å; V36-R54 PolarHBondContact O-N 3.17Å; V36-R54 VanDerWaalsContact O-N 3.1Å |
| 37 | H | 93.8 | Very high | 84 | Confident | 54 Ų | 54 | 71 Ų | 71 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | trans | -83.5 | 150.2 | 166.4 | -56.8 | -63.9 | 0 | 0 | 0 | 109.8 | I34 R126 | I34-H37 VanDerWaalsContact CG2-ND1 3.29Å; I34-H37 WeakPolarHBondContact CG2-ND1 3.15Å; H37-R126 HydrophobicContact CB-CB 4.42Å; H37-R126 PolarHBondContact ND1-N 3.36Å | ||
| 38 | P | 93.6 | Very high | 85 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | trans | -63.2 | 166.7 | 166.9 | 30.1 | -35.5 | 0 | 0 | 0 | 111.5 | M51 S52 W65 S125 A128 | P38-M51 HydrophobicContact CB-CB 4.43Å; P38-S52 WeakPolarHBondContact CA-O 3.47Å; P38-W65 HydrophobicContact CB-CH2 3.93Å; P38-W65 HydrophobicContact CB-CZ3 4.15Å; P38-W65 HydrophobicContact CG-CH2 4.03Å; P38-W65 HydrophobicContact CG-CZ3 3.95Å; P38-S125 WeakPolarHBondContact CD-OG 3.24Å; P38-A128 HydrophobicContact CB-CB 3.56Å; P38-A128 HydrophobicContact CG-CB 3.67Å | ||
| 39 | Q | 92.4 | Very high | 85.2 | Confident | 158 Ų | 158 | 63.5 Ų | 63.5 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | trans | -128.8 | 151.5 | 179 | -59.9 | -178.5 | 8.9 | 0 | 0 | 109.1 | Q41 | Q39-Q41 PolarHBondContact O-N 3.1Š| ||
| 40 | D | 89.4 | Confident | 85.3 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | trans | -57.8 | 129.1 | 177.5 | -73.4 | 10.6 | 0 | 0 | 0 | 110.3 | A128 R129 | D40-A128 VanDerWaalsContact OD1-CA 3.29Å; D40-A128 WeakPolarHBondContact OD1-CA 3.43Å; D40-R129 CarbonylContact C-O 3.53Å; D40-R129 WeakPolarHBondContact CA-O 3.44Å; D40-R129 PolarHBondContact OD1-N 3.36Å | ||
| 41 | Q | 86.3 | Confident | 85.3 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.5 | -179.5 | -170.8 | 171.3 | 19.2 | 0 | 0 | 110 | Q39 M51 R129 L130 S131 | Q39-Q41 PolarHBondContact O-N 3.1Å; Q41-M51 HydrophobicContact CB-SD 4.21Å; Q41-R129 PolarHBondContact N-O 3.08Å; Q41-L130 HydrophobicContact CB-CD1 3.95Å; Q41-L130 HydrophobicContact CG-CD1 4.25Å; Q41-S131 PolarHBondContact O-N 3.2Å |
| 42 | L | 81.8 | Confident | 85.3 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.4 | 171.5 | 179.2 | 67.7 | 0 | 0 | 0 | 109.3 | Q44 S131 A133 P165 | L42-Q44 HydrophobicContact CG-CG 4.47Å; L42-S131 CarbonylContact C-O 3.51Å; L42-S131 WeakPolarHBondContact CA-O 3.45Å; L42-A133 HydrophobicContact CD1-CB 4.1Å; L42-A133 HydrophobicContact CG-CB 4.46Å; L42-P165 HydrophobicContact CD2-CG 3.48Å; L42-P165 VanDerWaalsContact CD2-CG 3.48Å |
| 43 | F | 77.1 | Confident | 85.2 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.2 | -171.2 | -169.2 | -102.7 | 0 | 0 | 0 | 112.7 | G45 G47 P93 S131 A133 | F43-G45 WeakPolarHBondContact CE1-O 3.38Å; F43-G45 WeakPolarHBondContact CZ-O 3.28Å; F43-G47 WeakPolarHBondContact CE2-O 3.39Å; F43-G47 WeakPolarHBondContact CZ-O 3.11Å; F43-P93 HydrophobicContact CD1-CB 3.85Å; F43-P93 HydrophobicContact CD1-CG 3.97Å; F43-P93 HydrophobicContact CD2-CG 4.25Å; F43-P93 HydrophobicContact CE1-CB 3.75Å; F43-P93 HydrophobicContact CE1-CG 3.4Å; F43-P93 HydrophobicContact CE2-CB 4.47Å; F43-P93 HydrophobicContact CE2-CG 3.73Å; F43-P93 HydrophobicContact CG-CB 4.26Å; F43-P93 HydrophobicContact CG-CG 4.36Å; F43-P93 HydrophobicContact CZ-CB 4.1Å; F43-P93 HydrophobicContact CZ-CG 3.28Å; F43-S131 PolarHBondContact N-O 3.21Å; F43-A133 PolarHBondContact O-N 2.84Å |
| 44 | Q | 68 | Low | 85.2 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | trans | -140.3 | -9.5 | -161.7 | -60.7 | 173.6 | 6.6 | 0 | 0 | 115.3 | L42 A133 S212 | L42-Q44 HydrophobicContact CG-CG 4.47Å; Q44-A133 HydrophobicContact CG-CB 4.14Å; Q44-S212 VanDerWaalsContact NE2-CB 3.3Å; Q44-S212 PolarHBondContact NE2-OG 3.48Å | ||
| 45 | G | 64.1 | Low | 85.1 | Confident | 29 Ų | 29 | 63.1 Ų | 63.1 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -138.9 | -152.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F43 | F43-G45 WeakPolarHBondContact CE1-O 3.38Å; F43-G45 WeakPolarHBondContact CZ-O 3.28Å |
| 46 | P | 62.9 | Low | 85.1 | Confident | 138 Ų | 138 | 60.1 Ų | 60.1 | 90% | 0.896 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -112.7 | 16.4 | -179.3 | 40.2 | -33.5 | 0 | 0 | 0 | 114.8 | ||
| 47 | G | 70.9 | Confident | 85 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -88.2 | 172 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F43 P93 | F43-G47 WeakPolarHBondContact CE2-O 3.39Å; F43-G47 WeakPolarHBondContact CZ-O 3.11Å; G47-P93 WeakPolarHBondContact O-CG 3.45Å |
| 48 | P | 80.6 | Confident | 84.9 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 143.6 | 173.3 | 30.4 | -34.9 | 0 | 0 | 0 | 111.7 | L90 | P48-L90 CarbonylContact C-O 3.58Å; P48-L90 WeakPolarHBondContact CA-O 2.99Å; P48-L90 WeakPolarHBondContact CB-O 3.46Å |
| 49 | A | 84.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 151.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L89 L90 P93 L130 | A49-L89 VanDerWaalsContact O-CA 3.31Å; A49-L89 WeakPolarHBondContact O-CA 3.32Å; A49-L90 HydrophobicContact CB-CB 4.27Å; A49-L90 PolarHBondContact N-O 3.35Å; A49-L90 PolarHBondContact O-N 2.92Å; A49-P93 HydrophobicContact CB-CB 4.47Å; A49-L130 HydrophobicContact CB-CD1 3.85Å; A49-L130 HydrophobicContact CB-CD2 4.11Å |
| 50 | R | 89.1 | Confident | 84.9 | Confident | 131 Ų | 131 | 57.1 Ų | 57.1 | 49% | 0.494 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 104.9 | -170.4 | -176.1 | -172 | 172.8 | 134.4 | 15.8 | 111.7 | S52 D85 T87 L88 L89 | R50-S52 PolarHBondContact NE-OG 3.2Å; R50-S52 PolarHBondContact NH2-OG 3.3Å; R50-D85 IonicContact NH2-OD2 3.87Å; R50-D85 PolarHBondContact NH2-OD2 3.41Å; R50-T87 HydrophobicContact CG-CG2 3.42Å; R50-T87 VanDerWaalsContact CG-CG2 3.42Å; R50-T87 PolarHBondContact NH2-OG1 2.81Å; R50-L88 WeakPolarHBondContact CA-O 3.37Å; R50-L89 HydrophobicContact CB-CD2 3.79Å; R50-L89 HydrophobicContact CG-CD2 3.82Å |
| 51 | M | 90.9 | Very high | 85.1 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 102.6 | 173 | -50.7 | -57.1 | -96.8 | 0 | 0 | 109 | P38 Q41 W65 L88 Y112 A128 L130 | P38-M51 HydrophobicContact CB-CB 4.43Å; Q41-M51 HydrophobicContact CB-SD 4.21Å; M51-W65 HydrophobicContact CB-CH2 3.62Å; M51-W65 HydrophobicContact CB-CZ2 4.28Å; M51-W65 HydrophobicContact CB-CZ3 3.84Å; M51-W65 WeakPolarHBondContact O-CH2 3.47Å; M51-W65 WeakPolarHBondContact O-CZ2 3.29Å; M51-L88 HydrophobicContact CB-CB 4.32Å; M51-L88 PolarHBondContact N-O 2.95Å; M51-L88 PolarHBondContact O-N 2.87Å; M51-Y112 HydrophobicContact CE-CD2 4.14Å; M51-Y112 HydrophobicContact CE-CG 4.27Å; M51-Y112 HydrophobicContact CG-CG 4.3Å; M51-A128 HydrophobicContact CE-CB 3.61Å; M51-L130 HydrophobicContact CE-CB 4.43Å |
| 52 | S | 92.8 | Very high | 85.4 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | trans | -89 | 130.7 | 178.3 | -77.6 | 0 | 0 | 0 | 0 | 112.3 | P38 R50 T87 | P38-S52 WeakPolarHBondContact CA-O 3.47Å; R50-S52 PolarHBondContact NE-OG 3.2Å; R50-S52 PolarHBondContact NH2-OG 3.3Å; S52-T87 WeakPolarHBondContact OG-CG2 3.43Å; S52-T87 PolarHBondContact OG-OG1 2.88Å | ||
| 53 | C | 94.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | trans | -128.4 | 148 | 168.3 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | V36 W65 G86 C114 | V36-C53 WeakPolarHBondContact O-CA 3.48Å; C53-W65 HydrophobicContact CB-CH2 3.74Å; C53-W65 HydrophobicContact CB-CZ2 3.37Å; C53-G86 CarbonylContact O-C 3.54Å; C53-G86 WeakPolarHBondContact O-CA 3.49Å; C53-C114 HydrophobicContact CB-CB 3.41Å; C53-C114 VanDerWaalsContact CB-CB 3.41Å; C53-C114 WeakPolarHBondContact CB-SG 3.33Å; C53-C114 WeakPolarHBondContact SG-CB 3.47Å; C53-C114 CovalentContact SG-SG 2.03Å; C53-C114 PolarHBondContact SG-SG 3.44Å | ||
| 54 | R | 94.3 | Very high | 86.6 | Confident | 136 Ų | 136 | 58.3 Ų | 58.3 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 138.8 | 170.8 | -174.4 | 176 | -66.9 | -174.2 | -0 | 109.8 | L35 V36 | L35-R54 PolarHBondContact N-O 3.31Å; V36-R54 HydrophobicContact CB-CB 3.88Å; V36-R54 HydrophobicContact CG2-CB 3.94Å; V36-R54 PolarHBondContact N-O 3.38Å; V36-R54 PolarHBondContact O-N 3.17Å; V36-R54 VanDerWaalsContact O-N 3.1Å |
| 55 | A | 93.4 | Very high | 87.8 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q33 I34 P61 I63 A116 | Q33-A55 CarbonylContact O-C 3.51Å; Q33-A55 WeakPolarHBondContact O-CA 3.34Å; Q33-A55 WeakPolarHBondContact O-CB 3.4Å; I34-A55 HydrophobicContact CD1-CB 3.94Å; A55-P61 HydrophobicContact CB-CG 3.85Å; A55-I63 HydrophobicContact CB-CD1 4.49Å; A55-A116 HydrophobicContact CB-CB 3.41Å; A55-A116 VanDerWaalsContact CB-CB 3.41Å |
| 56 | S | 93.5 | Very high | 89.1 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 154.4 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | P32 Q33 L35 | P32-S56 CarbonylContact C-O 3.46Å; P32-S56 WeakPolarHBondContact CA-O 3.44Å; Q33-S56 PolarHBondContact N-O 2.98Å; Q33-S56 PolarHBondContact O-N 3.44Å; L35-S56 WeakPolarHBondContact CG-OG 3.45Å |
| 57 | G | 91.5 | Very high | 90.4 | Very high | 17 Ų | 17 | 48 Ų | 48 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | 162.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P59 P60 | G57-P59 CarbonylContact C-O 3.55Å; G57-P59 VanDerWaalsContact C-O 3.28Å; G57-P59 CarbonylContact O-C 3.45Å; G57-P60 WeakPolarHBondContact O-CA 3.34Å |
| 58 | Q | 92.8 | Very high | 91.2 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 116.6 | 178.2 | -178 | 63.3 | 7.4 | 0 | 0 | 109.2 | A27 D29 S30 L120 | A27-Q58 HydrophobicContact CB-CG 4.12Å; D29-Q58 CarbonylContact C-O 3.56Å; D29-Q58 WeakPolarHBondContact CA-O 3.32Å; S30-Q58 PolarHBondContact N-O 3.47Å; S30-Q58 PolarHBondContact O-N 3.42Å; S30-Q58 WeakPolarHBondContact OG-CB 3.42Å; S30-Q58 PolarHBondContact OG-N 2.91Å; S30-Q58 VanDerWaalsContact OG-N 3.16Å; Q58-L120 WeakPolarHBondContact O-CD1 3.46Å |
| 59 | P | 93.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 22% | 0.221 | 27% | 0.271 | C | S | . | . | S | Bend | cis | -60.3 | 159.7 | -4.6 | -22.1 | 34.3 | 0 | 0 | 0 | 113.7 | G57 N118 R119 | G57-P59 CarbonylContact C-O 3.55Å; G57-P59 VanDerWaalsContact C-O 3.28Å; G57-P59 CarbonylContact O-C 3.45Å; P59-N118 WeakPolarHBondContact O-CB 3.46Å; P59-N118 PolarHBondContact O-ND2 2.86Å; P59-R119 HydrophobicContact CG-CG 4.29Å; P59-R119 VanDerWaalsContact CG-CZ 3.46Å |
| 60 | P | 92.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 129.3 | 178.9 | -28.9 | 36.2 | 0 | 0 | 0 | 112.5 | G57 | G57-P60 WeakPolarHBondContact O-CA 3.34Š|
| 61 | P | 93.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 143.1 | -175.4 | 32.1 | -35.4 | 0 | 0 | 0 | 112.8 | P32 A55 A116 S117 N118 | P32-P61 HydrophobicContact CB-CB 3.92Å; P32-P61 HydrophobicContact CB-CG 4.27Å; A55-P61 HydrophobicContact CB-CG 3.85Å; P61-A116 HydrophobicContact CB-CB 4.17Å; P61-A116 HydrophobicContact CG-CB 4.42Å; P61-S117 CarbonylContact C-O 3.54Å; P61-S117 VanDerWaalsContact CA-O 3.24Å; P61-S117 WeakPolarHBondContact CA-O 3.3Å; P61-N118 HydrophobicContact CB-CB 4.19Å |
| 62 | T | 92.6 | Very high | 91.3 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.7 | 171.8 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | A116 S117 | T62-A116 CarbonylContact O-C 3.42Å; T62-A116 WeakPolarHBondContact O-CA 3.46Å; T62-S117 PolarHBondContact N-O 3.06Å; T62-S117 PolarHBondContact O-N 2.87Å; T62-S117 PolarHBondContact OG1-O 3.02Å; T62-S117 PolarHBondContact OG1-OG 2.81Å |
| 63 | I | 92.6 | Very high | 90.5 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 18% | 0.179 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.1 | 178.1 | -70.6 | 169.7 | 0 | 0 | 0 | 109.7 | A55 E115 A116 | A55-I63 HydrophobicContact CB-CD1 4.49Å; I63-E115 WeakPolarHBondContact CA-O 3.23Å; I63-A116 HydrophobicContact CG1-CB 4.26Å |
| 64 | R | 91.9 | Very high | 89.4 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.8 | 166.3 | 52.6 | -178.6 | 159.7 | 134.7 | -5.5 | 109.5 | E115 | R64-E115 HydrophobicContact CG-CB 4.07Å; R64-E115 HydrophobicContact CG-CG 4.5Å; R64-E115 WeakPolarHBondContact CG-O 3.45Å; R64-E115 IonicContact CZ-OE1 2.95Å; R64-E115 VanDerWaalsContact CZ-OE1 3.24Å; R64-E115 IonicContact CZ-OE2 2.84Å; R64-E115 PolarHBondContact N-O 2.89Å; R64-E115 IonicContact NE-OE1 3.73Å; R64-E115 IonicContact NE-OE2 2.98Å; R64-E115 PolarHBondContact NE-OE2 2.88Å; R64-E115 IonicContact NH1-OE1 3.95Å; R64-E115 IonicContact NH1-OE2 3.92Å; R64-E115 PolarHBondContact NH1-OE2 3.27Å; R64-E115 IonicContact NH2-OE1 3.78Å; R64-E115 PolarHBondContact NH2-OE1 2.87Å; R64-E115 IonicContact NH2-OE2 2.78Å; R64-E115 PolarHBondContact NH2-OE2 3.03Å; R64-E115 PolarHBondContact O-N 3.43Å |
| 65 | W | 92.8 | Very high | 88.4 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.1 | 179.9 | -74.1 | 88 | 0 | 0 | 0 | 111 | P38 M51 C53 L72 G86 L88 Y112 T113 C114 | P38-W65 HydrophobicContact CB-CH2 3.93Å; P38-W65 HydrophobicContact CB-CZ3 4.15Å; P38-W65 HydrophobicContact CG-CH2 4.03Å; P38-W65 HydrophobicContact CG-CZ3 3.95Å; M51-W65 HydrophobicContact CB-CH2 3.62Å; M51-W65 HydrophobicContact CB-CZ2 4.28Å; M51-W65 HydrophobicContact CB-CZ3 3.84Å; M51-W65 WeakPolarHBondContact O-CH2 3.47Å; M51-W65 WeakPolarHBondContact O-CZ2 3.29Å; C53-W65 HydrophobicContact CB-CH2 3.74Å; C53-W65 HydrophobicContact CB-CZ2 3.37Å; W65-L72 HydrophobicContact CB-CD1 3.89Å; W65-L72 PolarHBondContact O-N 3.31Å; W65-G86 WeakPolarHBondContact CZ2-O 3.41Å; W65-G86 PolarHBondContact NE1-O 2.92Å; W65-L88 HydrophobicContact CB-CD2 4.18Å; W65-L88 HydrophobicContact CD2-CB 4.1Å; W65-L88 HydrophobicContact CD2-CD2 4.11Å; W65-L88 HydrophobicContact CE3-CD2 4.42Å; W65-L88 HydrophobicContact CG-CB 4.28Å; W65-L88 HydrophobicContact CG-CD1 4.27Å; W65-L88 HydrophobicContact CG-CD2 4Å; W65-L88 HydrophobicContact CG-CG 4.44Å; W65-L88 HydrophobicContact CZ2-CB 4.17Å; W65-Y112 HydrophobicContact CE3-CD1 4.45Å; W65-T113 WeakPolarHBondContact CA-O 3.41Å; W65-C114 HydrophobicContact CD2-CB 4.18Å; W65-C114 HydrophobicContact CE3-CB 4.06Å; W65-C114 HydrophobicContact CH2-CB 3.93Å; W65-C114 HydrophobicContact CZ2-CB 4.04Å; W65-C114 HydrophobicContact CZ3-CB 3.93Å |
| 66 | L | 91.9 | Very high | 87 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 142.6 | 172.1 | -49.6 | 89.6 | 0 | 0 | 0 | 108.8 | Q70 Y112 T113 E115 | L66-Q70 CarbonylContact C-O 3.59Å; L66-Q70 WeakPolarHBondContact CA-O 3.3Å; L66-Q70 WeakPolarHBondContact CB-O 3.47Å; L66-Y112 CarbonylContact O-C 3.54Å; L66-Y112 WeakPolarHBondContact O-CA 3.32Å; L66-T113 PolarHBondContact N-O 2.88Å; L66-T113 PolarHBondContact O-N 3.49Å; L66-E115 HydrophobicContact CD1-CB 3.7Å |
| 67 | L | 89.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.5 | 172.7 | 177.1 | 52.4 | 0 | 0 | 0 | 108.6 | G69 Q70 L72 T107 Y112 | L67-G69 PolarHBondContact O-N 2.58Å; L67-Q70 PolarHBondContact N-O 3.25Å; L67-Q70 PolarHBondContact O-N 2.81Å; L67-L72 HydrophobicContact CB-CD1 4.42Å; L67-L72 HydrophobicContact CB-CD2 3.64Å; L67-L72 HydrophobicContact CB-CG 4.03Å; L67-L72 HydrophobicContact CD2-CD2 4.06Å; L67-T107 WeakPolarHBondContact CD2-O 3.33Å; L67-Y112 HydrophobicContact CB-CE1 4.47Å; L67-Y112 HydrophobicContact CD1-CD1 4.4Å; L67-Y112 HydrophobicContact CD1-CD2 3.73Å; L67-Y112 HydrophobicContact CD1-CE1 4.27Å; L67-Y112 HydrophobicContact CD1-CE2 3.54Å; L67-Y112 HydrophobicContact CD1-CG 4.16Å; L67-Y112 HydrophobicContact CD2-CE1 4.28Å; L67-Y112 HydrophobicContact CD2-CE2 4.34Å |
| 68 | N | 87.6 | Confident | 84.4 | Confident | 98 Ų | 98 | 71 Ų | 71 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 28.8 | -176.2 | -57.5 | -44.7 | 0 | 0 | 0 | 113.1 | L109 G110 V111 | N68-L109 PolarHBondContact ND2-O 3.07Å; N68-G110 VanDerWaalsContact OD1-CA 3.25Å; N68-G110 WeakPolarHBondContact OD1-CA 3.34Å; N68-V111 PolarHBondContact N-O 2.99Å; N68-V111 PolarHBondContact OD1-N 2.82Å |
| 69 | G | 86.2 | Confident | 83.7 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L67 | L67-G69 PolarHBondContact O-N 2.58Š|
| 70 | Q | 88.6 | Confident | 83.4 | Confident | 139 Ų | 139 | 69.1 Ų | 69.1 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139 | 175 | -62.3 | -57.8 | -38.5 | 0 | 0 | 111 | L66 L67 | L66-Q70 CarbonylContact C-O 3.59Å; L66-Q70 WeakPolarHBondContact CA-O 3.3Å; L66-Q70 WeakPolarHBondContact CB-O 3.47Å; L67-Q70 PolarHBondContact N-O 3.25Å; L67-Q70 PolarHBondContact O-N 2.81Å |
| 71 | P | 87.6 | Confident | 83.1 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 56% | 0.558 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 135.3 | 179 | 28.3 | -34.7 | 0 | 0 | 0 | 111.4 | ||
| 72 | L | 85.7 | Confident | 82.8 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.199 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -72 | 129.7 | 176.9 | -73.9 | 174 | 0 | 0 | 0 | 111.2 | W65 L67 M74 L88 Y112 | W65-L72 HydrophobicContact CB-CD1 3.89Å; W65-L72 PolarHBondContact O-N 3.31Å; L67-L72 HydrophobicContact CB-CD1 4.42Å; L67-L72 HydrophobicContact CB-CD2 3.64Å; L67-L72 HydrophobicContact CB-CG 4.03Å; L67-L72 HydrophobicContact CD2-CD2 4.06Å; L72-M74 PolarHBondContact O-N 2.89Å; L72-L88 HydrophobicContact CD1-CD2 3.74Å; L72-Y112 HydrophobicContact CD1-CD1 4.13Å; L72-Y112 HydrophobicContact CD1-CE1 3.82Å |
| 73 | S | 75.3 | Confident | 82.6 | Confident | 86 Ų | 86 | 68.2 Ų | 68.2 | 60% | 0.601 | 39% | 0.387 | S | S | * | . | trans | -91.6 | 80.7 | -177.6 | 176.3 | 0 | 0 | 0 | 0 | 111 | V75 | S73-V75 PolarHBondContact O-N 3Š| ||
| 74 | M | 71.6 | Confident | 82.2 | Confident | 89 Ų | 89 | 73.3 Ų | 73.3 | 44% | 0.438 | 42% | 0.422 | S | S | . | . | trans | -70.4 | 54 | 179.2 | -55.8 | -168.5 | -47.8 | 0 | 0 | 113.7 | L72 D78 L82 L88 | L72-M74 PolarHBondContact O-N 2.89Å; M74-D78 VanDerWaalsContact CA-OD2 3.28Å; M74-D78 WeakPolarHBondContact CA-OD2 3.24Å; M74-L82 HydrophobicContact CE-CB 3.88Å; M74-L82 HydrophobicContact CE-CD2 3.86Å; M74-L82 HydrophobicContact SD-CB 3.67Å; M74-L82 HydrophobicContact SD-CD2 4.44Å; M74-L88 HydrophobicContact SD-CD1 4.36Å | ||
| 75 | V | 71.7 | Confident | 81.9 | Confident | 101 Ų | 101 | 70.8 Ų | 70.8 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | trans | -105.6 | 117.5 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | S73 P77 | S73-V75 PolarHBondContact O-N 3Å; V75-P77 CarbonylContact O-C 3.55Å | ||
| 76 | P | 64.6 | Low | 81.6 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 77% | 0.766 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -58.5 | 137 | -178.3 | -26.9 | 35.3 | 0 | 0 | 0 | 112.8 | ||
| 77 | P | 59.3 | Low | 81.6 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 90% | 0.896 | 41% | 0.413 | S | S | * | . | S | Bend | cis | -86.1 | 115.1 | 1 | 33.1 | -32 | 0 | 0 | 0 | 113.2 | V75 | V75-P77 CarbonylContact O-C 3.55Š|
| 78 | D | 71.7 | Confident | 81.6 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 21% | 0.214 | 41% | 0.41 | C | S | . | . | trans | -118.1 | 130.8 | 169.5 | -178.4 | -3.5 | 0 | 0 | 0 | 107.9 | M74 H80 | M74-D78 VanDerWaalsContact CA-OD2 3.28Å; M74-D78 WeakPolarHBondContact CA-OD2 3.24Å; D78-H80 PolarHBondContact O-N 3.14Å; D78-H80 WeakPolarHBondContact OD1-CB 3.34Å; D78-H80 IonicContact OD1-CE1 2.68Å; D78-H80 IonicContact OD1-CG 3.24Å; D78-H80 PolarHBondContact OD1-N 3.43Å; D78-H80 IonicContact OD1-ND1 3.2Å; D78-H80 PolarHBondContact OD1-ND1 3.38Å; D78-H80 IonicContact OD2-ND1 3.72Å | ||
| 79 | P | 78.6 | Confident | 81.6 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 31% | 0.312 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -68 | -9.3 | 173 | 30.2 | -38.7 | 0 | 0 | 0 | 114.1 | L90 L91 | P79-L90 HydrophobicContact CB-CD1 3.81Å; P79-L90 HydrophobicContact CG-CD1 4Å; P79-L91 PolarHBondContact O-N 3.06Å |
| 80 | H | 85.1 | Confident | 81.5 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 6% | 0.06 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 138.7 | 174 | -54.9 | 86.9 | 0 | 0 | 0 | 112.6 | D78 L88 L89 D108 Y112 | D78-H80 PolarHBondContact O-N 3.14Å; D78-H80 WeakPolarHBondContact OD1-CB 3.34Å; D78-H80 IonicContact OD1-CE1 2.68Å; D78-H80 IonicContact OD1-CG 3.24Å; D78-H80 PolarHBondContact OD1-N 3.43Å; D78-H80 IonicContact OD1-ND1 3.2Å; D78-H80 PolarHBondContact OD1-ND1 3.38Å; D78-H80 IonicContact OD2-ND1 3.72Å; H80-L88 HydrophobicContact CB-CD1 4.15Å; H80-L89 CarbonylContact C-O 3.58Å; H80-L89 WeakPolarHBondContact CA-O 3.41Å; H80-D108 IonicContact CE1-OD1 3.54Å; H80-Y112 AromaticContact NE2-CE1 3.84Å; H80-Y112 AromaticContact NE2-CZ 3.86Å; H80-Y112 PolarHBondContact NE2-OH 3.07Å |
| 81 | H | 86.3 | Confident | 81 | Confident | 102 Ų | 102 | 62.1 Ų | 62.1 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 116.3 | 178.7 | -179 | -76.9 | 0 | 0 | 0 | 111.4 | L89 L91 | H81-L89 PolarHBondContact N-O 3.27Å; H81-L89 PolarHBondContact O-N 3.5Å; H81-L91 HydrophobicContact CB-CD1 4.41Å |
| 82 | L | 87.6 | Confident | 80.1 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.7 | 177.6 | -177.6 | 61.4 | 0 | 0 | 0 | 111.6 | M74 L88 | M74-L82 HydrophobicContact CE-CB 3.88Å; M74-L82 HydrophobicContact CE-CD2 3.86Å; M74-L82 HydrophobicContact SD-CB 3.67Å; M74-L82 HydrophobicContact SD-CD2 4.44Å; L82-L88 HydrophobicContact CB-CD1 4.37Å |
| 83 | L | 88.1 | Confident | 79.2 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | trans | -86.1 | 155.4 | 173.8 | -77.8 | 81.3 | 0 | 0 | 0 | 111.7 | D85 G86 T87 L89 | L83-D85 VanDerWaalsContact CB-OD1 3.3Å; L83-D85 WeakPolarHBondContact CB-OD1 3.17Å; L83-D85 PolarHBondContact O-N 3.32Å; L83-G86 PolarHBondContact O-N 2.97Å; L83-T87 HydrophobicContact CD1-CG2 4.47Å; L83-T87 WeakPolarHBondContact CD1-O 3.38Å; L83-T87 PolarHBondContact N-O 2.89Å; L83-L89 HydrophobicContact CD1-CB 4.49Å; L83-L89 HydrophobicContact CD1-CD1 3.71Å; L83-L89 HydrophobicContact CD1-CG 3.66Å | ||
| 84 | P | 84.6 | Confident | 78.7 | Confident | 142 Ų | 142 | 62.4 Ų | 62.4 | 92% | 0.922 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -13 | 175.7 | -25.1 | 34.9 | 0 | 0 | 0 | 115.9 | ||
| 85 | D | 86.4 | Confident | 78 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.5 | 176.5 | 79.1 | -28.3 | 0 | 0 | 0 | 113.9 | R50 L83 T87 | R50-D85 IonicContact NH2-OD2 3.87Å; R50-D85 PolarHBondContact NH2-OD2 3.41Å; L83-D85 VanDerWaalsContact CB-OD1 3.3Å; L83-D85 WeakPolarHBondContact CB-OD1 3.17Å; L83-D85 PolarHBondContact O-N 3.32Å; D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 WeakPolarHBondContact OD1-CB 3.33Å; D85-T87 PolarHBondContact OD1-N 2.86Å; D85-T87 PolarHBondContact OD1-OG1 2.65Å; D85-T87 PolarHBondContact OD2-OG1 3.42Å |
| 86 | G | 86.4 | Confident | 77.4 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 94.4 | -1.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C53 W65 L83 | C53-G86 CarbonylContact O-C 3.54Å; C53-G86 WeakPolarHBondContact O-CA 3.49Å; W65-G86 WeakPolarHBondContact CZ2-O 3.41Å; W65-G86 PolarHBondContact NE1-O 2.92Å; L83-G86 PolarHBondContact O-N 2.97Å |
| 87 | T | 90.6 | Very high | 76.8 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | trans | -76.4 | 126.4 | 178 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | R50 S52 L83 D85 L89 | R50-T87 HydrophobicContact CG-CG2 3.42Å; R50-T87 VanDerWaalsContact CG-CG2 3.42Å; R50-T87 PolarHBondContact NH2-OG1 2.81Å; S52-T87 WeakPolarHBondContact OG-CG2 3.43Å; S52-T87 PolarHBondContact OG-OG1 2.88Å; L83-T87 HydrophobicContact CD1-CG2 4.47Å; L83-T87 WeakPolarHBondContact CD1-O 3.38Å; L83-T87 PolarHBondContact N-O 2.89Å; D85-T87 VanDerWaalsContact CG-OG1 3.23Å; D85-T87 WeakPolarHBondContact OD1-CB 3.33Å; D85-T87 PolarHBondContact OD1-N 2.86Å; D85-T87 PolarHBondContact OD1-OG1 2.65Å; D85-T87 PolarHBondContact OD2-OG1 3.42Å; T87-L89 HydrophobicContact CG2-CD2 4.48Å | ||
| 88 | L | 90.1 | Very high | 76.4 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 131 | 165.2 | -163.6 | 70.5 | 0 | 0 | 0 | 110.1 | R50 M51 W65 L72 M74 H80 L82 Y112 | R50-L88 WeakPolarHBondContact CA-O 3.37Å; M51-L88 HydrophobicContact CB-CB 4.32Å; M51-L88 PolarHBondContact N-O 2.95Å; M51-L88 PolarHBondContact O-N 2.87Å; W65-L88 HydrophobicContact CB-CD2 4.18Å; W65-L88 HydrophobicContact CD2-CB 4.1Å; W65-L88 HydrophobicContact CD2-CD2 4.11Å; W65-L88 HydrophobicContact CE3-CD2 4.42Å; W65-L88 HydrophobicContact CG-CB 4.28Å; W65-L88 HydrophobicContact CG-CD1 4.27Å; W65-L88 HydrophobicContact CG-CD2 4Å; W65-L88 HydrophobicContact CG-CG 4.44Å; W65-L88 HydrophobicContact CZ2-CB 4.17Å; L72-L88 HydrophobicContact CD1-CD2 3.74Å; M74-L88 HydrophobicContact SD-CD1 4.36Å; H80-L88 HydrophobicContact CB-CD1 4.15Å; L82-L88 HydrophobicContact CB-CD1 4.37Å; L88-Y112 HydrophobicContact CD2-CD1 3.67Å; L88-Y112 HydrophobicContact CD2-CE1 3.61Å |
| 89 | L | 87.7 | Confident | 75.2 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.9 | 162.5 | -66.9 | 179 | 0 | 0 | 0 | 109.8 | A49 R50 H80 H81 L83 T87 L91 | A49-L89 VanDerWaalsContact O-CA 3.31Å; A49-L89 WeakPolarHBondContact O-CA 3.32Å; R50-L89 HydrophobicContact CB-CD2 3.79Å; R50-L89 HydrophobicContact CG-CD2 3.82Å; H80-L89 CarbonylContact C-O 3.58Å; H80-L89 WeakPolarHBondContact CA-O 3.41Å; H81-L89 PolarHBondContact N-O 3.27Å; H81-L89 PolarHBondContact O-N 3.5Å; L83-L89 HydrophobicContact CD1-CB 4.49Å; L83-L89 HydrophobicContact CD1-CD1 3.71Å; L83-L89 HydrophobicContact CD1-CG 3.66Å; T87-L89 HydrophobicContact CG2-CD2 4.48Å; L89-L91 HydrophobicContact CB-CD2 4.32Å |
| 90 | L | 85.1 | Confident | 73.6 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.8 | 160.9 | 174.9 | 63 | 0 | 0 | 0 | 106.9 | P48 A49 P79 P93 D108 L130 | P48-L90 CarbonylContact C-O 3.58Å; P48-L90 WeakPolarHBondContact CA-O 2.99Å; P48-L90 WeakPolarHBondContact CB-O 3.46Å; A49-L90 HydrophobicContact CB-CB 4.27Å; A49-L90 PolarHBondContact N-O 3.35Å; A49-L90 PolarHBondContact O-N 2.92Å; P79-L90 HydrophobicContact CB-CD1 3.81Å; P79-L90 HydrophobicContact CG-CD1 4Å; L90-P93 HydrophobicContact CD2-CB 3.94Å; L90-P93 HydrophobicContact CG-CB 4.35Å; L90-P93 WeakPolarHBondContact O-CD 3.38Å; L90-D108 HydrophobicContact CD1-CB 4.2Å; L90-D108 HydrophobicContact CD2-CB 3.81Å; L90-L130 HydrophobicContact CD2-CD2 3.81Å |
| 91 | L | 76.1 | Confident | 71.4 | Confident | 95 Ų | 95 | 70 Ų | 70 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -79.9 | -28 | -168.4 | -64.4 | 177.2 | 0 | 0 | 0 | 113.8 | P79 H81 L89 | P79-L91 PolarHBondContact O-N 3.06Å; H81-L91 HydrophobicContact CB-CD1 4.41Å; L89-L91 HydrophobicContact CB-CD2 4.32Å |
| 92 | Q | 69.8 | Low | 69.4 | Low | 162 Ų | 162 | 69.4 Ų | 69.4 | 76% | 0.757 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -132.8 | 66 | 179.5 | -67.8 | -174.2 | -37.9 | 0 | 0 | 111.2 | ||
| 93 | P | 66.2 | Low | 67.1 | Low | 13 Ų | 13 | 75.6 Ų | 75.6 | 8% | 0.084 | 43% | 0.434 | C | S | . | . | trans | -59.8 | 143.7 | 172.5 | 26.5 | -35.2 | 0 | 0 | 0 | 111 | F43 G47 A49 L90 A95 | F43-P93 HydrophobicContact CD1-CB 3.85Å; F43-P93 HydrophobicContact CD1-CG 3.97Å; F43-P93 HydrophobicContact CD2-CG 4.25Å; F43-P93 HydrophobicContact CE1-CB 3.75Å; F43-P93 HydrophobicContact CE1-CG 3.4Å; F43-P93 HydrophobicContact CE2-CB 4.47Å; F43-P93 HydrophobicContact CE2-CG 3.73Å; F43-P93 HydrophobicContact CG-CB 4.26Å; F43-P93 HydrophobicContact CG-CG 4.36Å; F43-P93 HydrophobicContact CZ-CB 4.1Å; F43-P93 HydrophobicContact CZ-CG 3.28Å; G47-P93 WeakPolarHBondContact O-CG 3.45Å; A49-P93 HydrophobicContact CB-CB 4.47Å; L90-P93 HydrophobicContact CD2-CB 3.94Å; L90-P93 HydrophobicContact CG-CB 4.35Å; L90-P93 WeakPolarHBondContact O-CD 3.38Å; P93-A95 PolarHBondContact O-N 3.4Å | ||
| 94 | P | 64.9 | Low | 64.8 | Low | 41 Ų | 41 | 77.2 Ų | 77.2 | 27% | 0.266 | 46% | 0.455 | S | S | . | . | trans | -60.8 | 119.9 | -176.5 | 22.6 | -33.8 | 0 | 0 | 0 | 112 | R96 L109 V132 | P94-R96 PolarHBondContact O-N 2.82Å; P94-L109 HydrophobicContact CG-CD1 3.96Å; P94-L109 HydrophobicContact CG-CD2 3.97Å; P94-L109 HydrophobicContact CG-CG 4.01Å; P94-V132 HydrophobicContact CG-CG2 3.92Å; P94-V132 WeakPolarHBondContact O-CG2 3.46Å | ||
| 95 | A | 57.4 | Low | 63.1 | Low | 79 Ų | 79 | 78 Ų | 78 | 65% | 0.653 | 45% | 0.45 | S | S | * | . | trans | -78.7 | 112.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P93 | P93-A95 PolarHBondContact O-N 3.4Š| ||
| 96 | R | 58.3 | Low | 61.9 | Low | 148 Ų | 148 | 76.4 Ų | 76.4 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | trans | 46.7 | 93.6 | 168 | -64.7 | -177.6 | -179.6 | 172 | -1.9 | 115.3 | P94 H98 | P94-R96 PolarHBondContact O-N 2.82Å; R96-H98 PolarHBondContact O-N 3.37Å | ||
| 97 | G | 52.4 | Low | 60.9 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | trans | -65.7 | 91.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A99 | G97-A99 PolarHBondContact O-N 2.81Å; G97-A99 VanDerWaalsContact O-N 3.12Å | ||
| 98 | H | 51 | Low | 60.1 | Low | 118 Ų | 118 | 83 Ų | 83 | 55% | 0.546 | 48% | 0.483 | S | S | . | . | trans | -65.1 | 102.2 | 150.2 | -78 | -106.7 | 0 | 0 | 0 | 106.5 | R96 H100 E137 R216 | R96-H98 PolarHBondContact O-N 3.37Å; H98-H100 PolarHBondContact O-N 2.79Å; H98-E137 IonicContact CE1-OE1 2.82Å; H98-E137 PolarHBondContact CE1-OE1 2.89Å; H98-E137 IonicContact CG-OE1 2.78Å; H98-E137 IonicContact ND1-OE1 2.72Å; H98-E137 PolarHBondContact ND1-OE1 3.34Å; H98-R216 PolarHBondContact CE1-NH2 2.83Å; H98-R216 VanDerWaalsContact CE1-NH2 3.3Å; H98-R216 PolarHBondContact ND1-NH2 2.82Å | ||
| 99 | A | 47.4 | Very low | 59.6 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | trans | -78.9 | 57.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G97 V134 R136 | G97-A99 PolarHBondContact O-N 2.81Å; G97-A99 VanDerWaalsContact O-N 3.12Å; A99-V134 HydrophobicContact CB-CG1 4.37Å; A99-R136 HydrophobicContact CB-CG 4.3Å | ||
| 100 | H | 45.2 | Very low | 59.5 | Low | 132 Ų | 132 | 83 Ų | 83 | 61% | 0.611 | 48% | 0.484 | S | S | * | . | trans | -97.7 | 118.8 | 169.1 | -140.6 | -62.6 | 0 | 0 | 0 | 107.9 | H98 | H98-H100 PolarHBondContact O-N 2.79Š| ||
| 101 | D | 38.8 | Very low | 59.7 | Low | 132 Ų | 132 | 84.9 Ų | 84.9 | 71% | 0.706 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 47.4 | 94.3 | -176 | -70.9 | -53.2 | 0 | 0 | 0 | 117.4 | Q103 | D101-Q103 WeakPolarHBondContact O-CB 3.47Å; D101-Q103 PolarHBondContact O-N 2.93Å |
| 102 | G | 43.3 | Very low | 60.5 | Low | 89 Ų | 89 | 80.4 Ų | 80.4 | 92% | 0.918 | 47% | 0.472 | S | S | * | . | trans | 57.2 | -7.8 | 132.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 103 | Q | 40.1 | Very low | 61.7 | Low | 176 Ų | 176 | 73.9 Ų | 73.9 | 82% | 0.822 | 44% | 0.443 | S | S | * | . | trans | -97 | 112.8 | -159 | -152.4 | 73.2 | -7.4 | 0 | 0 | 111.6 | D101 | D101-Q103 WeakPolarHBondContact O-CB 3.47Å; D101-Q103 PolarHBondContact O-N 2.93Å | ||
| 104 | A | 38.4 | Very low | 63 | Low | 87 Ų | 87 | 73.2 Ų | 73.2 | 72% | 0.719 | 44% | 0.439 | S | S | * | . | trans | 49.6 | 92.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S106 | A104-S106 PolarHBondContact O-N 2.9Š| ||
| 105 | L | 50.4 | Low | 64.5 | Low | 158 Ų | 158 | 72.3 Ų | 72.3 | 83% | 0.827 | 43% | 0.431 | S | S | * | . | trans | -54.7 | 112 | 151.9 | -178.3 | 74.6 | 0 | 0 | 0 | 107.8 | T107 | L105-T107 PolarHBondContact O-N 2.9Š| ||
| 106 | S | 59.7 | Low | 66.3 | Low | 26 Ų | 26 | 68.5 Ų | 68.5 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | trans | -54.4 | 131.8 | -178.7 | 156.9 | 0 | 0 | 0 | 0 | 110.5 | A104 D108 L109 | A104-S106 PolarHBondContact O-N 2.9Å; S106-D108 PolarHBondContact O-N 2.83Å; S106-D108 VanDerWaalsContact O-N 3.07Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.88Å; S106-L109 PolarHBondContact O-N 2.81Å | ||
| 107 | T | 66.6 | Low | 68 | Low | 114 Ų | 114 | 62.6 Ų | 62.6 | 70% | 0.699 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.1 | -179.8 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | L67 L105 | L67-T107 WeakPolarHBondContact CD2-O 3.33Å; L105-T107 PolarHBondContact O-N 2.9Å |
| 108 | D | 73.9 | Confident | 70 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.16 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.3 | -170.8 | -32.5 | -53.4 | 0 | 0 | 0 | 111.3 | H80 L90 S106 Y112 | H80-D108 IonicContact CE1-OD1 3.54Å; L90-D108 HydrophobicContact CD1-CB 4.2Å; L90-D108 HydrophobicContact CD2-CB 3.81Å; S106-D108 PolarHBondContact O-N 2.83Å; S106-D108 VanDerWaalsContact O-N 3.07Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.88Å; D108-Y112 WeakPolarHBondContact O-CE2 3.48Å; D108-Y112 PolarHBondContact O-OH 3.23Å |
| 109 | L | 79.6 | Confident | 72.1 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | trans | -101.2 | 138.4 | 173.2 | -58.7 | -178.2 | 0 | 0 | 0 | 110.8 | N68 P94 S106 L130 V132 | N68-L109 PolarHBondContact ND2-O 3.07Å; P94-L109 HydrophobicContact CG-CD1 3.96Å; P94-L109 HydrophobicContact CG-CD2 3.97Å; P94-L109 HydrophobicContact CG-CG 4.01Å; S106-L109 PolarHBondContact O-N 2.81Å; L109-L130 HydrophobicContact CD2-CG 4.16Å; L109-V132 HydrophobicContact CD1-CG2 3.9Å; L109-V132 HydrophobicContact CD2-CG2 3.87Å | ||
| 110 | G | 84 | Confident | 74.3 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 7% | 0.072 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151 | -161.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N68 R129 L130 | N68-G110 VanDerWaalsContact OD1-CA 3.25Å; N68-G110 WeakPolarHBondContact OD1-CA 3.34Å; G110-R129 CarbonylContact O-C 3.58Å; G110-R129 WeakPolarHBondContact O-CA 3.45Å; G110-L130 PolarHBondContact N-O 2.85Å; G110-L130 PolarHBondContact O-N 3.01Å |
| 111 | V | 90.9 | Very high | 76.6 | Confident | 44 Ų | 44 | 61 Ų | 61 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.7 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | N68 A128 | N68-V111 PolarHBondContact N-O 2.99Å; N68-V111 PolarHBondContact OD1-N 2.82Å; V111-A128 CarbonylContact C-O 3.55Å; V111-A128 WeakPolarHBondContact CA-O 3.37Å |
| 112 | Y | 92.2 | Very high | 79.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.8 | 173.5 | -72.6 | -101.8 | 0 | 0 | 0 | 110.1 | M51 W65 L66 L67 L72 H80 L88 D108 G127 A128 L130 | M51-Y112 HydrophobicContact CE-CD2 4.14Å; M51-Y112 HydrophobicContact CE-CG 4.27Å; M51-Y112 HydrophobicContact CG-CG 4.3Å; W65-Y112 HydrophobicContact CE3-CD1 4.45Å; L66-Y112 CarbonylContact O-C 3.54Å; L66-Y112 WeakPolarHBondContact O-CA 3.32Å; L67-Y112 HydrophobicContact CB-CE1 4.47Å; L67-Y112 HydrophobicContact CD1-CD1 4.4Å; L67-Y112 HydrophobicContact CD1-CD2 3.73Å; L67-Y112 HydrophobicContact CD1-CE1 4.27Å; L67-Y112 HydrophobicContact CD1-CE2 3.54Å; L67-Y112 HydrophobicContact CD1-CG 4.16Å; L67-Y112 HydrophobicContact CD2-CE1 4.28Å; L67-Y112 HydrophobicContact CD2-CE2 4.34Å; L72-Y112 HydrophobicContact CD1-CD1 4.13Å; L72-Y112 HydrophobicContact CD1-CE1 3.82Å; H80-Y112 AromaticContact NE2-CE1 3.84Å; H80-Y112 AromaticContact NE2-CZ 3.86Å; H80-Y112 PolarHBondContact NE2-OH 3.07Å; L88-Y112 HydrophobicContact CD2-CD1 3.67Å; L88-Y112 HydrophobicContact CD2-CE1 3.61Å; D108-Y112 WeakPolarHBondContact O-CE2 3.48Å; D108-Y112 PolarHBondContact O-OH 3.23Å; Y112-G127 WeakPolarHBondContact O-CA 3.39Å; Y112-A128 PolarHBondContact N-O 3.35Å; Y112-A128 PolarHBondContact O-N 2.99Å; Y112-L130 HydrophobicContact CD2-CB 3.87Å; Y112-L130 HydrophobicContact CE2-CB 3.61Å; Y112-L130 HydrophobicContact CE2-CD2 3.74Å; Y112-L130 HydrophobicContact CE2-CG 4.32Å |
| 113 | T | 94.8 | Very high | 81.7 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.5 | 167.6 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | W65 L66 V124 G127 | W65-T113 WeakPolarHBondContact CA-O 3.41Å; L66-T113 PolarHBondContact N-O 2.88Å; L66-T113 PolarHBondContact O-N 3.49Å; T113-V124 HydrophobicContact CG2-CG1 4.36Å; T113-G127 VanDerWaalsContact CG2-CA 3.43Å |
| 114 | C | 94.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.8 | 171.9 | 162.6 | 0 | 0 | 0 | 0 | 108.6 | C53 W65 V124 S125 | C53-C114 HydrophobicContact CB-CB 3.41Å; C53-C114 VanDerWaalsContact CB-CB 3.41Å; C53-C114 WeakPolarHBondContact CB-SG 3.33Å; C53-C114 WeakPolarHBondContact SG-CB 3.47Å; C53-C114 CovalentContact SG-SG 2.03Å; C53-C114 PolarHBondContact SG-SG 3.44Å; W65-C114 HydrophobicContact CD2-CB 4.18Å; W65-C114 HydrophobicContact CE3-CB 4.06Å; W65-C114 HydrophobicContact CH2-CB 3.93Å; W65-C114 HydrophobicContact CZ2-CB 4.04Å; W65-C114 HydrophobicContact CZ3-CB 3.93Å; C114-V124 CarbonylContact O-C 3.57Å; C114-V124 WeakPolarHBondContact O-CA 3.07Å; C114-S125 PolarHBondContact N-OG 2.9Å; C114-S125 PolarHBondContact O-N 2.89Å |
| 115 | E | 95.1 | Very high | 87.1 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.1 | 171.2 | 179.4 | -176 | 178.8 | 0 | 0 | 109.4 | I63 R64 L66 T122 A123 V124 | I63-E115 WeakPolarHBondContact CA-O 3.23Å; R64-E115 HydrophobicContact CG-CB 4.07Å; R64-E115 HydrophobicContact CG-CG 4.5Å; R64-E115 WeakPolarHBondContact CG-O 3.45Å; R64-E115 IonicContact CZ-OE1 2.95Å; R64-E115 VanDerWaalsContact CZ-OE1 3.24Å; R64-E115 IonicContact CZ-OE2 2.84Å; R64-E115 PolarHBondContact N-O 2.89Å; R64-E115 IonicContact NE-OE1 3.73Å; R64-E115 IonicContact NE-OE2 2.98Å; R64-E115 PolarHBondContact NE-OE2 2.88Å; R64-E115 IonicContact NH1-OE1 3.95Å; R64-E115 IonicContact NH1-OE2 3.92Å; R64-E115 PolarHBondContact NH1-OE2 3.27Å; R64-E115 IonicContact NH2-OE1 3.78Å; R64-E115 PolarHBondContact NH2-OE1 2.87Å; R64-E115 IonicContact NH2-OE2 2.78Å; R64-E115 PolarHBondContact NH2-OE2 3.03Å; R64-E115 PolarHBondContact O-N 3.43Å; L66-E115 HydrophobicContact CD1-CB 3.7Å; E115-T122 WeakPolarHBondContact OE1-CB 3.3Å; E115-T122 WeakPolarHBondContact OE1-CG2 3.45Å; E115-A123 WeakPolarHBondContact CA-O 3.08Å; E115-V124 HydrophobicContact CB-CG2 4.33Å; E115-V124 HydrophobicContact CG-CG2 4.08Å |
| 116 | A | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P32 I34 A55 P61 T62 I63 T122 A123 | P32-A116 HydrophobicContact CB-CB 4.09Å; P32-A116 WeakPolarHBondContact CG-O 3.35Å; I34-A116 HydrophobicContact CD1-CB 3.6Å; A55-A116 HydrophobicContact CB-CB 3.41Å; A55-A116 VanDerWaalsContact CB-CB 3.41Å; P61-A116 HydrophobicContact CB-CB 4.17Å; P61-A116 HydrophobicContact CG-CB 4.42Å; T62-A116 CarbonylContact O-C 3.42Å; T62-A116 WeakPolarHBondContact O-CA 3.46Å; I63-A116 HydrophobicContact CG1-CB 4.26Å; A116-T122 CarbonylContact O-C 3.54Å; A116-T122 VanDerWaalsContact O-CA 3.31Å; A116-T122 WeakPolarHBondContact O-CA 3.47Å; A116-A123 PolarHBondContact N-O 2.91Å; A116-A123 PolarHBondContact O-N 2.87Å |
| 117 | S | 94.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 135.9 | -174.2 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | P61 T62 | P61-S117 CarbonylContact C-O 3.54Å; P61-S117 VanDerWaalsContact CA-O 3.24Å; P61-S117 WeakPolarHBondContact CA-O 3.3Å; T62-S117 PolarHBondContact N-O 3.06Å; T62-S117 PolarHBondContact O-N 2.87Å; T62-S117 PolarHBondContact OG1-O 3.02Å; T62-S117 PolarHBondContact OG1-OG 2.81Å |
| 118 | N | 94.9 | Very high | 92 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | -175.6 | 167.3 | 79.9 | 7.7 | 0 | 0 | 0 | 110.7 | S30 P32 P59 P61 L120 G121 | S30-N118 PolarHBondContact O-ND2 2.93Å; P32-N118 WeakPolarHBondContact CD-OD1 3.16Å; P59-N118 WeakPolarHBondContact O-CB 3.46Å; P59-N118 PolarHBondContact O-ND2 2.86Å; P61-N118 HydrophobicContact CB-CB 4.19Å; N118-L120 PolarHBondContact O-N 2.87Å; N118-L120 WeakPolarHBondContact OD1-CB 3.45Å; N118-L120 PolarHBondContact OD1-N 3.06Å; N118-G121 PolarHBondContact N-O 2.81Å; N118-G121 PolarHBondContact O-N 2.99Å; N118-G121 VanDerWaalsContact O-O 3.13Å |
| 119 | R | 94.6 | Very high | 92.7 | Very high | 177 Ų | 177 | 47.7 Ų | 47.7 | 67% | 0.668 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -6.8 | -176.9 | 73.1 | -179.1 | 173 | -156.6 | -4.1 | 115.7 | D29 P59 | D29-R119 IonicContact OD1-CZ 2.94Å; D29-R119 IonicContact OD1-NE 3.85Å; D29-R119 IonicContact OD1-NH2 3.28Å; D29-R119 PolarHBondContact OD1-NH2 3.5Å; D29-R119 IonicContact OD2-CZ 3.85Å; D29-R119 IonicContact OD2-NE 3.04Å; D29-R119 PolarHBondContact OD2-NE 3.04Å; D29-R119 IonicContact OD2-NH2 2.76Å; D29-R119 PolarHBondContact OD2-NH2 3.14Å; P59-R119 HydrophobicContact CG-CG 4.29Å; P59-R119 VanDerWaalsContact CG-CZ 3.46Å |
| 120 | L | 93.3 | Very high | 93 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -8 | -174.8 | -52.6 | 170.8 | 0 | 0 | 0 | 112.9 | D29 P31 Q58 N118 | D29-L120 HydrophobicContact CB-CD1 3.73Å; P31-L120 HydrophobicContact CB-CB 4.34Å; Q58-L120 WeakPolarHBondContact O-CD1 3.46Å; N118-L120 PolarHBondContact O-N 2.87Å; N118-L120 WeakPolarHBondContact OD1-CB 3.45Å; N118-L120 PolarHBondContact OD1-N 3.06Å |
| 121 | G | 93.3 | Very high | 93 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -171.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P32 N118 | P32-G121 WeakPolarHBondContact CD-O 3.42Å; P32-G121 WeakPolarHBondContact CG-O 3.3Å; N118-G121 PolarHBondContact N-O 2.81Å; N118-G121 PolarHBondContact O-N 2.99Å; N118-G121 VanDerWaalsContact O-O 3.13Å |
| 122 | T | 95.3 | Very high | 92.5 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 52% | 0.521 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.9 | 174.7 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | E115 A116 | E115-T122 WeakPolarHBondContact OE1-CB 3.3Å; E115-T122 WeakPolarHBondContact OE1-CG2 3.45Å; A116-T122 CarbonylContact O-C 3.54Å; A116-T122 VanDerWaalsContact O-CA 3.31Å; A116-T122 WeakPolarHBondContact O-CA 3.47Å |
| 123 | A | 95.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 134.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | P32 I34 E115 A116 | P32-A123 HydrophobicContact CB-CB 3.99Å; P32-A123 HydrophobicContact CG-CB 3.97Å; P32-A123 VanDerWaalsContact O-CB 3.32Å; P32-A123 WeakPolarHBondContact O-CB 3.41Å; I34-A123 HydrophobicContact CD1-CB 4.35Å; I34-A123 HydrophobicContact CG1-CB 4.27Å; E115-A123 WeakPolarHBondContact CA-O 3.08Å; A116-A123 PolarHBondContact N-O 2.91Å; A116-A123 PolarHBondContact O-N 2.87Å |
| 124 | V | 95.4 | Very high | 91.5 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.9 | -177 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | T113 C114 E115 | T113-V124 HydrophobicContact CG2-CG1 4.36Å; C114-V124 CarbonylContact O-C 3.57Å; C114-V124 WeakPolarHBondContact O-CA 3.07Å; E115-V124 HydrophobicContact CB-CG2 4.33Å; E115-V124 HydrophobicContact CG-CG2 4.08Å |
| 125 | S | 95.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 162.9 | 176.4 | 78.3 | 0 | 0 | 0 | 0 | 111.7 | P38 C114 G127 | P38-S125 WeakPolarHBondContact CD-OG 3.24Å; C114-S125 PolarHBondContact N-OG 2.9Å; C114-S125 PolarHBondContact O-N 2.89Å; S125-G127 PolarHBondContact O-N 2.83Å |
| 126 | R | 94.9 | Very high | 90.7 | Very high | 173 Ų | 173 | 49.9 Ų | 49.9 | 65% | 0.653 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 140.7 | 155.4 | -59.2 | -172.4 | -60.4 | -150.8 | 1.6 | 108.8 | H37 | H37-R126 HydrophobicContact CB-CB 4.42Å; H37-R126 PolarHBondContact ND1-N 3.36Å |
| 127 | G | 92 | Very high | 90.1 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 142.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y112 T113 S125 | Y112-G127 WeakPolarHBondContact O-CA 3.39Å; T113-G127 VanDerWaalsContact CG2-CA 3.43Å; S125-G127 PolarHBondContact O-N 2.83Å |
| 128 | A | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P38 D40 M51 V111 Y112 | P38-A128 HydrophobicContact CB-CB 3.56Å; P38-A128 HydrophobicContact CG-CB 3.67Å; D40-A128 VanDerWaalsContact OD1-CA 3.29Å; D40-A128 WeakPolarHBondContact OD1-CA 3.43Å; M51-A128 HydrophobicContact CE-CB 3.61Å; V111-A128 CarbonylContact C-O 3.55Å; V111-A128 WeakPolarHBondContact CA-O 3.37Å; Y112-A128 PolarHBondContact N-O 3.35Å; Y112-A128 PolarHBondContact O-N 2.99Å |
| 129 | R | 88.8 | Confident | 89.7 | Confident | 123 Ų | 123 | 56.4 Ų | 56.4 | 46% | 0.464 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.4 | -178.3 | -174.2 | 174.4 | -64.2 | -79.8 | -0.8 | 111.1 | D40 Q41 G110 | D40-R129 CarbonylContact C-O 3.53Å; D40-R129 WeakPolarHBondContact CA-O 3.44Å; D40-R129 PolarHBondContact OD1-N 3.36Å; Q41-R129 PolarHBondContact N-O 3.08Å; G110-R129 CarbonylContact O-C 3.58Å; G110-R129 WeakPolarHBondContact O-CA 3.45Å |
| 130 | L | 86.3 | Confident | 89.7 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.4 | 160 | -176.1 | 58.9 | 0 | 0 | 0 | 108.2 | Q41 A49 M51 L90 L109 G110 Y112 | Q41-L130 HydrophobicContact CB-CD1 3.95Å; Q41-L130 HydrophobicContact CG-CD1 4.25Å; A49-L130 HydrophobicContact CB-CD1 3.85Å; A49-L130 HydrophobicContact CB-CD2 4.11Å; M51-L130 HydrophobicContact CE-CB 4.43Å; L90-L130 HydrophobicContact CD2-CD2 3.81Å; L109-L130 HydrophobicContact CD2-CG 4.16Å; G110-L130 PolarHBondContact N-O 2.85Å; G110-L130 PolarHBondContact O-N 3.01Å; Y112-L130 HydrophobicContact CD2-CB 3.87Å; Y112-L130 HydrophobicContact CE2-CB 3.61Å; Y112-L130 HydrophobicContact CE2-CD2 3.74Å; Y112-L130 HydrophobicContact CE2-CG 4.32Å |
| 131 | S | 83.5 | Confident | 89.7 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.6 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | Q41 L42 F43 H164 | Q41-S131 PolarHBondContact O-N 3.2Å; L42-S131 CarbonylContact C-O 3.51Å; L42-S131 WeakPolarHBondContact CA-O 3.45Å; F43-S131 PolarHBondContact N-O 3.21Å; S131-H164 WeakPolarHBondContact CB-NE2 3.48Å; S131-H164 PolarHBondContact OG-NE2 2.85Å |
| 132 | V | 81 | Confident | 89.7 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 147.4 | 171.7 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | P94 L109 V134 | P94-V132 HydrophobicContact CG-CG2 3.92Å; P94-V132 WeakPolarHBondContact O-CG2 3.46Å; L109-V132 HydrophobicContact CD1-CG2 3.9Å; L109-V132 HydrophobicContact CD2-CG2 3.87Å; V132-V134 PolarHBondContact O-N 2.99Å |
| 133 | A | 82.9 | Confident | 89.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | trans | -67 | 128.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | L42 F43 Q44 H164 S212 A213 | L42-A133 HydrophobicContact CD1-CB 4.1Å; L42-A133 HydrophobicContact CG-CB 4.46Å; F43-A133 PolarHBondContact O-N 2.84Å; Q44-A133 HydrophobicContact CG-CB 4.14Å; A133-H164 VanDerWaalsContact CA-O 3.31Å; A133-H164 WeakPolarHBondContact CA-O 3.45Å; A133-S212 WeakPolarHBondContact CB-OG 3.42Å; A133-A213 HydrophobicContact CB-CB 3.86Å; A133-A213 WeakPolarHBondContact O-CB 3.46Å | ||
| 134 | V | 82.6 | Confident | 89.7 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.3 | -179.5 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | A99 V132 W162 G163 H164 N211 | A99-V134 HydrophobicContact CB-CG1 4.37Å; V132-V134 PolarHBondContact O-N 2.99Å; V134-W162 HydrophobicContact CB-CZ3 4.27Å; V134-W162 HydrophobicContact CG1-CE3 4.47Å; V134-W162 HydrophobicContact CG1-CZ3 3.85Å; V134-G163 CarbonylContact O-C 3.51Å; V134-G163 WeakPolarHBondContact O-CA 3.4Å; V134-H164 PolarHBondContact N-O 2.97Å; V134-H164 PolarHBondContact O-N 2.91Å; V134-N211 PolarHBondContact O-ND2 3.33Å |
| 135 | L | 86.1 | Confident | 89.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 120.2 | 167.4 | -177.1 | 60.1 | 0 | 0 | 0 | 107.6 | P161 P167 A213 G214 R216 | L135-P161 HydrophobicContact CD1-CB 4.12Å; L135-P167 HydrophobicContact CD1-CB 3.91Å; L135-P167 HydrophobicContact CD1-CG 3.86Å; L135-A213 HydrophobicContact CB-CB 4.01Å; L135-G214 WeakPolarHBondContact CD2-O 3.45Å; L135-R216 HydrophobicContact CD2-CB 4.41Å; L135-R216 HydrophobicContact CD2-CG 3.93Å; L135-R216 HydrophobicContact CG-CG 4.11Å |
| 136 | R | 86.7 | Confident | 89.2 | Confident | 107 Ų | 107 | 63.7 Ų | 63.7 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | trans | -70.2 | 163.8 | 173.7 | -76.9 | -171.8 | 63.2 | 172.5 | -1.7 | 111.1 | A99 D138 P161 W162 | A99-R136 HydrophobicContact CB-CG 4.3Å; R136-D138 IonicContact CZ-OD2 3.84Å; R136-D138 IonicContact NE-OD2 3.37Å; R136-D138 PolarHBondContact NE-OD2 2.89Å; R136-D138 IonicContact NH2-OD2 3.74Å; R136-D138 PolarHBondContact NH2-OD2 3.24Å; R136-P161 HydrophobicContact CB-CB 4.19Å; R136-P161 WeakPolarHBondContact O-CB 3.38Å; R136-W162 WeakPolarHBondContact CB-O 3.49Å; R136-W162 HydrophobicContact CG-CE3 4.32Å; R136-W162 PolarHBondContact N-O 2.9Å | ||
| 137 | E | 83.8 | Confident | 88.9 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -93.7 | -32.8 | -176.5 | -40.6 | -153.1 | 140.5 | 0 | 0 | 110.8 | H98 F139 R216 | H98-E137 IonicContact CE1-OE1 2.82Å; H98-E137 PolarHBondContact CE1-OE1 2.89Å; H98-E137 IonicContact CG-OE1 2.78Å; H98-E137 IonicContact ND1-OE1 2.72Å; H98-E137 PolarHBondContact ND1-OE1 3.34Å; E137-F139 PolarHBondContact O-N 2.04Å; E137-R216 IonicContact OE1-CZ 2.71Å; E137-R216 IonicContact OE1-NE 3.22Å; E137-R216 IonicContact OE1-NH2 2.68Å; E137-R216 PolarHBondContact OE1-NH2 3.31Å |
| 138 | D | 87.8 | Confident | 88.8 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -71.6 | 117.2 | 176.3 | -37.6 | -77.6 | 0 | 0 | 0 | 112.2 | R136 P161 | R136-D138 IonicContact CZ-OD2 3.84Å; R136-D138 IonicContact NE-OD2 3.37Å; R136-D138 PolarHBondContact NE-OD2 2.89Å; R136-D138 IonicContact NH2-OD2 3.74Å; R136-D138 PolarHBondContact NH2-OD2 3.24Å; D138-P161 VanDerWaalsContact O-CA 3.23Å; D138-P161 WeakPolarHBondContact O-CA 3.46Å; D138-P161 VanDerWaalsContact O-CB 3.24Å; D138-P161 WeakPolarHBondContact O-CB 3.4Å |
| 139 | F | 93.4 | Very high | 88.7 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | trans | -68.1 | 133.3 | 162.6 | -83.4 | -106.9 | 0 | 0 | 0 | 110.2 | E137 Q142 P161 C207 A209 R216 E217 | E137-F139 PolarHBondContact O-N 2.04Å; F139-Q142 HydrophobicContact CB-CG 3.71Å; F139-P161 HydrophobicContact CD1-CG 4.37Å; F139-P161 HydrophobicContact CD2-CG 3.65Å; F139-P161 HydrophobicContact CE1-CG 4.48Å; F139-P161 HydrophobicContact CE2-CG 3.78Å; F139-P161 HydrophobicContact CG-CG 3.96Å; F139-P161 HydrophobicContact CZ-CG 4.21Å; F139-C207 VanDerWaalsContact CE1-SG 3.54Å; F139-A209 HydrophobicContact CE1-CB 4.12Å; F139-A209 HydrophobicContact CZ-CB 4Å; F139-R216 HydrophobicContact CE2-CB 3.89Å; F139-R216 HydrophobicContact CZ-CB 4.44Å; F139-E217 WeakPolarHBondContact CE2-O 3.47Å | ||
| 140 | Q | 92.9 | Very high | 88.8 | Confident | 139 Ų | 139 | 57 Ų | 57 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -65.9 | -38.1 | 178.5 | -67.3 | 178.3 | 89.7 | 0 | 0 | 112.1 | G159 P160 | Q140-G159 PolarHBondContact N-O 3Å; Q140-P160 WeakPolarHBondContact CG-O 3.41Å; Q140-P160 PolarHBondContact NE2-O 2.8Å |
| 141 | I | 93.5 | Very high | 88.9 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -136.6 | 120.5 | 169.2 | -54.6 | 174.1 | 0 | 0 | 0 | 107.3 | E157 G159 | I141-E157 HydrophobicContact CG2-CB 4.1Å; I141-G159 PolarHBondContact N-O 3.4Å; I141-G159 VanDerWaalsContact N-O 3.09Å; I141-G159 PolarHBondContact O-N 3.45Å |
| 142 | Q | 94.4 | Very high | 89.1 | Confident | 86 Ų | 86 | 62.7 Ų | 62.7 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | trans | -88.9 | 142.8 | 172.3 | -68.8 | -171.4 | 48.1 | 0 | 0 | 110.7 | F139 R219 | F139-Q142 HydrophobicContact CB-CG 3.71Å; Q142-R219 HydrophobicContact CB-CG 4.38Å; Q142-R219 VanDerWaalsContact OE1-CG 3.25Å | ||
| 143 | P | 95.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | trans | -61.6 | 160.4 | 176 | 28.4 | -35.7 | 0 | 0 | 0 | 111.3 | E157 W171 S218 R219 A221 | P143-E157 WeakPolarHBondContact CA-O 3.44Å; P143-E157 WeakPolarHBondContact CB-O 3.49Å; P143-W171 HydrophobicContact CB-CH2 4.01Å; P143-W171 HydrophobicContact CB-CZ3 4.36Å; P143-W171 HydrophobicContact CG-CH2 4.46Å; P143-S218 WeakPolarHBondContact CG-OG 3.42Å; P143-R219 VanDerWaalsContact O-CZ 3.24Å; P143-R219 PolarHBondContact O-NE 2.84Å; P143-R219 PolarHBondContact O-NH2 2.82Å; P143-A221 HydrophobicContact CB-CB 3.76Å; P143-A221 HydrophobicContact CG-CB 4.09Å | ||
| 144 | R | 95.1 | Very high | 90.1 | Very high | 168 Ų | 168 | 68.6 Ų | 68.6 | 63% | 0.634 | 34% | 0.343 | S | S | * | . | trans | -129.1 | 149.5 | -175.3 | -53.2 | -170.8 | 176.8 | -168.6 | -0.1 | 110.6 | M146 A221 | R144-M146 WeakPolarHBondContact O-CG 3.31Å; R144-M146 PolarHBondContact O-N 3.44Å; R144-A221 WeakPolarHBondContact O-CB 3.47Å | ||
| 145 | D | 92.2 | Very high | 90.7 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | trans | -58.3 | 133.8 | 171.9 | -64.8 | 0.6 | 0 | 0 | 0 | 108.9 | A221 R222 | D145-A221 WeakPolarHBondContact OD1-CA 3.19Å; D145-R222 CarbonylContact C-O 3.58Å; D145-R222 VanDerWaalsContact CA-O 3.25Å; D145-R222 WeakPolarHBondContact CA-O 3.31Å; D145-R222 HydrophobicContact CB-CB 4.42Å; D145-R222 PolarHBondContact OD1-N 3.06Å | ||
| 146 | M | 87.8 | Confident | 91.2 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.3 | -174.8 | -72.8 | -171 | 77.7 | 0 | 0 | 111.2 | R144 L154 T155 L156 R222 V223 S224 | R144-M146 WeakPolarHBondContact O-CG 3.31Å; R144-M146 PolarHBondContact O-N 3.44Å; M146-L154 HydrophobicContact CB-CD1 3.93Å; M146-L154 HydrophobicContact CE-CD1 3.5Å; M146-L154 HydrophobicContact CG-CD1 4.4Å; M146-L154 HydrophobicContact SD-CD1 3.61Å; M146-T155 VanDerWaalsContact SD-O 3.33Å; M146-L156 HydrophobicContact CG-CD2 4.31Å; M146-L156 HydrophobicContact SD-CD2 3.94Å; M146-R222 PolarHBondContact N-O 3.01Å; M146-V223 WeakPolarHBondContact O-CA 3.28Å; M146-S224 PolarHBondContact O-N 2.66Å |
| 147 | V | 90 | Very high | 91.6 | Very high | 90 Ų | 90 | 69.6 Ų | 69.6 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132 | 171 | -170.4 | 0 | 0 | 0 | 0 | 106.9 | S224 Q226 | V147-S224 WeakPolarHBondContact CA-O 3.46Å; V147-Q226 HydrophobicContact CG1-CG 3.76Å |
| 148 | A | 89.6 | Confident | 92.2 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L154 A197 S224 I225 Q226 | A148-L154 HydrophobicContact CB-CB 4.44Å; A148-L154 HydrophobicContact CB-CD1 4.34Å; A148-L154 HydrophobicContact CB-CD2 4.39Å; A148-A197 HydrophobicContact CB-CB 4.4Å; A148-S224 PolarHBondContact N-O 2.79Å; A148-S224 VanDerWaalsContact N-O 3.16Å; A148-I225 HydrophobicContact CB-CD1 3.97Å; A148-I225 CarbonylContact O-C 3.56Å; A148-I225 WeakPolarHBondContact O-CA 3.23Å; A148-Q226 PolarHBondContact O-N 2.68Å |
| 149 | V | 89.7 | Confident | 92.6 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 146.1 | 175.2 | -176 | 0 | 0 | 0 | 0 | 109.8 | G151 E152 Q226 P228 | V149-G151 PolarHBondContact O-N 2.95Å; V149-E152 HydrophobicContact CB-CG 3.99Å; V149-E152 WeakPolarHBondContact CB-OE2 3.34Å; V149-E152 PolarHBondContact N-OE2 3.36Å; V149-E152 WeakPolarHBondContact O-CB 3.43Å; V149-E152 PolarHBondContact O-N 3.31Å; V149-Q226 CarbonylContact C-O 3.52Å; V149-Q226 WeakPolarHBondContact CA-O 3.35Å; V149-P228 HydrophobicContact CG1-CB 3.91Å; V149-P228 HydrophobicContact CG1-CG 3.76Å |
| 150 | V | 90.4 | Very high | 92.7 | Very high | 53 Ų | 53 | 62 Ų | 62 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 125.3 | 174.8 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | A197 K199 I225 Q226 | V150-A197 CarbonylContact C-O 3.47Å; V150-A197 WeakPolarHBondContact CA-O 3.39Å; V150-K199 HydrophobicContact CG2-CG 4.06Å; V150-I225 HydrophobicContact CG2-CG2 3.63Å; V150-Q226 PolarHBondContact N-O 2.73Å |
| 151 | G | 88.4 | Confident | 92.7 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -15.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V149 A197 | V149-G151 PolarHBondContact O-N 2.95Å; G151-A197 PolarHBondContact N-O 2.97Å |
| 152 | E | 88.8 | Confident | 92.5 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -73.6 | 159.3 | 177 | -66.8 | -172.8 | 136.6 | 0 | 0 | 112.9 | V149 R196 A197 | V149-E152 HydrophobicContact CB-CG 3.99Å; V149-E152 WeakPolarHBondContact CB-OE2 3.34Å; V149-E152 PolarHBondContact N-OE2 3.36Å; V149-E152 WeakPolarHBondContact O-CB 3.43Å; V149-E152 PolarHBondContact O-N 3.31Å; E152-R196 CarbonylContact O-C 3.55Å; E152-R196 WeakPolarHBondContact O-CA 3.45Å; E152-A197 PolarHBondContact O-N 3.46Å |
| 153 | Q | 91.7 | Very high | 92.2 | Very high | 137 Ų | 137 | 54.9 Ų | 54.9 | 64% | 0.64 | 28% | 0.281 | S | S | * | . | trans | -85.7 | 127.8 | 173.1 | -173.9 | -174.3 | -80.7 | 0 | 0 | 110.1 | L193 | Q153-L193 HydrophobicContact CG-CD1 3.58Š| ||
| 154 | L | 92.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.8 | -176.7 | 173.2 | 60.6 | 0 | 0 | 0 | 110.8 | M146 A148 M194 V223 I225 | M146-L154 HydrophobicContact CB-CD1 3.93Å; M146-L154 HydrophobicContact CE-CD1 3.5Å; M146-L154 HydrophobicContact CG-CD1 4.4Å; M146-L154 HydrophobicContact SD-CD1 3.61Å; A148-L154 HydrophobicContact CB-CB 4.44Å; A148-L154 HydrophobicContact CB-CD1 4.34Å; A148-L154 HydrophobicContact CB-CD2 4.39Å; L154-M194 HydrophobicContact CB-CB 4.36Å; L154-M194 HydrophobicContact CD2-CE 3.56Å; L154-M194 HydrophobicContact CG-CE 3.87Å; L154-M194 PolarHBondContact N-O 3Å; L154-M194 PolarHBondContact O-N 3.48Å; L154-V223 HydrophobicContact CD2-CG1 3.64Å; L154-V223 HydrophobicContact CD2-CG2 4.17Å; L154-I225 HydrophobicContact CD2-CD1 4.26Å |
| 155 | T | 95.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.3 | 176.7 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | M146 L192 L193 | M146-T155 VanDerWaalsContact SD-O 3.33Å; T155-L192 CarbonylContact C-O 3.6Å; T155-L192 WeakPolarHBondContact CA-O 3.14Å; T155-L193 WeakPolarHBondContact OG1-CD1 3.35Å |
| 156 | L | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 108.3 | 169.1 | -69.3 | 173.4 | 0 | 0 | 0 | 109.4 | M146 W171 S191 L192 M194 Y205 V223 | M146-L156 HydrophobicContact CG-CD2 4.31Å; M146-L156 HydrophobicContact SD-CD2 3.94Å; L156-W171 HydrophobicContact CB-CH2 3.53Å; L156-W171 HydrophobicContact CB-CZ2 4.19Å; L156-W171 HydrophobicContact CB-CZ3 3.95Å; L156-W171 HydrophobicContact CD1-CH2 4.38Å; L156-W171 HydrophobicContact CD1-CZ3 3.93Å; L156-W171 WeakPolarHBondContact O-CZ2 3.29Å; L156-S191 CarbonylContact O-C 3.5Å; L156-S191 VanDerWaalsContact O-CA 3.3Å; L156-S191 WeakPolarHBondContact O-CA 3.08Å; L156-S191 WeakPolarHBondContact O-CB 3.08Å; L156-L192 HydrophobicContact CB-CB 4.46Å; L156-L192 HydrophobicContact CD1-CD2 4.44Å; L156-L192 PolarHBondContact N-O 2.82Å; L156-L192 PolarHBondContact O-N 3.41Å; L156-M194 HydrophobicContact CD1-CE 3.83Å; L156-M194 HydrophobicContact CG-CE 4.16Å; L156-Y205 HydrophobicContact CD1-CD1 3.59Å; L156-Y205 HydrophobicContact CD1-CD2 4.27Å; L156-Y205 HydrophobicContact CD1-CE1 4.33Å; L156-Y205 HydrophobicContact CD1-CG 3.54Å; L156-V223 HydrophobicContact CD1-CG2 3.85Å; L156-V223 HydrophobicContact CD2-CG2 3.95Å; L156-V223 HydrophobicContact CG-CG2 4.3Å |
| 157 | E | 95.9 | Very high | 91.5 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | trans | -69.8 | 133.7 | 178.4 | -62.6 | -171.3 | 148.6 | 0 | 0 | 111.9 | I141 P143 S191 | I141-E157 HydrophobicContact CG2-CB 4.1Å; P143-E157 WeakPolarHBondContact CA-O 3.44Å; P143-E157 WeakPolarHBondContact CB-O 3.49Å; E157-S191 WeakPolarHBondContact CA-OG 3.44Å | ||
| 158 | C | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | trans | -146.8 | 112.3 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | W171 G190 S191 C207 | C158-W171 HydrophobicContact CB-CH2 3.87Å; C158-W171 HydrophobicContact CB-CZ2 3.4Å; C158-G190 CarbonylContact O-C 3.33Å; C158-G190 VanDerWaalsContact O-C 3.23Å; C158-G190 WeakPolarHBondContact O-CA 3.35Å; C158-S191 PolarHBondContact N-OG 3.22Å; C158-S191 VanDerWaalsContact N-OG 3.15Å; C158-S191 PolarHBondContact O-N 3.49Å; C158-C207 HydrophobicContact CB-CB 3.7Å; C158-C207 WeakPolarHBondContact CB-SG 3.25Å; C158-C207 WeakPolarHBondContact SG-CB 3.41Å; C158-C207 CovalentContact SG-SG 2.03Å; C158-C207 PolarHBondContact SG-SG 2.98Å | ||
| 159 | G | 95.8 | Very high | 92 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -97.4 | 106.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q140 I141 | Q140-G159 PolarHBondContact N-O 3Å; I141-G159 PolarHBondContact N-O 3.4Å; I141-G159 VanDerWaalsContact N-O 3.09Å; I141-G159 PolarHBondContact O-N 3.45Å |
| 160 | P | 94.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 162.2 | -174.8 | 25.3 | -34.6 | 0 | 0 | 0 | 112.4 | Q140 P167 V169 A209 | Q140-P160 WeakPolarHBondContact CG-O 3.41Å; Q140-P160 PolarHBondContact NE2-O 2.8Å; P160-P167 HydrophobicContact CB-CG 4.11Å; P160-V169 HydrophobicContact CB-CG2 3.65Å; P160-V169 HydrophobicContact CG-CG2 3.69Å; P160-A209 HydrophobicContact CB-CB 3.73Å |
| 161 | P | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 150.3 | 171.2 | -19.5 | 32.4 | 0 | 0 | 0 | 111.3 | L135 R136 D138 F139 G163 P167 R216 | L135-P161 HydrophobicContact CD1-CB 4.12Å; R136-P161 HydrophobicContact CB-CB 4.19Å; R136-P161 WeakPolarHBondContact O-CB 3.38Å; D138-P161 VanDerWaalsContact O-CA 3.23Å; D138-P161 WeakPolarHBondContact O-CA 3.46Å; D138-P161 VanDerWaalsContact O-CB 3.24Å; D138-P161 WeakPolarHBondContact O-CB 3.4Å; F139-P161 HydrophobicContact CD1-CG 4.37Å; F139-P161 HydrophobicContact CD2-CG 3.65Å; F139-P161 HydrophobicContact CE1-CG 4.48Å; F139-P161 HydrophobicContact CE2-CG 3.78Å; F139-P161 HydrophobicContact CG-CG 3.96Å; F139-P161 HydrophobicContact CZ-CG 4.21Å; P161-G163 PolarHBondContact O-N 2.89Å; P161-P167 VanDerWaalsContact O-CG 3.29Å; P161-P167 WeakPolarHBondContact O-CG 3.46Å; P161-R216 HydrophobicContact CG-CB 4.21Å |
| 162 | W | 91 | Very high | 93 | Very high | 146 Ų | 146 | 56.9 Ų | 56.9 | 55% | 0.553 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 135.8 | 170.2 | -179.2 | 89.6 | 0 | 0 | 0 | 110.3 | V134 R136 H164 | V134-W162 HydrophobicContact CB-CZ3 4.27Å; V134-W162 HydrophobicContact CG1-CE3 4.47Å; V134-W162 HydrophobicContact CG1-CZ3 3.85Å; R136-W162 WeakPolarHBondContact CB-O 3.49Å; R136-W162 HydrophobicContact CG-CE3 4.32Å; R136-W162 PolarHBondContact N-O 2.9Å; W162-H164 HydrophobicContact CH2-CB 4.23Å; W162-H164 HydrophobicContact CZ2-CB 4.46Å |
| 163 | G | 87.5 | Confident | 93.3 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 160.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V134 P161 P165 | V134-G163 CarbonylContact O-C 3.51Å; V134-G163 WeakPolarHBondContact O-CA 3.4Å; P161-G163 PolarHBondContact O-N 2.89Å; G163-P165 CarbonylContact C-O 3.57Å; G163-P165 VanDerWaalsContact C-O 3.25Å; G163-P165 CarbonylContact O-C 3.58Å |
| 164 | H | 83 | Confident | 93.4 | Very high | 100 Ų | 100 | 51.4 Ų | 51.4 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 118.5 | 172.4 | 178.7 | 69.8 | 0 | 0 | 0 | 109.3 | S131 A133 V134 W162 | S131-H164 WeakPolarHBondContact CB-NE2 3.48Å; S131-H164 PolarHBondContact OG-NE2 2.85Å; A133-H164 VanDerWaalsContact CA-O 3.31Å; A133-H164 WeakPolarHBondContact CA-O 3.45Å; V134-H164 PolarHBondContact N-O 2.97Å; V134-H164 PolarHBondContact O-N 2.91Å; W162-H164 HydrophobicContact CH2-CB 4.23Å; W162-H164 HydrophobicContact CZ2-CB 4.46Å |
| 165 | P | 88.2 | Confident | 93.4 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 31% | 0.312 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -58.4 | 161.6 | -8.4 | -22.4 | 35.1 | 0 | 0 | 0 | 112.8 | L42 G163 N211 S212 | L42-P165 HydrophobicContact CD2-CG 3.48Å; L42-P165 VanDerWaalsContact CD2-CG 3.48Å; G163-P165 CarbonylContact C-O 3.57Å; G163-P165 VanDerWaalsContact C-O 3.25Å; G163-P165 CarbonylContact O-C 3.58Å; P165-N211 WeakPolarHBondContact O-CB 3.46Å; P165-N211 PolarHBondContact O-ND2 3.2Å; P165-S212 WeakPolarHBondContact CD-OG 3.4Å |
| 166 | E | 89.3 | Confident | 93.3 | Very high | 171 Ų | 171 | 59.3 Ų | 59.3 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 130.4 | 178 | -170.9 | 173.6 | -175.9 | 0 | 0 | 110.8 | ||
| 167 | P | 93.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 8% | 0.078 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 134.4 | -173.4 | 29.4 | -34.1 | 0 | 0 | 0 | 113.1 | L135 P160 P161 A209 A210 N211 | L135-P167 HydrophobicContact CD1-CB 3.91Å; L135-P167 HydrophobicContact CD1-CG 3.86Å; P160-P167 HydrophobicContact CB-CG 4.11Å; P161-P167 VanDerWaalsContact O-CG 3.29Å; P161-P167 WeakPolarHBondContact O-CG 3.46Å; P167-A209 HydrophobicContact CB-CB 4.25Å; P167-A210 CarbonylContact C-O 3.58Å; P167-A210 VanDerWaalsContact CA-O 3.26Å; P167-A210 WeakPolarHBondContact CA-O 3.36Å; P167-N211 HydrophobicContact CB-CB 4.16Å |
| 168 | T | 94.7 | Very high | 93.2 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 66% | 0.656 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.8 | 169.6 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | A209 A210 | T168-A209 WeakPolarHBondContact O-CA 3.35Å; T168-A210 PolarHBondContact N-O 3.01Å; T168-A210 PolarHBondContact O-N 2.81Å; T168-A210 PolarHBondContact OG1-O 2.9Å |
| 169 | V | 95.7 | Very high | 93 | Very high | 31 Ų | 31 | 65.3 Ų | 65.3 | 19% | 0.188 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.6 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | P160 C207 A209 | P160-V169 HydrophobicContact CB-CG2 3.65Å; P160-V169 HydrophobicContact CG-CG2 3.69Å; V169-C207 HydrophobicContact CG1-CB 3.93Å; V169-A209 HydrophobicContact CG2-CB 4.41Å |
| 170 | S | 95.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 154.5 | 166.7 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | C207 V208 | S170-C207 WeakPolarHBondContact O-CA 3.27Å; S170-V208 PolarHBondContact N-O 3.03Å; S170-V208 PolarHBondContact O-N 2.85Å; S170-V208 PolarHBondContact OG-O 3.2Å |
| 171 | W | 97.2 | Very high | 92.5 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146 | 175.6 | -79 | 82.9 | 0 | 0 | 0 | 110.8 | P143 L156 C158 L178 G190 L192 Y205 C207 | P143-W171 HydrophobicContact CB-CH2 4.01Å; P143-W171 HydrophobicContact CB-CZ3 4.36Å; P143-W171 HydrophobicContact CG-CH2 4.46Å; L156-W171 HydrophobicContact CB-CH2 3.53Å; L156-W171 HydrophobicContact CB-CZ2 4.19Å; L156-W171 HydrophobicContact CB-CZ3 3.95Å; L156-W171 HydrophobicContact CD1-CH2 4.38Å; L156-W171 HydrophobicContact CD1-CZ3 3.93Å; L156-W171 WeakPolarHBondContact O-CZ2 3.29Å; C158-W171 HydrophobicContact CB-CH2 3.87Å; C158-W171 HydrophobicContact CB-CZ2 3.4Å; W171-L178 HydrophobicContact CB-CB 4.18Å; W171-L178 HydrophobicContact CB-CD2 4.07Å; W171-L178 WeakPolarHBondContact O-CB 3.26Å; W171-L178 PolarHBondContact O-N 2.66Å; W171-G190 PolarHBondContact NE1-O 2.87Å; W171-L192 HydrophobicContact CB-CD2 4.31Å; W171-L192 HydrophobicContact CD2-CB 3.72Å; W171-L192 HydrophobicContact CD2-CD2 4.02Å; W171-L192 VanDerWaalsContact CE2-CB 3.42Å; W171-L192 HydrophobicContact CE3-CB 4.37Å; W171-L192 HydrophobicContact CE3-CD2 4.22Å; W171-L192 HydrophobicContact CG-CB 3.97Å; W171-L192 HydrophobicContact CG-CD2 4.07Å; W171-L192 HydrophobicContact CH2-CB 4.45Å; W171-L192 HydrophobicContact CZ2-CB 3.81Å; W171-Y205 HydrophobicContact CE3-CD1 4.48Å; W171-C207 HydrophobicContact CD2-CB 3.94Å; W171-C207 HydrophobicContact CE3-CB 4.09Å; W171-C207 HydrophobicContact CH2-CB 4Å; W171-C207 HydrophobicContact CZ2-CB 3.82Å; W171-C207 HydrophobicContact CZ3-CB 4.11Å |
| 172 | W | 96.8 | Very high | 92.3 | Very high | 78 Ų | 78 | 78.5 Ų | 78.5 | 30% | 0.295 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.6 | 177.7 | -71.7 | 63.2 | 0 | 0 | 0 | 108.7 | K176 P177 Y205 M206 V208 | W172-K176 CarbonylContact C-O 3.51Å; W172-K176 WeakPolarHBondContact CA-O 3.22Å; W172-K176 WeakPolarHBondContact CB-O 3.29Å; W172-P177 HydrophobicContact CD2-CB 4.3Å; W172-P177 HydrophobicContact CZ2-CB 4.26Å; W172-Y205 CarbonylContact O-C 3.49Å; W172-Y205 VanDerWaalsContact O-CA 3.31Å; W172-Y205 WeakPolarHBondContact O-CA 3.26Å; W172-M206 HydrophobicContact CB-CB 4.44Å; W172-M206 PolarHBondContact N-O 3.29Å; W172-M206 PolarHBondContact O-N 3.49Å; W172-V208 VanDerWaalsContact CD1-CG2 3.4Å; W172-V208 HydrophobicContact CG-CG2 4.07Å |
| 173 | K | 96.2 | Very high | 92 | Very high | 33 Ų | 33 | 75.2 Ų | 75.2 | 14% | 0.143 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.5 | 175.4 | 172.9 | 173.1 | -172.8 | 150.7 | 0 | 108.8 | G175 K176 L178 S200 D201 A202 A204 Y205 | K173-G175 PolarHBondContact O-N 3.47Å; K173-G175 VanDerWaalsContact O-N 3.14Å; K173-K176 PolarHBondContact N-O 3.09Å; K173-K176 PolarHBondContact O-N 3.31Å; K173-K176 VanDerWaalsContact O-O 3.11Å; K173-L178 HydrophobicContact CB-CD1 4.11Å; K173-L178 HydrophobicContact CD-CD1 4.44Å; K173-S200 PolarHBondContact NZ-O 3.02Å; K173-D201 VanDerWaalsContact NZ-CA 3.33Å; K173-D201 PolarHBondContact NZ-O 2.98Å; K173-A202 VanDerWaalsContact CE-O 3.28Å; K173-A202 WeakPolarHBondContact CE-O 3.42Å; K173-A202 PolarHBondContact NZ-O 2.88Å; K173-A204 CarbonylContact C-O 3.55Å; K173-A204 WeakPolarHBondContact CA-O 3.41Å; K173-Y205 HydrophobicContact CB-CE1 4.39Å; K173-Y205 HydrophobicContact CD-CE1 4.31Å; K173-Y205 HydrophobicContact CD-CE2 3.95Å; K173-Y205 WeakPolarHBondContact CD-OH 3.39Å; K173-Y205 HydrophobicContact CG-CE2 4.18Å; K173-Y205 PolarHBondContact NZ-OH 2.74Å; K173-Y205 VanDerWaalsContact NZ-OH 3.1Å |
| 174 | D | 94.2 | Very high | 92 | Very high | 92 Ų | 92 | 76.5 Ų | 76.5 | 49% | 0.492 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 43.8 | 173.6 | -56.4 | -50.9 | 0 | 0 | 0 | 113.1 | K176 G203 A204 | D174-K176 PolarHBondContact O-N 3.12Å; D174-G203 WeakPolarHBondContact OD1-CA 3.29Å; D174-A204 PolarHBondContact N-O 3.49Å; D174-A204 PolarHBondContact OD1-N 3.09Å |
| 175 | G | 91.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 9.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K173 | K173-G175 PolarHBondContact O-N 3.47Å; K173-G175 VanDerWaalsContact O-N 3.14Å |
| 176 | K | 94.4 | Very high | 92.8 | Very high | 154 Ų | 154 | 73.5 Ų | 73.5 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.5 | 179.6 | -64.1 | 174.1 | -175.2 | 171.4 | 0 | 111.3 | W172 K173 D174 L178 | W172-K176 CarbonylContact C-O 3.51Å; W172-K176 WeakPolarHBondContact CA-O 3.22Å; W172-K176 WeakPolarHBondContact CB-O 3.29Å; K173-K176 PolarHBondContact N-O 3.09Å; K173-K176 PolarHBondContact O-N 3.31Å; K173-K176 VanDerWaalsContact O-O 3.11Å; D174-K176 PolarHBondContact O-N 3.12Å; K176-L178 PolarHBondContact O-N 2.8Å |
| 177 | P | 94.5 | Very high | 92.9 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.8 | 174.3 | 27.1 | -34.2 | 0 | 0 | 0 | 110.4 | W172 V179 | W172-P177 HydrophobicContact CD2-CB 4.3Å; W172-P177 HydrophobicContact CZ2-CB 4.26Å; P177-V179 PolarHBondContact O-N 2.79Å |
| 178 | L | 94.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 71.4 Ų | 71.4 | 16% | 0.162 | 43% | 0.431 | C | S | . | . | trans | -75.3 | 118.7 | -177.4 | -179.6 | 67.4 | 0 | 0 | 0 | 110.4 | W171 K173 K176 L180 L192 Y205 | W171-L178 HydrophobicContact CB-CB 4.18Å; W171-L178 HydrophobicContact CB-CD2 4.07Å; W171-L178 WeakPolarHBondContact O-CB 3.26Å; W171-L178 PolarHBondContact O-N 2.66Å; K173-L178 HydrophobicContact CB-CD1 4.11Å; K173-L178 HydrophobicContact CD-CD1 4.44Å; K176-L178 PolarHBondContact O-N 2.8Å; L178-L180 HydrophobicContact CD2-CD2 4.2Å; L178-L180 HydrophobicContact CG-CD2 4.47Å; L178-L180 PolarHBondContact O-N 2.75Å; L178-L192 HydrophobicContact CD2-CD1 4.28Å; L178-L192 HydrophobicContact CD2-CD2 3.43Å; L178-L192 VanDerWaalsContact CD2-CD2 3.43Å; L178-Y205 HydrophobicContact CD2-CD1 4.49Å; L178-Y205 HydrophobicContact CD2-CE1 4.08Å | ||
| 179 | V | 91.9 | Very high | 92.3 | Very high | 119 Ų | 119 | 69.8 Ų | 69.8 | 72% | 0.721 | 44% | 0.435 | S | S | * | . | trans | -72.2 | 112.2 | 170.5 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | P177 Q181 H185 | P177-V179 PolarHBondContact O-N 2.79Å; V179-Q181 PolarHBondContact O-N 3.46Å; V179-H185 PolarHBondContact O-ND1 3.08Å | ||
| 180 | L | 91.6 | Very high | 92.1 | Very high | 80 Ų | 80 | 68.7 Ų | 68.7 | 42% | 0.419 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 119 | 176.6 | -58.6 | 179.3 | 0 | 0 | 0 | 109.6 | L178 H185 V187 L192 | L178-L180 HydrophobicContact CD2-CD2 4.2Å; L178-L180 HydrophobicContact CG-CD2 4.47Å; L178-L180 PolarHBondContact O-N 2.75Å; L180-H185 HydrophobicContact CB-CB 4.2Å; L180-H185 HydrophobicContact CD2-CB 3.91Å; L180-V187 HydrophobicContact CD1-CG2 3.82Å; L180-V187 HydrophobicContact CD2-CG2 3.88Å; L180-L192 HydrophobicContact CD2-CD1 4.05Å |
| 181 | Q | 89.9 | Confident | 92.1 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 118.3 | 177.3 | -66.5 | -178.4 | 20 | 0 | 0 | 109.3 | V179 G183 R184 H185 | V179-Q181 PolarHBondContact O-N 3.46Å; Q181-G183 PolarHBondContact O-N 3.14Å; Q181-R184 HydrophobicContact CB-CB 4.06Å; Q181-R184 PolarHBondContact O-N 3.18Å; Q181-R184 VanDerWaalsContact O-N 3.09Å; Q181-H185 PolarHBondContact N-ND1 2.97Å; Q181-H185 PolarHBondContact O-N 2.84Å |
| 182 | P | 87.8 | Confident | 92 | Very high | 133 Ų | 133 | 67.1 Ų | 67.1 | 86% | 0.864 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 132.8 | -178.3 | -27.2 | 35.6 | 0 | 0 | 0 | 112.6 | R184 | P182-R184 PolarHBondContact O-N 3.49Š|
| 183 | G | 83.8 | Confident | 92 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 78% | 0.784 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -17.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q181 | Q181-G183 PolarHBondContact O-N 3.14Š|
| 184 | R | 88.8 | Confident | 91.9 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 13% | 0.132 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -45.4 | 172.7 | -177.3 | -162.1 | 177.3 | 135.1 | 0.7 | 111.9 | Q181 P182 M194 A195 E198 S200 D201 | Q181-R184 HydrophobicContact CB-CB 4.06Å; Q181-R184 PolarHBondContact O-N 3.18Å; Q181-R184 VanDerWaalsContact O-N 3.09Å; P182-R184 PolarHBondContact O-N 3.49Å; R184-M194 WeakPolarHBondContact O-CA 3.1Å; R184-A195 PolarHBondContact O-N 3.39Å; R184-E198 VanDerWaalsContact CZ-CD 3.41Å; R184-E198 IonicContact CZ-OE1 3.76Å; R184-E198 IonicContact CZ-OE2 3.47Å; R184-E198 IonicContact NH1-OE1 3.42Å; R184-E198 PolarHBondContact NH1-OE1 3.33Å; R184-E198 IonicContact NH1-OE2 3.99Å; R184-E198 PolarHBondContact NH1-OE2 3.04Å; R184-E198 IonicContact NH2-OE1 2.74Å; R184-E198 IonicContact NH2-OE2 3.44Å; R184-E198 PolarHBondContact NH2-OE2 3.45Å; R184-S200 PolarHBondContact NH2-OG 3.26Å; R184-D201 IonicContact CZ-OD1 2.68Å; R184-D201 IonicContact CZ-OD2 2.79Å; R184-D201 IonicContact NE-OD1 2.77Å; R184-D201 IonicContact NE-OD2 3.96Å; R184-D201 IonicContact NH2-OD1 3.27Å; R184-D201 PolarHBondContact NH2-OD1 2.98Å; R184-D201 IonicContact NH2-OD2 2.73Å; R184-D201 PolarHBondContact NH2-OD2 2.93Å |
| 185 | H | 93.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.056 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.9 | -177.9 | -58.1 | 163.8 | 0 | 0 | 0 | 110.7 | V179 L180 Q181 L192 L193 | V179-H185 PolarHBondContact O-ND1 3.08Å; L180-H185 HydrophobicContact CB-CB 4.2Å; L180-H185 HydrophobicContact CD2-CB 3.91Å; Q181-H185 PolarHBondContact N-ND1 2.97Å; Q181-H185 PolarHBondContact O-N 2.84Å; H185-L192 HydrophobicContact CB-CD1 4.29Å; H185-L193 WeakPolarHBondContact CA-O 3.46Å |
| 186 | T | 92.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.4 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 109 | L193 | T186-L193 PolarHBondContact N-O 2.92Å; T186-L193 WeakPolarHBondContact O-CB 3.37Å; T186-L193 PolarHBondContact O-N 3.16Å |
| 187 | V | 92.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.3 | 172.1 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | L180 S191 L192 | L180-V187 HydrophobicContact CD1-CG2 3.82Å; L180-V187 HydrophobicContact CD2-CG2 3.88Å; V187-S191 VanDerWaalsContact CA-O 3.32Å; V187-S191 WeakPolarHBondContact CA-O 3.44Å; V187-L192 HydrophobicContact CG2-CD1 4.02Å |
| 188 | S | 89.4 | Confident | 91.6 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 128.3 | -178.1 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | G190 S191 | S188-G190 PolarHBondContact O-N 3.41Å; S188-G190 VanDerWaalsContact O-N 3.07Å; S188-S191 PolarHBondContact N-O 3.27Å; S188-S191 PolarHBondContact O-N 3.06Å |
| 189 | G | 85.9 | Confident | 91.4 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 75% | 0.753 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 11 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 190 | G | 91.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -28.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C158 W171 S188 | C158-G190 CarbonylContact O-C 3.33Å; C158-G190 VanDerWaalsContact O-C 3.23Å; C158-G190 WeakPolarHBondContact O-CA 3.35Å; W171-G190 PolarHBondContact NE1-O 2.87Å; S188-G190 PolarHBondContact O-N 3.41Å; S188-G190 VanDerWaalsContact O-N 3.07Å |
| 191 | S | 94.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 58.5 Ų | 58.5 | 22% | 0.217 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 142.7 | 178.1 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | L156 E157 C158 V187 S188 | L156-S191 CarbonylContact O-C 3.5Å; L156-S191 VanDerWaalsContact O-CA 3.3Å; L156-S191 WeakPolarHBondContact O-CA 3.08Å; L156-S191 WeakPolarHBondContact O-CB 3.08Å; E157-S191 WeakPolarHBondContact CA-OG 3.44Å; C158-S191 PolarHBondContact N-OG 3.22Å; C158-S191 VanDerWaalsContact N-OG 3.15Å; C158-S191 PolarHBondContact O-N 3.49Å; V187-S191 VanDerWaalsContact CA-O 3.32Å; V187-S191 WeakPolarHBondContact CA-O 3.44Å; S188-S191 PolarHBondContact N-O 3.27Å; S188-S191 PolarHBondContact O-N 3.06Å |
| 192 | L | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.9 | 175.2 | 170.3 | 64.6 | 0 | 0 | 0 | 110.5 | T155 L156 W171 L178 L180 H185 V187 M194 Y205 | T155-L192 CarbonylContact C-O 3.6Å; T155-L192 WeakPolarHBondContact CA-O 3.14Å; L156-L192 HydrophobicContact CB-CB 4.46Å; L156-L192 HydrophobicContact CD1-CD2 4.44Å; L156-L192 PolarHBondContact N-O 2.82Å; L156-L192 PolarHBondContact O-N 3.41Å; W171-L192 HydrophobicContact CB-CD2 4.31Å; W171-L192 HydrophobicContact CD2-CB 3.72Å; W171-L192 HydrophobicContact CD2-CD2 4.02Å; W171-L192 VanDerWaalsContact CE2-CB 3.42Å; W171-L192 HydrophobicContact CE3-CB 4.37Å; W171-L192 HydrophobicContact CE3-CD2 4.22Å; W171-L192 HydrophobicContact CG-CB 3.97Å; W171-L192 HydrophobicContact CG-CD2 4.07Å; W171-L192 HydrophobicContact CH2-CB 4.45Å; W171-L192 HydrophobicContact CZ2-CB 3.81Å; L178-L192 HydrophobicContact CD2-CD1 4.28Å; L178-L192 HydrophobicContact CD2-CD2 3.43Å; L178-L192 VanDerWaalsContact CD2-CD2 3.43Å; L180-L192 HydrophobicContact CD2-CD1 4.05Å; H185-L192 HydrophobicContact CB-CD1 4.29Å; V187-L192 HydrophobicContact CG2-CD1 4.02Å; L192-M194 HydrophobicContact CD2-CE 4.09Å; L192-M194 HydrophobicContact CD2-SD 4.46Å; L192-M194 HydrophobicContact CG-CE 4.39Å; L192-M194 HydrophobicContact CG-CG 4.31Å; L192-Y205 HydrophobicContact CD2-CD1 3.92Å; L192-Y205 HydrophobicContact CD2-CE1 3.96Å |
| 193 | L | 95.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.4 | 169.8 | 176.7 | 66.2 | 0 | 0 | 0 | 110 | Q153 T155 H185 T186 | Q153-L193 HydrophobicContact CG-CD1 3.58Å; T155-L193 WeakPolarHBondContact OG1-CD1 3.35Å; H185-L193 WeakPolarHBondContact CA-O 3.46Å; T186-L193 PolarHBondContact N-O 2.92Å; T186-L193 WeakPolarHBondContact O-CB 3.37Å; T186-L193 PolarHBondContact O-N 3.16Å |
| 194 | M | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.1 | 168.7 | -69.5 | 174.7 | -86.3 | 0 | 0 | 108 | L154 L156 R184 L192 R196 D201 Y205 | L154-M194 HydrophobicContact CB-CB 4.36Å; L154-M194 HydrophobicContact CD2-CE 3.56Å; L154-M194 HydrophobicContact CG-CE 3.87Å; L154-M194 PolarHBondContact N-O 3Å; L154-M194 PolarHBondContact O-N 3.48Å; L156-M194 HydrophobicContact CD1-CE 3.83Å; L156-M194 HydrophobicContact CG-CE 4.16Å; R184-M194 WeakPolarHBondContact O-CA 3.1Å; L192-M194 HydrophobicContact CD2-CE 4.09Å; L192-M194 HydrophobicContact CD2-SD 4.46Å; L192-M194 HydrophobicContact CG-CE 4.39Å; L192-M194 HydrophobicContact CG-CG 4.31Å; M194-R196 VanDerWaalsContact C-N 3.3Å; M194-R196 PolarHBondContact O-N 2.73Å; M194-D201 HydrophobicContact SD-CB 4.36Å; M194-Y205 HydrophobicContact CE-CE1 4.02Å; M194-Y205 HydrophobicContact SD-CE1 4.08Å |
| 195 | A | 91.4 | Very high | 92.9 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -68.2 | -27.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.1 | R184 | R184-A195 PolarHBondContact O-N 3.39Š|
| 196 | R | 91.1 | Very high | 93 | Very high | 173 Ų | 173 | 47.8 Ų | 47.8 | 65% | 0.653 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -147.2 | 128.1 | 171.9 | -60.8 | -177.9 | -174.4 | -79.7 | 1.9 | 107.7 | E152 M194 | E152-R196 CarbonylContact O-C 3.55Å; E152-R196 WeakPolarHBondContact O-CA 3.45Å; M194-R196 VanDerWaalsContact C-N 3.3Å; M194-R196 PolarHBondContact O-N 2.73Å |
| 197 | A | 92.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | trans | -82.7 | 134.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A148 V150 G151 E152 I225 | A148-A197 HydrophobicContact CB-CB 4.4Å; V150-A197 CarbonylContact C-O 3.47Å; V150-A197 WeakPolarHBondContact CA-O 3.39Å; G151-A197 PolarHBondContact N-O 2.97Å; E152-A197 PolarHBondContact O-N 3.46Å; A197-I225 HydrophobicContact CB-CD1 3.83Å | ||
| 198 | E | 92.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | trans | -117.9 | 164.2 | 172.7 | -66.8 | 170.9 | -171.5 | 0 | 0 | 110.6 | R184 S200 D201 I225 | R184-E198 VanDerWaalsContact CZ-CD 3.41Å; R184-E198 IonicContact CZ-OE1 3.76Å; R184-E198 IonicContact CZ-OE2 3.47Å; R184-E198 IonicContact NH1-OE1 3.42Å; R184-E198 PolarHBondContact NH1-OE1 3.33Å; R184-E198 IonicContact NH1-OE2 3.99Å; R184-E198 PolarHBondContact NH1-OE2 3.04Å; R184-E198 IonicContact NH2-OE1 2.74Å; R184-E198 IonicContact NH2-OE2 3.44Å; R184-E198 PolarHBondContact NH2-OE2 3.45Å; E198-S200 VanDerWaalsContact CB-OG 3.31Å; E198-S200 WeakPolarHBondContact CB-OG 3.19Å; E198-S200 PolarHBondContact O-N 2.72Å; E198-S200 PolarHBondContact OE2-OG 2.93Å; E198-S200 VanDerWaalsContact OE2-OG 3.05Å; E198-D201 PolarHBondContact N-OD2 3.4Å; E198-D201 WeakPolarHBondContact O-CB 3.26Å; E198-D201 PolarHBondContact O-N 3.3Å; E198-I225 WeakPolarHBondContact O-CG1 3.29Å | ||
| 199 | K | 91.1 | Very high | 93.7 | Very high | 123 Ų | 123 | 38.1 Ų | 38.1 | 54% | 0.535 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -55.2 | -29.5 | 176.2 | -55.2 | -172.2 | -169 | -170.4 | 0 | 112.9 | V150 D201 A202 E227 | V150-K199 HydrophobicContact CG2-CG 4.06Å; K199-D201 PolarHBondContact O-N 3.41Å; K199-A202 PolarHBondContact O-N 2.82Å; K199-E227 WeakPolarHBondContact CE-OE1 3.31Å; K199-E227 VanDerWaalsContact CE-OE2 3.23Å; K199-E227 WeakPolarHBondContact CE-OE2 3.31Å; K199-E227 IonicContact NZ-OE1 2.72Å; K199-E227 PolarHBondContact NZ-OE1 2.68Å; K199-E227 IonicContact NZ-OE2 3.59Å; K199-E227 PolarHBondContact NZ-OE2 3.28Å |
| 200 | S | 91.8 | Very high | 94 | Very high | 74 Ų | 74 | 36.1 Ų | 36.1 | 52% | 0.517 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -66.8 | -15.3 | 174.5 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | K173 R184 E198 | K173-S200 PolarHBondContact NZ-O 3.02Å; R184-S200 PolarHBondContact NH2-OG 3.26Å; E198-S200 VanDerWaalsContact CB-OG 3.31Å; E198-S200 WeakPolarHBondContact CB-OG 3.19Å; E198-S200 PolarHBondContact O-N 2.72Å; E198-S200 PolarHBondContact OE2-OG 2.93Å; E198-S200 VanDerWaalsContact OE2-OG 3.05Å |
| 201 | D | 92.4 | Very high | 94 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -86.5 | -9.1 | 177.4 | -62.5 | -45.3 | 0 | 0 | 0 | 113.3 | K173 R184 M194 E198 K199 G203 Y205 V223 I225 | K173-D201 VanDerWaalsContact NZ-CA 3.33Å; K173-D201 PolarHBondContact NZ-O 2.98Å; R184-D201 IonicContact CZ-OD1 2.68Å; R184-D201 IonicContact CZ-OD2 2.79Å; R184-D201 IonicContact NE-OD1 2.77Å; R184-D201 IonicContact NE-OD2 3.96Å; R184-D201 IonicContact NH2-OD1 3.27Å; R184-D201 PolarHBondContact NH2-OD1 2.98Å; R184-D201 IonicContact NH2-OD2 2.73Å; R184-D201 PolarHBondContact NH2-OD2 2.93Å; M194-D201 HydrophobicContact SD-CB 4.36Å; E198-D201 PolarHBondContact N-OD2 3.4Å; E198-D201 WeakPolarHBondContact O-CB 3.26Å; E198-D201 PolarHBondContact O-N 3.3Å; K199-D201 PolarHBondContact O-N 3.41Å; D201-G203 PolarHBondContact O-N 2.97Å; D201-Y205 WeakPolarHBondContact O-CE2 3.42Å; D201-Y205 PolarHBondContact O-OH 3Å; D201-V223 WeakPolarHBondContact O-CG1 3.43Å; D201-I225 HydrophobicContact CB-CG1 4.17Å |
| 202 | A | 94 | Very high | 93.6 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 35% | 0.347 | 21% | 0.211 | S | C | . | . | trans | -61.4 | 138.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K173 K199 V223 I225 | K173-A202 VanDerWaalsContact CE-O 3.28Å; K173-A202 WeakPolarHBondContact CE-O 3.42Å; K173-A202 PolarHBondContact NZ-O 2.88Å; K199-A202 PolarHBondContact O-N 2.82Å; A202-V223 WeakPolarHBondContact CA-O 3.3Å; A202-I225 HydrophobicContact CB-CB 4.44Å; A202-I225 HydrophobicContact CB-CG1 4.27Å | ||
| 203 | G | 94.5 | Very high | 93 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.8 | -178.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | D174 D201 V223 | D174-G203 WeakPolarHBondContact OD1-CA 3.29Å; D201-G203 PolarHBondContact O-N 2.97Å; G203-V223 PolarHBondContact N-O 2.66Å; G203-V223 PolarHBondContact O-N 2.96Å |
| 204 | A | 96.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 26% | 0.256 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K173 D174 | K173-A204 CarbonylContact C-O 3.55Å; K173-A204 WeakPolarHBondContact CA-O 3.41Å; D174-A204 PolarHBondContact N-O 3.49Å; D174-A204 PolarHBondContact OD1-N 3.09Å |
| 205 | Y | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.5 | -177.5 | -73.7 | -112.4 | 0 | 0 | 0 | 111.1 | L156 W171 W172 K173 L178 L192 M194 D201 A220 A221 V223 | L156-Y205 HydrophobicContact CD1-CD1 3.59Å; L156-Y205 HydrophobicContact CD1-CD2 4.27Å; L156-Y205 HydrophobicContact CD1-CE1 4.33Å; L156-Y205 HydrophobicContact CD1-CG 3.54Å; W171-Y205 HydrophobicContact CE3-CD1 4.48Å; W172-Y205 CarbonylContact O-C 3.49Å; W172-Y205 VanDerWaalsContact O-CA 3.31Å; W172-Y205 WeakPolarHBondContact O-CA 3.26Å; K173-Y205 HydrophobicContact CB-CE1 4.39Å; K173-Y205 HydrophobicContact CD-CE1 4.31Å; K173-Y205 HydrophobicContact CD-CE2 3.95Å; K173-Y205 WeakPolarHBondContact CD-OH 3.39Å; K173-Y205 HydrophobicContact CG-CE2 4.18Å; K173-Y205 PolarHBondContact NZ-OH 2.74Å; K173-Y205 VanDerWaalsContact NZ-OH 3.1Å; L178-Y205 HydrophobicContact CD2-CD1 4.49Å; L178-Y205 HydrophobicContact CD2-CE1 4.08Å; L192-Y205 HydrophobicContact CD2-CD1 3.92Å; L192-Y205 HydrophobicContact CD2-CE1 3.96Å; M194-Y205 HydrophobicContact CE-CE1 4.02Å; M194-Y205 HydrophobicContact SD-CE1 4.08Å; D201-Y205 WeakPolarHBondContact O-CE2 3.42Å; D201-Y205 PolarHBondContact O-OH 3Å; Y205-A220 CarbonylContact O-C 3.59Å; Y205-A220 WeakPolarHBondContact O-CA 3.24Å; Y205-A221 PolarHBondContact N-O 3.26Å; Y205-A221 PolarHBondContact O-N 2.9Å; Y205-V223 HydrophobicContact CD2-CB 3.99Å; Y205-V223 HydrophobicContact CD2-CG2 3.58Å; Y205-V223 HydrophobicContact CE2-CB 3.91Å; Y205-V223 HydrophobicContact CE2-CG2 3.83Å; Y205-V223 HydrophobicContact CG-CG2 4.24Å |
| 206 | M | 96.5 | Very high | 92.6 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.5 | -179.5 | -171.7 | 169.3 | 77.7 | 0 | 0 | 109.3 | W172 V208 E217 S218 | W172-M206 HydrophobicContact CB-CB 4.44Å; W172-M206 PolarHBondContact N-O 3.29Å; W172-M206 PolarHBondContact O-N 3.49Å; M206-V208 HydrophobicContact CE-CG2 4.06Å; M206-E217 HydrophobicContact CE-CB 3.93Å; M206-E217 HydrophobicContact CE-CG 4.17Å; M206-E217 WeakPolarHBondContact CE-OE2 3.33Å; M206-E217 HydrophobicContact SD-CB 3.98Å; M206-S218 WeakPolarHBondContact CG-O 3.36Å; M206-S218 VanDerWaalsContact SD-O 3.36Å |
| 207 | C | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.7 | 172.1 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | F139 C158 V169 S170 W171 S218 | F139-C207 VanDerWaalsContact CE1-SG 3.54Å; C158-C207 HydrophobicContact CB-CB 3.7Å; C158-C207 WeakPolarHBondContact CB-SG 3.25Å; C158-C207 WeakPolarHBondContact SG-CB 3.41Å; C158-C207 CovalentContact SG-SG 2.03Å; C158-C207 PolarHBondContact SG-SG 2.98Å; V169-C207 HydrophobicContact CG1-CB 3.93Å; S170-C207 WeakPolarHBondContact O-CA 3.27Å; W171-C207 HydrophobicContact CD2-CB 3.94Å; W171-C207 HydrophobicContact CE3-CB 4.09Å; W171-C207 HydrophobicContact CH2-CB 4Å; W171-C207 HydrophobicContact CZ2-CB 3.82Å; W171-C207 HydrophobicContact CZ3-CB 4.11Å; C207-S218 PolarHBondContact N-OG 2.82Å; C207-S218 PolarHBondContact O-N 3.15Å; C207-S218 PolarHBondContact O-OG 2.93Å; C207-S218 WeakPolarHBondContact SG-CB 3.49Å; C207-S218 PolarHBondContact SG-OG 2.79Å |
| 208 | V | 95.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 112.3 | -179 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | S170 W172 M206 H215 R216 E217 | S170-V208 PolarHBondContact N-O 3.03Å; S170-V208 PolarHBondContact O-N 2.85Å; S170-V208 PolarHBondContact OG-O 3.2Å; W172-V208 VanDerWaalsContact CD1-CG2 3.4Å; W172-V208 HydrophobicContact CG-CG2 4.07Å; M206-V208 HydrophobicContact CE-CG2 4.06Å; V208-H215 HydrophobicContact CG1-CB 4.24Å; V208-R216 CarbonylContact C-O 3.44Å; V208-R216 WeakPolarHBondContact CA-O 3.41Å; V208-E217 HydrophobicContact CG1-CG 4.38Å; V208-E217 HydrophobicContact CG2-CB 4.35Å; V208-E217 HydrophobicContact CG2-CG 4.05Å |
| 209 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F139 P160 P167 T168 V169 H215 R216 | F139-A209 HydrophobicContact CE1-CB 4.12Å; F139-A209 HydrophobicContact CZ-CB 4Å; P160-A209 HydrophobicContact CB-CB 3.73Å; P167-A209 HydrophobicContact CB-CB 4.25Å; T168-A209 WeakPolarHBondContact O-CA 3.35Å; V169-A209 HydrophobicContact CG2-CB 4.41Å; A209-H215 CarbonylContact O-C 3.28Å; A209-H215 VanDerWaalsContact O-CA 3.28Å; A209-H215 WeakPolarHBondContact O-CA 3.45Å; A209-R216 PolarHBondContact N-O 3Å; A209-R216 PolarHBondContact O-N 2.97Å |
| 210 | A | 93.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 39 Ų | 39 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P167 T168 G214 H215 | P167-A210 CarbonylContact C-O 3.58Å; P167-A210 VanDerWaalsContact CA-O 3.26Å; P167-A210 WeakPolarHBondContact CA-O 3.36Å; T168-A210 PolarHBondContact N-O 3.01Å; T168-A210 PolarHBondContact O-N 2.81Å; T168-A210 PolarHBondContact OG1-O 2.9Å; A210-G214 WeakPolarHBondContact CA-O 3.37Å; A210-H215 HydrophobicContact CB-CB 4.06Å |
| 211 | N | 91.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | -169.7 | 167.2 | 73.2 | 6.9 | 0 | 0 | 0 | 110.1 | V134 P165 P167 A213 G214 | V134-N211 PolarHBondContact O-ND2 3.33Å; P165-N211 WeakPolarHBondContact O-CB 3.46Å; P165-N211 PolarHBondContact O-ND2 3.2Å; P167-N211 HydrophobicContact CB-CB 4.16Å; N211-A213 PolarHBondContact O-N 3.13Å; N211-A213 WeakPolarHBondContact OD1-CA 3.4Å; N211-A213 WeakPolarHBondContact OD1-CB 3.25Å; N211-A213 PolarHBondContact OD1-N 3.33Å; N211-G214 PolarHBondContact N-O 2.71Å; N211-G214 PolarHBondContact O-N 3.46Å; N211-G214 VanDerWaalsContact O-N 3.16Å |
| 212 | S | 85.3 | Confident | 93.4 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.5 | -179.4 | 60.2 | 0 | 0 | 0 | 0 | 115.7 | Q44 A133 P165 | Q44-S212 VanDerWaalsContact NE2-CB 3.3Å; Q44-S212 PolarHBondContact NE2-OG 3.48Å; A133-S212 WeakPolarHBondContact CB-OG 3.42Å; P165-S212 WeakPolarHBondContact CD-OG 3.4Å |
| 213 | A | 83.4 | Confident | 93.5 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -27.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | A133 L135 N211 | A133-A213 HydrophobicContact CB-CB 3.86Å; A133-A213 WeakPolarHBondContact O-CB 3.46Å; L135-A213 HydrophobicContact CB-CB 4.01Å; N211-A213 PolarHBondContact O-N 3.13Å; N211-A213 WeakPolarHBondContact OD1-CA 3.4Å; N211-A213 WeakPolarHBondContact OD1-CB 3.25Å; N211-A213 PolarHBondContact OD1-N 3.33Å |
| 214 | G | 87.4 | Confident | 93.4 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 30% | 0.299 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.8 | -160.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L135 A210 N211 | L135-G214 WeakPolarHBondContact CD2-O 3.45Å; A210-G214 WeakPolarHBondContact CA-O 3.37Å; N211-G214 PolarHBondContact N-O 2.71Å; N211-G214 PolarHBondContact O-N 3.46Å; N211-G214 VanDerWaalsContact O-N 3.16Å |
| 215 | H | 92.1 | Very high | 93.3 | Very high | 112 Ų | 112 | 42.1 Ų | 42.1 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 162.7 | 170.9 | 59.8 | -85.9 | 0 | 0 | 0 | 110.9 | V208 A209 A210 | V208-H215 HydrophobicContact CG1-CB 4.24Å; A209-H215 CarbonylContact O-C 3.28Å; A209-H215 VanDerWaalsContact O-CA 3.28Å; A209-H215 WeakPolarHBondContact O-CA 3.45Å; A210-H215 HydrophobicContact CB-CB 4.06Å |
| 216 | R | 93.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.9 | 165.1 | -69.6 | -62.8 | -177.8 | -72.6 | -0.3 | 108.7 | H98 L135 E137 F139 P161 V208 A209 | H98-R216 PolarHBondContact CE1-NH2 2.83Å; H98-R216 VanDerWaalsContact CE1-NH2 3.3Å; H98-R216 PolarHBondContact ND1-NH2 2.82Å; L135-R216 HydrophobicContact CD2-CB 4.41Å; L135-R216 HydrophobicContact CD2-CG 3.93Å; L135-R216 HydrophobicContact CG-CG 4.11Å; E137-R216 IonicContact OE1-CZ 2.71Å; E137-R216 IonicContact OE1-NE 3.22Å; E137-R216 IonicContact OE1-NH2 2.68Å; E137-R216 PolarHBondContact OE1-NH2 3.31Å; F139-R216 HydrophobicContact CE2-CB 3.89Å; F139-R216 HydrophobicContact CZ-CB 4.44Å; P161-R216 HydrophobicContact CG-CB 4.21Å; V208-R216 CarbonylContact C-O 3.44Å; V208-R216 WeakPolarHBondContact CA-O 3.41Å; A209-R216 PolarHBondContact N-O 3Å; A209-R216 PolarHBondContact O-N 2.97Å |
| 217 | E | 94.9 | Very high | 92 | Very high | 104 Ų | 104 | 50.2 Ų | 50.2 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.5 | -179.8 | -48.6 | -166.1 | 138.8 | 0 | 0 | 108.8 | F139 M206 V208 | F139-E217 WeakPolarHBondContact CE2-O 3.47Å; M206-E217 HydrophobicContact CE-CB 3.93Å; M206-E217 HydrophobicContact CE-CG 4.17Å; M206-E217 WeakPolarHBondContact CE-OE2 3.33Å; M206-E217 HydrophobicContact SD-CB 3.98Å; V208-E217 HydrophobicContact CG1-CG 4.38Å; V208-E217 HydrophobicContact CG2-CB 4.35Å; V208-E217 HydrophobicContact CG2-CG 4.05Å |
| 218 | S | 95.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 171.9 | 172 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | P143 M206 C207 | P143-S218 WeakPolarHBondContact CG-OG 3.42Å; M206-S218 WeakPolarHBondContact CG-O 3.36Å; M206-S218 VanDerWaalsContact SD-O 3.36Å; C207-S218 PolarHBondContact N-OG 2.82Å; C207-S218 PolarHBondContact O-N 3.15Å; C207-S218 PolarHBondContact O-OG 2.93Å; C207-S218 WeakPolarHBondContact SG-CB 3.49Å; C207-S218 PolarHBondContact SG-OG 2.79Å |
| 219 | R | 93.9 | Very high | 88.6 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 151 | 156.6 | 74 | -177.7 | -172.7 | 144.4 | -1.9 | 110.1 | Q142 P143 | Q142-R219 HydrophobicContact CB-CG 4.38Å; Q142-R219 VanDerWaalsContact OE1-CG 3.25Å; P143-R219 VanDerWaalsContact O-CZ 3.24Å; P143-R219 PolarHBondContact O-NE 2.84Å; P143-R219 PolarHBondContact O-NH2 2.82Å |
| 220 | A | 93.7 | Very high | 86.5 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 143.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y205 | Y205-A220 CarbonylContact O-C 3.59Å; Y205-A220 WeakPolarHBondContact O-CA 3.24Å |
| 221 | A | 95.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | P143 R144 D145 Y205 | P143-A221 HydrophobicContact CB-CB 3.76Å; P143-A221 HydrophobicContact CG-CB 4.09Å; R144-A221 WeakPolarHBondContact O-CB 3.47Å; D145-A221 WeakPolarHBondContact OD1-CA 3.19Å; Y205-A221 PolarHBondContact N-O 3.26Å; Y205-A221 PolarHBondContact O-N 2.9Å |
| 222 | R | 95.3 | Very high | 82.2 | Confident | 157 Ų | 157 | 75.8 Ų | 75.8 | 59% | 0.592 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.5 | -179.8 | -175.7 | 173.7 | -63.4 | -77.6 | -1.6 | 110.8 | D145 M146 | D145-R222 CarbonylContact C-O 3.58Å; D145-R222 VanDerWaalsContact CA-O 3.25Å; D145-R222 WeakPolarHBondContact CA-O 3.31Å; D145-R222 HydrophobicContact CB-CB 4.42Å; D145-R222 PolarHBondContact OD1-N 3.06Å; M146-R222 PolarHBondContact N-O 3.01Å |
| 223 | V | 95.7 | Very high | 80.2 | Confident | 3 Ų | 3 | 82.2 Ų | 82.2 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.3 | 163.6 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | M146 L154 L156 D201 A202 G203 Y205 I225 | M146-V223 WeakPolarHBondContact O-CA 3.28Å; L154-V223 HydrophobicContact CD2-CG1 3.64Å; L154-V223 HydrophobicContact CD2-CG2 4.17Å; L156-V223 HydrophobicContact CD1-CG2 3.85Å; L156-V223 HydrophobicContact CD2-CG2 3.95Å; L156-V223 HydrophobicContact CG-CG2 4.3Å; D201-V223 WeakPolarHBondContact O-CG1 3.43Å; A202-V223 WeakPolarHBondContact CA-O 3.3Å; G203-V223 PolarHBondContact N-O 2.66Å; G203-V223 PolarHBondContact O-N 2.96Å; Y205-V223 HydrophobicContact CD2-CB 3.99Å; Y205-V223 HydrophobicContact CD2-CG2 3.58Å; Y205-V223 HydrophobicContact CE2-CB 3.91Å; Y205-V223 HydrophobicContact CE2-CG2 3.83Å; Y205-V223 HydrophobicContact CG-CG2 4.24Å; V223-I225 HydrophobicContact CG1-CD1 3.51Å; V223-I225 HydrophobicContact CG1-CG1 4.05Å |
| 224 | S | 93 | Very high | 78.2 | Confident | 48 Ų | 48 | 85.8 Ų | 85.8 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.3 | 164.9 | 57 | 0 | 0 | 0 | 0 | 109.9 | M146 V147 A148 | M146-S224 PolarHBondContact O-N 2.66Å; V147-S224 WeakPolarHBondContact CA-O 3.46Å; A148-S224 PolarHBondContact N-O 2.79Å; A148-S224 VanDerWaalsContact N-O 3.16Å |
| 225 | I | 94.1 | Very high | 76.1 | Confident | 25 Ų | 25 | 89.9 Ų | 89.9 | 13% | 0.128 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117 | 177.6 | -56.3 | -52.6 | 0 | 0 | 0 | 108 | A148 V150 L154 A197 E198 D201 A202 V223 | A148-I225 HydrophobicContact CB-CD1 3.97Å; A148-I225 CarbonylContact O-C 3.56Å; A148-I225 WeakPolarHBondContact O-CA 3.23Å; V150-I225 HydrophobicContact CG2-CG2 3.63Å; L154-I225 HydrophobicContact CD2-CD1 4.26Å; A197-I225 HydrophobicContact CB-CD1 3.83Å; E198-I225 WeakPolarHBondContact O-CG1 3.29Å; D201-I225 HydrophobicContact CB-CG1 4.17Å; A202-I225 HydrophobicContact CB-CB 4.44Å; A202-I225 HydrophobicContact CB-CG1 4.27Å; V223-I225 HydrophobicContact CG1-CD1 3.51Å; V223-I225 HydrophobicContact CG1-CG1 4.05Å |
| 226 | Q | 86.4 | Confident | 74 | Confident | 93 Ų | 93 | 90.3 Ų | 90.3 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.1 | 172.7 | -64.8 | -169.6 | 8.5 | 0 | 0 | 109.2 | V147 A148 V149 V150 | V147-Q226 HydrophobicContact CG1-CG 3.76Å; A148-Q226 PolarHBondContact O-N 2.68Å; V149-Q226 CarbonylContact C-O 3.52Å; V149-Q226 WeakPolarHBondContact CA-O 3.35Å; V150-Q226 PolarHBondContact N-O 2.73Å |
| 227 | E | 79.1 | Confident | 72.2 | Confident | 114 Ų | 114 | 89.2 Ų | 89.2 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 151.2 | 161.3 | -51 | -159.6 | -152.6 | 0 | 0 | 108.4 | K199 Q229 | K199-E227 WeakPolarHBondContact CE-OE1 3.31Å; K199-E227 VanDerWaalsContact CE-OE2 3.23Å; K199-E227 WeakPolarHBondContact CE-OE2 3.31Å; K199-E227 IonicContact NZ-OE1 2.72Å; K199-E227 PolarHBondContact NZ-OE1 2.68Å; K199-E227 IonicContact NZ-OE2 3.59Å; K199-E227 PolarHBondContact NZ-OE2 3.28Å; E227-Q229 PolarHBondContact O-N 2.88Å |
| 228 | P | 69.4 | Low | 70.2 | Confident | 81 Ų | 81 | 91.5 Ų | 91.5 | 53% | 0.526 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 116.4 | 169.6 | -16.4 | 29.8 | 0 | 0 | 0 | 107 | V149 D230 | V149-P228 HydrophobicContact CG1-CB 3.91Å; V149-P228 HydrophobicContact CG1-CG 3.76Å; P228-D230 PolarHBondContact O-N 2.89Å |
| 229 | Q | 51 | Low | 68.2 | Low | 119 Ų | 119 | 92.8 Ų | 92.8 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | trans | -67.8 | 85 | 168.3 | -72.7 | -99.8 | -3.1 | 0 | 0 | 106.7 | E227 Y231 | E227-Q229 PolarHBondContact O-N 2.88Å; Q229-Y231 HydrophobicContact CB-CD2 3.71Å; Q229-Y231 HydrophobicContact CB-CE1 4.3Å; Q229-Y231 HydrophobicContact CB-CE2 3.32Å; Q229-Y231 HydrophobicContact CB-CG 4.35Å; Q229-Y231 HydrophobicContact CG-CE2 4.11Å; Q229-Y231 VanDerWaalsContact O-CD2 3.28Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.11Å; Q229-Y231 PolarHBondContact O-N 2.85Å; Q229-Y231 VanDerWaalsContact OE1-CE1 3.31Å | ||
| 230 | D | 51.4 | Low | 67 | Low | 117 Ų | 117 | 87.3 Ų | 87.3 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | trans | -65.7 | 90.7 | 157.3 | -170.3 | 47.4 | 0 | 0 | 0 | 106 | P228 T232 | P228-D230 PolarHBondContact O-N 2.89Å; D230-T232 PolarHBondContact O-N 2.93Å; D230-T232 PolarHBondContact O-OG1 3.32Å; D230-T232 WeakPolarHBondContact OD2-CB 3.27Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.13Å; D230-T232 PolarHBondContact OD2-OG1 2.86Å | ||
| 231 | Y | 45.7 | Very low | 66 | Low | 183 Ų | 183 | 92.6 Ų | 92.6 | 72% | 0.718 | 46% | 0.464 | S | S | * | . | trans | -71.2 | 66.7 | 173 | -70.8 | -78.7 | 0 | 0 | 0 | 108.6 | Q229 E233 | Q229-Y231 HydrophobicContact CB-CD2 3.71Å; Q229-Y231 HydrophobicContact CB-CE1 4.3Å; Q229-Y231 HydrophobicContact CB-CE2 3.32Å; Q229-Y231 HydrophobicContact CB-CG 4.35Å; Q229-Y231 HydrophobicContact CG-CE2 4.11Å; Q229-Y231 VanDerWaalsContact O-CD2 3.28Å; Q229-Y231 WeakPolarHBondContact O-CD2 3.11Å; Q229-Y231 PolarHBondContact O-N 2.85Å; Q229-Y231 VanDerWaalsContact OE1-CE1 3.31Å; Y231-E233 PolarHBondContact O-N 2.77Å; Y231-E233 VanDerWaalsContact O-N 3.11Å | ||
| 232 | T | 48.9 | Very low | 65.5 | Low | 107 Ų | 107 | 93.2 Ų | 93.2 | 66% | 0.656 | 47% | 0.467 | S | S | * | . | trans | -78.7 | 29.5 | 174.6 | 14.7 | 0 | 0 | 0 | 0 | 112.6 | D230 P234 | D230-T232 PolarHBondContact O-N 2.93Å; D230-T232 PolarHBondContact O-OG1 3.32Å; D230-T232 WeakPolarHBondContact OD2-CB 3.27Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.13Å; D230-T232 PolarHBondContact OD2-OG1 2.86Å; T232-P234 VanDerWaalsContact O-CD 3.31Å; T232-P234 WeakPolarHBondContact O-CD 3.43Å | ||
| 233 | E | 44.4 | Very low | 65.2 | Low | 176 Ų | 176 | 91 Ų | 91 | 82% | 0.822 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -89 | 104.2 | 151.6 | -71.5 | -161.1 | 159.2 | 0 | 0 | 108.2 | Y231 V235 | Y231-E233 PolarHBondContact O-N 2.77Å; Y231-E233 VanDerWaalsContact O-N 3.11Å; E233-V235 PolarHBondContact O-N 2.85Å |
| 234 | P | 40.9 | Very low | 65 | Low | 98 Ų | 98 | 91 Ų | 91 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | trans | -67.2 | 120.5 | 178 | 27.6 | -33.3 | 0 | 0 | 0 | 109.7 | T232 E236 | T232-P234 VanDerWaalsContact O-CD 3.31Å; T232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-E236 PolarHBondContact O-N 2.88Å | ||
| 235 | V | 42.9 | Very low | 64.9 | Low | 114 Ų | 114 | 93.6 Ų | 93.6 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | trans | -68.7 | 83.6 | 164.1 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | E233 L237 A330 | E233-V235 PolarHBondContact O-N 2.85Å; V235-L237 PolarHBondContact O-N 2.83Å; V235-A330 WeakPolarHBondContact O-CB 3.32Å | ||
| 236 | E | 49.3 | Very low | 64.7 | Low | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | trans | -59.3 | 135.7 | 177.4 | -72.6 | -164 | 154.3 | 0 | 0 | 110.4 | P234 L238 | P234-E236 PolarHBondContact O-N 2.88Å; E236-L238 HydrophobicContact CB-CD2 4.06Å; E236-L238 HydrophobicContact CB-CG 3.91Å; E236-L238 PolarHBondContact O-N 2.87Å; E236-L238 VanDerWaalsContact OE2-CD2 3.24Å; E236-L238 WeakPolarHBondContact OE2-CD2 3.17Å | ||
| 237 | L | 55.5 | Low | 64.9 | Low | 30 Ų | 30 | 92.3 Ų | 92.3 | 16% | 0.157 | 47% | 0.467 | C | S | . | . | trans | -76.3 | 59.9 | 169.5 | -63.2 | 174.4 | 0 | 0 | 0 | 110.3 | V235 A239 V240 P325 | V235-L237 PolarHBondContact O-N 2.83Å; L237-A239 PolarHBondContact O-N 2.99Å; L237-V240 HydrophobicContact CB-CB 4.19Å; L237-V240 HydrophobicContact CB-CG2 4.09Å; L237-V240 PolarHBondContact O-N 3.08Å; L237-P325 HydrophobicContact CD1-CB 4.48Å | ||
| 238 | L | 52.7 | Low | 65.3 | Low | 152 Ų | 152 | 89.7 Ų | 89.7 | 80% | 0.796 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -16.7 | -174.9 | -72.2 | 169.5 | 0 | 0 | 0 | 115.4 | E236 | E236-L238 HydrophobicContact CB-CD2 4.06Å; E236-L238 HydrophobicContact CB-CG 3.91Å; E236-L238 PolarHBondContact O-N 2.87Å; E236-L238 VanDerWaalsContact OE2-CD2 3.24Å; E236-L238 WeakPolarHBondContact OE2-CD2 3.17Å |
| 239 | A | 53.6 | Low | 66.1 | Low | 35 Ų | 35 | 88.2 Ų | 88.2 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -0 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L237 G272 P273 A274 | L237-A239 PolarHBondContact O-N 2.99Å; A239-G272 WeakPolarHBondContact O-CA 3.03Å; A239-P273 HydrophobicContact CB-CG 4.06Å; A239-A274 HydrophobicContact CB-CB 3.85Å |
| 240 | V | 67.6 | Low | 67.7 | Low | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.024 | 43% | 0.431 | C | S | . | . | trans | -101 | 98.8 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | L237 V270 A274 P325 P333 | L237-V240 HydrophobicContact CB-CB 4.19Å; L237-V240 HydrophobicContact CB-CG2 4.09Å; L237-V240 PolarHBondContact O-N 3.08Å; V240-V270 HydrophobicContact CG1-CG1 3.78Å; V240-A274 HydrophobicContact CG2-CB 3.8Å; V240-P325 HydrophobicContact CG1-CB 4.32Å; V240-P325 HydrophobicContact CG1-CG 4.16Å; V240-P333 VanDerWaalsContact O-CG 3.28Å; V240-P333 WeakPolarHBondContact O-CG 3.38Å | ||
| 241 | R | 73.9 | Confident | 68.8 | Low | 168 Ų | 168 | 85.8 Ų | 85.8 | 63% | 0.634 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.3 | 168.8 | -68.8 | -175.3 | -61 | -93.2 | -3.2 | 109.7 | S271 | R241-S271 PolarHBondContact N-O 2.88Å; R241-S271 PolarHBondContact O-N 2.85Å; R241-S271 PolarHBondContact O-OG 2.83Å |
| 242 | I | 85.6 | Confident | 69.6 | Low | 13 Ų | 13 | 80.6 Ų | 80.6 | 7% | 0.067 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.5 | 174.3 | -147.1 | 173.1 | 0 | 0 | 0 | 109.9 | W268 K269 V270 Y280 V323 P325 | I242-W268 HydrophobicContact CD1-CG 4.21Å; I242-W268 HydrophobicContact CG1-CG 4.37Å; I242-K269 WeakPolarHBondContact CA-O 3.31Å; I242-V270 HydrophobicContact CG1-CG2 4.29Å; I242-Y280 HydrophobicContact CD1-CD1 3.44Å; I242-Y280 VanDerWaalsContact CD1-CD1 3.44Å; I242-Y280 HydrophobicContact CD1-CE1 3.51Å; I242-V323 HydrophobicContact CD1-CG1 4.01Å; I242-V323 WeakPolarHBondContact CG2-O 3.33Å; I242-P325 HydrophobicContact CD1-CB 4.36Å; I242-P325 HydrophobicContact CD1-CG 4.46Å |
| 243 | Q | 87.9 | Confident | 70.1 | Confident | 111 Ų | 111 | 78.8 Ų | 78.8 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.8 | 177.6 | -176.8 | 174.9 | -4.7 | 0 | 0 | 108.9 | E245 W268 K269 N336 | Q243-E245 PolarHBondContact O-N 2.89Å; Q243-W268 CarbonylContact O-C 3.6Å; Q243-W268 WeakPolarHBondContact O-CA 3.38Å; Q243-W268 VanDerWaalsContact O-CB 3.32Å; Q243-W268 WeakPolarHBondContact O-CB 3.45Å; Q243-K269 PolarHBondContact N-O 2.95Å; Q243-K269 PolarHBondContact O-N 2.92Å; Q243-N336 WeakPolarHBondContact CA-OD1 3.3Å; Q243-N336 WeakPolarHBondContact CG-OD1 3.4Å |
| 244 | L | 91.3 | Very high | 70.8 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 109.1 | 174 | -176.1 | 59 | 0 | 0 | 0 | 107.4 | V247 L266 W268 F321 V323 N336 L338 | L244-V247 HydrophobicContact CD1-CG2 4.29Å; L244-V247 HydrophobicContact CD2-CG2 3.83Å; L244-V247 HydrophobicContact CG-CG2 4.07Å; L244-L266 HydrophobicContact CD1-CB 4.29Å; L244-W268 HydrophobicContact CD1-CB 4.18Å; L244-F321 HydrophobicContact CD2-CB 4.1Å; L244-V323 HydrophobicContact CD1-CG2 3.9Å; L244-N336 PolarHBondContact N-OD1 3.23Å; L244-N336 PolarHBondContact O-ND2 3.35Å; L244-L338 HydrophobicContact CD2-CB 4.19Å; L244-L338 HydrophobicContact CD2-CG 4.39Å; L244-L338 HydrophobicContact CG-CD1 4.11Å; L244-L338 HydrophobicContact CG-CG 4.29Å; L244-L338 WeakPolarHBondContact O-CD1 3.46Å |
| 245 | E | 90.9 | Very high | 71.5 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -34.4 | -172.2 | -65.3 | -167.5 | 141.2 | 0 | 0 | 112.2 | Q243 S267 K269 | Q243-E245 PolarHBondContact O-N 2.89Å; E245-S267 PolarHBondContact N-O 2.94Å; E245-K269 HydrophobicContact CG-CB 4.01Å; E245-K269 WeakPolarHBondContact OE1-CD 3.36Å; E245-K269 IonicContact OE1-NZ 2.88Å |
| 246 | N | 89.8 | Confident | 72.2 | Confident | 80 Ų | 80 | 78 Ų | 78 | 43% | 0.428 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155.7 | -179.1 | -156.2 | 0 | 0 | 0 | 0 | 112.8 | T248 S267 | N246-T248 WeakPolarHBondContact ND2-CG2 3.26Å; N246-S267 WeakPolarHBondContact CB-OG 3.34Å; N246-S267 PolarHBondContact N-O 2.81Å; N246-S267 VanDerWaalsContact N-O 3.08Å; N246-S267 PolarHBondContact O-N 2.71Å |
| 247 | V | 90.6 | Very high | 72.4 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 97.8 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | L244 V264 W265 L266 F321 L338 L340 | L244-V247 HydrophobicContact CD1-CG2 4.29Å; L244-V247 HydrophobicContact CD2-CG2 3.83Å; L244-V247 HydrophobicContact CG-CG2 4.07Å; V247-V264 HydrophobicContact CG1-CG1 3.41Å; V247-V264 VanDerWaalsContact CG1-CG1 3.41Å; V247-W265 WeakPolarHBondContact CA-O 3.38Å; V247-L266 HydrophobicContact CB-CD2 4.3Å; V247-L266 HydrophobicContact CG1-CD2 3.93Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å; V247-F321 HydrophobicContact CG1-CD2 3.73Å; V247-F321 HydrophobicContact CG1-CE2 3.94Å; V247-F321 HydrophobicContact CG1-CG 4.11Å; V247-F321 HydrophobicContact CG1-CZ 4.5Å; V247-F321 HydrophobicContact CG2-CB 4.34Å; V247-L338 HydrophobicContact CG2-CB 3.72Å; V247-L338 HydrophobicContact CG2-CD1 3.97Å; V247-L338 HydrophobicContact CG2-CG 4.43Å; V247-L340 HydrophobicContact CG1-CB 3.89Å; V247-L340 HydrophobicContact CG1-CD2 4.09Å |
| 248 | T | 87.9 | Confident | 72.2 | Confident | 58 Ų | 58 | 79.2 Ų | 79.2 | 36% | 0.356 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.9 | -175.4 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | N246 L250 V264 W265 | N246-T248 WeakPolarHBondContact ND2-CG2 3.26Å; T248-L250 PolarHBondContact O-N 2.68Å; T248-V264 CarbonylContact O-C 3.26Å; T248-V264 WeakPolarHBondContact O-CA 3.39Å; T248-W265 PolarHBondContact N-O 3.39Å; T248-W265 PolarHBondContact O-N 3.1Å |
| 249 | L | 87.3 | Confident | 72.3 | Confident | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 126.1 | 170.9 | 175.5 | 62.8 | 0 | 0 | 0 | 110.2 | W315 L340 L342 P343 | L249-W315 HydrophobicContact CD1-CH2 4.34Å; L249-W315 HydrophobicContact CD1-CZ3 4.17Å; L249-W315 HydrophobicContact CD2-CZ3 4.39Å; L249-L340 HydrophobicContact CB-CD2 4.36Å; L249-L342 HydrophobicContact CD1-CD2 3.8Å; L249-P343 HydrophobicContact CD2-CG 3.8Å |
| 250 | L | 83.7 | Confident | 72.6 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 25% | 0.246 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.3 | 167.8 | -68.1 | 167.3 | 0 | 0 | 0 | 108.8 | T248 A263 W265 E309 | T248-L250 PolarHBondContact O-N 2.68Å; L250-A263 HydrophobicContact CB-CB 4.43Å; L250-A263 WeakPolarHBondContact CB-O 3.28Å; L250-A263 HydrophobicContact CD1-CB 4.15Å; L250-A263 PolarHBondContact N-O 2.81Å; L250-W265 HydrophobicContact CD1-CB 4.25Å; L250-W265 HydrophobicContact CD1-CE3 4.26Å; L250-W265 HydrophobicContact CD2-CB 3.92Å; L250-W265 HydrophobicContact CD2-CE3 4.44Å; L250-W265 HydrophobicContact CG-CB 4Å; L250-E309 HydrophobicContact CD1-CB 4.04Å; L250-E309 HydrophobicContact CD1-CG 3.56Å |
| 251 | N | 73.9 | Confident | 72.8 | Confident | 137 Ų | 137 | 83.2 Ų | 83.2 | 73% | 0.733 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 129 | 164.2 | -68.9 | -32.6 | 0 | 0 | 0 | 108.1 | D253 | N251-D253 PolarHBondContact O-N 3.11Å; N251-D253 VanDerWaalsContact O-N 3.1Å |
| 252 | P | 63.8 | Low | 73.4 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | trans | -64 | 115.8 | 178.1 | 25.5 | -33 | 0 | 0 | 0 | 109.6 | P254 | P252-P254 WeakPolarHBondContact O-CD 3.14Š| ||
| 253 | D | 59.5 | Low | 73.4 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | trans | -68.1 | 111.4 | 178.9 | 179.5 | -6.1 | 0 | 0 | 0 | 109.6 | N251 A255 K256 | N251-D253 PolarHBondContact O-N 3.11Å; N251-D253 VanDerWaalsContact O-N 3.1Å; D253-A255 PolarHBondContact O-N 3.06Å; D253-A255 VanDerWaalsContact O-N 3.09Å; D253-A255 WeakPolarHBondContact OD1-CB 3.05Å; D253-A255 PolarHBondContact OD1-N 2.68Å; D253-A255 VanDerWaalsContact OD1-N 3.11Å; D253-K256 HydrophobicContact CB-CB 4.4Å; D253-K256 HydrophobicContact CB-CD 4.14Å; D253-K256 HydrophobicContact CB-CG 4.34Å; D253-K256 PolarHBondContact O-N 3.09Å; D253-K256 VanDerWaalsContact OD2-CD 3.27Å; D253-K256 WeakPolarHBondContact OD2-CD 3.11Å; D253-K256 WeakPolarHBondContact OD2-CE 3.27Å; D253-K256 IonicContact OD2-NZ 2.85Å; D253-K256 PolarHBondContact OD2-NZ 3.16Å | ||
| 254 | P | 57.7 | Low | 73.6 | Confident | 129 Ų | 129 | 70 Ų | 70 | 84% | 0.838 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -64.6 | -16.8 | -174.7 | 27.4 | -35.1 | 0 | 0 | 0 | 113 | P252 K256 | P252-P254 WeakPolarHBondContact O-CD 3.14Å; P254-K256 VanDerWaalsContact C-N 3.34Å |
| 255 | A | 56.2 | Low | 73.6 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -79.2 | -12.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D253 | D253-A255 PolarHBondContact O-N 3.06Å; D253-A255 VanDerWaalsContact O-N 3.09Å; D253-A255 WeakPolarHBondContact OD1-CB 3.05Å; D253-A255 PolarHBondContact OD1-N 2.68Å; D253-A255 VanDerWaalsContact OD1-N 3.11Å |
| 256 | K | 57.7 | Low | 73.7 | Confident | 152 Ų | 152 | 69.8 Ų | 69.8 | 66% | 0.661 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -101.5 | 11.8 | -173.8 | -72 | 179.5 | -177.3 | 139.7 | 0 | 115 | D253 P254 | D253-K256 HydrophobicContact CB-CB 4.4Å; D253-K256 HydrophobicContact CB-CD 4.14Å; D253-K256 HydrophobicContact CB-CG 4.34Å; D253-K256 PolarHBondContact O-N 3.09Å; D253-K256 VanDerWaalsContact OD2-CD 3.27Å; D253-K256 WeakPolarHBondContact OD2-CD 3.11Å; D253-K256 WeakPolarHBondContact OD2-CE 3.27Å; D253-K256 IonicContact OD2-NZ 2.85Å; D253-K256 PolarHBondContact OD2-NZ 3.16Å; P254-K256 VanDerWaalsContact C-N 3.34Å |
| 257 | G | 53.9 | Low | 73.8 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | trans | 73.5 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K259 | G257-K259 PolarHBondContact O-N 2.8Š| ||
| 258 | P | 51 | Low | 73.9 | Confident | 131 Ų | 131 | 67.1 Ų | 67.1 | 85% | 0.851 | 40% | 0.4 | S | S | * | . | trans | -76.6 | 93.9 | -171 | 30.4 | -35 | 0 | 0 | 0 | 112.2 | P260 | P258-P260 WeakPolarHBondContact O-CD 3.37Š| ||
| 259 | K | 53.6 | Low | 73.9 | Confident | 105 Ų | 105 | 69.9 Ų | 69.9 | 46% | 0.457 | 41% | 0.407 | S | S | . | . | trans | -72.2 | 115.7 | 155 | -75.4 | -176.5 | 172 | -179.2 | 0 | 108.3 | G257 G261 E309 | G257-K259 PolarHBondContact O-N 2.8Å; K259-G261 PolarHBondContact O-N 3.11Å; K259-E309 IonicContact NZ-OE1 2.7Å; K259-E309 PolarHBondContact NZ-OE1 3.36Å; K259-E309 IonicContact NZ-OE2 2.79Å; K259-E309 PolarHBondContact NZ-OE2 3.21Å | ||
| 260 | P | 61.3 | Low | 73.8 | Confident | 143 Ų | 143 | 69.8 Ų | 69.8 | 93% | 0.929 | 41% | 0.409 | S | S | * | . | trans | -81.7 | 18.6 | -164.5 | 33 | -37.4 | 0 | 0 | 0 | 115.2 | P258 | P258-P260 WeakPolarHBondContact O-CD 3.37Š| ||
| 261 | G | 71.8 | Confident | 73.5 | Confident | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -160.1 | 171.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K259 | K259-G261 PolarHBondContact O-N 3.11Š|
| 262 | P | 84.9 | Confident | 73.2 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | trans | -63.7 | 139.4 | 167.6 | 17.6 | -12.5 | 0 | 0 | 0 | 110.4 | L313 W315 L342 | P262-L313 HydrophobicContact CB-CB 4.4Å; P262-L313 WeakPolarHBondContact CD-O 3.39Å; P262-L313 HydrophobicContact CG-CB 3.98Å; P262-L313 WeakPolarHBondContact CG-O 3.18Å; P262-W315 HydrophobicContact CB-CD2 3.91Å; P262-W315 HydrophobicContact CB-CE3 4.01Å; P262-W315 HydrophobicContact CB-CH2 3.69Å; P262-W315 HydrophobicContact CB-CZ2 3.57Å; P262-W315 HydrophobicContact CB-CZ3 3.91Å; P262-W315 HydrophobicContact CG-CD2 3.77Å; P262-W315 HydrophobicContact CG-CE3 4.28Å; P262-W315 HydrophobicContact CG-CG 4.02Å; P262-W315 HydrophobicContact CG-CZ2 4.06Å; P262-L342 HydrophobicContact CB-CD1 4.37Å; P262-L342 HydrophobicContact CB-CD2 4.41Å; P262-L342 HydrophobicContact CG-CD1 4.32Å | ||
| 263 | A | 87.3 | Confident | 72.7 | Confident | 10 Ų | 10 | 68 Ų | 68 | 8% | 0.083 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L250 E309 L310 | L250-A263 HydrophobicContact CB-CB 4.43Å; L250-A263 WeakPolarHBondContact CB-O 3.28Å; L250-A263 HydrophobicContact CD1-CB 4.15Å; L250-A263 PolarHBondContact N-O 2.81Å; A263-E309 HydrophobicContact CB-CG 4.09Å; A263-E309 VanDerWaalsContact CB-OE1 3.25Å; A263-E309 WeakPolarHBondContact CB-OE1 3.06Å; A263-L310 CarbonylContact C-O 3.37Å; A263-L310 VanDerWaalsContact CA-O 3.27Å; A263-L310 WeakPolarHBondContact CA-O 3.48Å |
| 264 | V | 91.3 | Very high | 72.5 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.1 | -172.2 | 168.5 | 0 | 0 | 0 | 0 | 109.3 | V247 T248 L266 E309 L310 L313 L340 L342 | V247-V264 HydrophobicContact CG1-CG1 3.41Å; V247-V264 VanDerWaalsContact CG1-CG1 3.41Å; T248-V264 CarbonylContact O-C 3.26Å; T248-V264 WeakPolarHBondContact O-CA 3.39Å; V264-L266 HydrophobicContact CG1-CD2 4.05Å; V264-E309 WeakPolarHBondContact O-CA 3.38Å; V264-L310 PolarHBondContact N-O 2.81Å; V264-L310 PolarHBondContact O-N 2.81Å; V264-L313 HydrophobicContact CB-CD1 3.93Å; V264-L313 HydrophobicContact CG2-CD1 3.42Å; V264-L313 VanDerWaalsContact CG2-CD1 3.42Å; V264-L340 HydrophobicContact CG1-CD2 4.15Å; V264-L340 HydrophobicContact CG2-CD2 3.72Å; V264-L342 HydrophobicContact CG2-CD2 4.14Å |
| 265 | W | 91.3 | Very high | 72.4 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 38% | 0.383 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.8 | 174.3 | -167.9 | -94.9 | 0 | 0 | 0 | 109.5 | V247 T248 L250 S307 E309 | V247-W265 WeakPolarHBondContact CA-O 3.38Å; T248-W265 PolarHBondContact N-O 3.39Å; T248-W265 PolarHBondContact O-N 3.1Å; L250-W265 HydrophobicContact CD1-CB 4.25Å; L250-W265 HydrophobicContact CD1-CE3 4.26Å; L250-W265 HydrophobicContact CD2-CB 3.92Å; L250-W265 HydrophobicContact CD2-CE3 4.44Å; L250-W265 HydrophobicContact CG-CB 4Å; W265-S307 WeakPolarHBondContact CZ2-OG 3.49Å; W265-E309 HydrophobicContact CE3-CB 4.05Å; W265-E309 HydrophobicContact CZ3-CB 4.19Å |
| 266 | L | 93.9 | Very high | 72.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 137.6 | 173.4 | -56.3 | 178.3 | 0 | 0 | 0 | 108.4 | L244 V247 V264 W268 A282 L302 S307 A308 L310 F321 V323 | L244-L266 HydrophobicContact CD1-CB 4.29Å; V247-L266 HydrophobicContact CB-CD2 4.3Å; V247-L266 HydrophobicContact CG1-CD2 3.93Å; V247-L266 HydrophobicContact CG2-CD2 3.76Å; V264-L266 HydrophobicContact CG1-CD2 4.05Å; L266-W268 HydrophobicContact CB-CE3 4.11Å; L266-W268 HydrophobicContact CB-CZ3 3.97Å; L266-A282 HydrophobicContact CD1-CB 3.74Å; L266-L302 HydrophobicContact CD1-CD1 4.13Å; L266-L302 HydrophobicContact CD1-CD2 4.31Å; L266-S307 CarbonylContact O-C 3.45Å; L266-S307 WeakPolarHBondContact O-CA 3.42Å; L266-S307 WeakPolarHBondContact O-CB 3.45Å; L266-A308 PolarHBondContact N-O 3.36Å; L266-A308 PolarHBondContact O-N 3.09Å; L266-L310 HydrophobicContact CD1-CB 4.13Å; L266-L310 HydrophobicContact CD1-CD2 4.02Å; L266-L310 HydrophobicContact CG-CB 4.39Å; L266-F321 HydrophobicContact CD2-CB 4.42Å; L266-F321 HydrophobicContact CD2-CD1 4.08Å; L266-F321 HydrophobicContact CD2-CG 4.34Å; L266-V323 HydrophobicContact CD1-CG2 4.18Å |
| 267 | S | 91.7 | Very high | 73.5 | Confident | 30 Ų | 30 | 57.5 Ų | 57.5 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129.9 | 168.6 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | E245 N246 Q306 | E245-S267 PolarHBondContact N-O 2.94Å; N246-S267 WeakPolarHBondContact CB-OG 3.34Å; N246-S267 PolarHBondContact N-O 2.81Å; N246-S267 VanDerWaalsContact N-O 3.08Å; N246-S267 PolarHBondContact O-N 2.71Å; S267-Q306 CarbonylContact C-O 3.53Å; S267-Q306 WeakPolarHBondContact CA-O 3.37Å |
| 268 | W | 92.4 | Very high | 74.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.019 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155 | -172.8 | 63.7 | 86.5 | 0 | 0 | 0 | 112.1 | I242 Q243 L244 L266 Y280 L302 G304 W305 Q306 S307 A308 V323 | I242-W268 HydrophobicContact CD1-CG 4.21Å; I242-W268 HydrophobicContact CG1-CG 4.37Å; Q243-W268 CarbonylContact O-C 3.6Å; Q243-W268 WeakPolarHBondContact O-CA 3.38Å; Q243-W268 VanDerWaalsContact O-CB 3.32Å; Q243-W268 WeakPolarHBondContact O-CB 3.45Å; L244-W268 HydrophobicContact CD1-CB 4.18Å; L266-W268 HydrophobicContact CB-CE3 4.11Å; L266-W268 HydrophobicContact CB-CZ3 3.97Å; W268-Y280 AromaticContact CE2-CG 4Å; W268-Y280 HydrophobicContact CZ2-CD1 4.44Å; W268-Y280 AromaticContact CZ2-CD2 3.88Å; W268-Y280 HydrophobicContact CZ2-CD2 3.88Å; W268-Y280 AromaticContact CZ2-CG 3.78Å; W268-Y280 HydrophobicContact CZ2-CG 3.78Å; W268-Y280 AromaticContact NE1-CD1 3.64Å; W268-Y280 AromaticContact NE1-CE1 3.79Å; W268-Y280 AromaticContact NE1-CG 3.83Å; W268-L302 HydrophobicContact CE3-CD1 4.39Å; W268-L302 HydrophobicContact CH2-CB 4.12Å; W268-L302 HydrophobicContact CH2-CD1 3.47Å; W268-L302 VanDerWaalsContact CH2-CD1 3.47Å; W268-L302 HydrophobicContact CH2-CG 4.42Å; W268-L302 HydrophobicContact CZ2-CD1 4.24Å; W268-L302 HydrophobicContact CZ3-CD1 3.56Å; W268-G304 VanDerWaalsContact CZ2-O 3.26Å; W268-G304 WeakPolarHBondContact CZ2-O 3.42Å; W268-W305 PolarHBondContact NE1-O 2.78Å; W268-W305 VanDerWaalsContact NE1-O 3.08Å; W268-Q306 PolarHBondContact N-O 3.37Å; W268-Q306 VanDerWaalsContact O-O 3.12Å; W268-S307 VanDerWaalsContact CZ3-CA 3.48Å; W268-A308 HydrophobicContact CH2-CB 3.81Å; W268-A308 HydrophobicContact CZ3-CB 4.07Å; W268-V323 HydrophobicContact CD2-CG1 4.11Å; W268-V323 HydrophobicContact CD2-CG2 4.38Å; W268-V323 HydrophobicContact CE3-CG1 4.43Å; W268-V323 HydrophobicContact CE3-CG2 4.03Å; W268-V323 HydrophobicContact CG-CG1 4.39Å |
| 269 | K | 87.6 | Confident | 76.2 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.5 | 179.8 | -173.2 | 165.3 | -179.4 | 173.1 | 0 | 110.6 | I242 Q243 E245 | I242-K269 WeakPolarHBondContact CA-O 3.31Å; Q243-K269 PolarHBondContact N-O 2.95Å; Q243-K269 PolarHBondContact O-N 2.92Å; E245-K269 HydrophobicContact CG-CB 4.01Å; E245-K269 WeakPolarHBondContact OE1-CD 3.36Å; E245-K269 IonicContact OE1-NZ 2.88Å |
| 270 | V | 84.8 | Confident | 78 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 30% | 0.297 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.4 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 108.3 | V240 I242 Y280 | V240-V270 HydrophobicContact CG1-CG1 3.78Å; I242-V270 HydrophobicContact CG1-CG2 4.29Å; V270-Y280 HydrophobicContact CG2-CE1 4.09Å |
| 271 | S | 77.6 | Confident | 79.5 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 122.4 | 178.3 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | R241 | R241-S271 PolarHBondContact N-O 2.88Å; R241-S271 PolarHBondContact O-N 2.85Å; R241-S271 PolarHBondContact O-OG 2.83Å |
| 272 | G | 68.9 | Low | 80.5 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 46% | 0.464 | 27% | 0.273 | S | S | . | . | trans | 170.6 | 157.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A239 | A239-G272 WeakPolarHBondContact O-CA 3.03Š| ||
| 273 | P | 53.3 | Low | 80.9 | Confident | 126 Ų | 126 | 44.5 Ų | 44.5 | 82% | 0.818 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -84.6 | -5.3 | 170.7 | 34.5 | -37.2 | 0 | 0 | 0 | 114 | A239 | A239-P273 HydrophobicContact CB-CG 4.06Š|
| 274 | A | 53.5 | Low | 81.2 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -80.6 | 162.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A239 V240 | A239-A274 HydrophobicContact CB-CB 3.85Å; V240-A274 HydrophobicContact CG2-CB 3.8Å |
| 275 | A | 56.3 | Low | 81.1 | Confident | 78 Ų | 78 | 47.8 Ų | 47.8 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 146.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A277 | A275-A277 PolarHBondContact O-N 2.76Š|
| 276 | P | 64.1 | Low | 81 | Confident | 97 Ų | 97 | 45.2 Ų | 45.2 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 138.1 | 179.9 | 25.6 | -34.6 | 0 | 0 | 0 | 111 | Q278 | P276-Q278 PolarHBondContact O-N 2.8Š|
| 277 | A | 72.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 134.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A275 S279 Y280 W305 P325 S326 | A275-A277 PolarHBondContact O-N 2.76Å; A277-S279 VanDerWaalsContact C-N 3.27Å; A277-S279 PolarHBondContact O-N 3.05Å; A277-Y280 HydrophobicContact CB-CE1 4Å; A277-Y280 PolarHBondContact O-OH 3.48Å; A277-W305 VanDerWaalsContact O-CZ3 3.27Å; A277-W305 WeakPolarHBondContact O-CZ3 3.42Å; A277-P325 HydrophobicContact CB-CB 3.5Å; A277-P325 VanDerWaalsContact CB-CB 3.5Å; A277-S326 CarbonylContact C-O 3.55Å |
| 278 | Q | 77.4 | Confident | 79.2 | Confident | 120 Ų | 120 | 50.4 Ų | 50.4 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -72.8 | -21.6 | -175.3 | -64 | 174.7 | -19.4 | 0 | 0 | 112.8 | P276 S326 | P276-Q278 PolarHBondContact O-N 2.8Å; Q278-S326 PolarHBondContact N-O 2.95Å |
| 279 | S | 85.9 | Confident | 77.6 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.8 | -178 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | A277 S326 | A277-S279 VanDerWaalsContact C-N 3.27Å; A277-S279 PolarHBondContact O-N 3.05Å; S279-S326 PolarHBondContact N-O 3.05Å; S279-S326 PolarHBondContact O-N 3.1Å; S279-S326 PolarHBondContact O-OG 3.03Å; S279-S326 PolarHBondContact OG-O 2.97Å; S279-S326 PolarHBondContact OG-OG 3.19Å |
| 280 | Y | 89.9 | Confident | 75.9 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.5 | 176.5 | -59.1 | -85.5 | 0 | 0 | 0 | 109.5 | I242 W268 V270 A277 L302 W305 V323 R324 P325 | I242-Y280 HydrophobicContact CD1-CD1 3.44Å; I242-Y280 VanDerWaalsContact CD1-CD1 3.44Å; I242-Y280 HydrophobicContact CD1-CE1 3.51Å; W268-Y280 AromaticContact CE2-CG 4Å; W268-Y280 HydrophobicContact CZ2-CD1 4.44Å; W268-Y280 AromaticContact CZ2-CD2 3.88Å; W268-Y280 HydrophobicContact CZ2-CD2 3.88Å; W268-Y280 AromaticContact CZ2-CG 3.78Å; W268-Y280 HydrophobicContact CZ2-CG 3.78Å; W268-Y280 AromaticContact NE1-CD1 3.64Å; W268-Y280 AromaticContact NE1-CE1 3.79Å; W268-Y280 AromaticContact NE1-CG 3.83Å; V270-Y280 HydrophobicContact CG2-CE1 4.09Å; A277-Y280 HydrophobicContact CB-CE1 4Å; A277-Y280 PolarHBondContact O-OH 3.48Å; Y280-L302 WeakPolarHBondContact O-CB 3.35Å; Y280-L302 PolarHBondContact O-N 2.99Å; Y280-W305 HydrophobicContact CE2-CE3 4.16Å; Y280-W305 VanDerWaalsContact CE2-O 3.3Å; Y280-W305 WeakPolarHBondContact CE2-O 3.33Å; Y280-V323 HydrophobicContact CD1-CG1 4.29Å; Y280-R324 CarbonylContact C-O 3.56Å; Y280-R324 WeakPolarHBondContact CA-O 3.41Å; Y280-P325 HydrophobicContact CD1-CB 4.11Å; Y280-P325 HydrophobicContact CE1-CB 3.93Å |
| 281 | T | 92.7 | Very high | 74.3 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.8 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | E299 E300 V323 R324 | T281-E299 HydrophobicContact CG2-CB 3.81Å; T281-E299 HydrophobicContact CG2-CG 4.44Å; T281-E300 CarbonylContact C-O 3.25Å; T281-E300 WeakPolarHBondContact CA-O 3.28Å; T281-E300 WeakPolarHBondContact CG2-O 3.29Å; T281-V323 CarbonylContact O-C 3.52Å; T281-V323 WeakPolarHBondContact O-CA 3.33Å; T281-R324 PolarHBondContact N-O 2.87Å; T281-R324 PolarHBondContact O-N 2.96Å |
| 282 | A | 93.7 | Very high | 73.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L266 E299 E300 L302 L310 K322 | L266-A282 HydrophobicContact CD1-CB 3.74Å; A282-E299 WeakPolarHBondContact O-CA 3.3Å; A282-E300 PolarHBondContact N-O 2.85Å; A282-E300 PolarHBondContact O-N 3.22Å; A282-L302 HydrophobicContact CB-CD1 3.98Å; A282-L302 HydrophobicContact CB-CD2 3.75Å; A282-L302 HydrophobicContact CB-CG 3.99Å; A282-L310 HydrophobicContact CB-CD1 4.37Å; A282-L310 HydrophobicContact CB-CD2 4.02Å; A282-K322 WeakPolarHBondContact CA-O 3.5Å |
| 283 | L | 93.4 | Very high | 72.9 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.9 | 164.6 | -67.1 | 98.3 | 0 | 0 | 0 | 108.2 | W297 A298 E299 F321 K322 R324 | L283-W297 HydrophobicContact CB-CB 4.24Å; L283-W297 HydrophobicContact CB-CD2 4.26Å; L283-W297 HydrophobicContact CB-CE3 3.76Å; L283-W297 HydrophobicContact CB-CG 4.5Å; L283-W297 HydrophobicContact CB-CZ3 4.5Å; L283-W297 HydrophobicContact CD2-CB 3.92Å; L283-W297 HydrophobicContact CD2-CG 4.32Å; L283-A298 VanDerWaalsContact CA-O 3.29Å; L283-A298 WeakPolarHBondContact CA-O 3.48Å; L283-E299 HydrophobicContact CD2-CG 3.98Å; L283-E299 HydrophobicContact CG-CG 4.12Å; L283-F321 CarbonylContact O-C 3.52Å; L283-F321 WeakPolarHBondContact O-CA 3.2Å; L283-K322 HydrophobicContact CB-CB 4.26Å; L283-K322 PolarHBondContact N-O 3.05Å; L283-K322 PolarHBondContact O-N 2.84Å; L283-R324 HydrophobicContact CD1-CB 3.66Å |
| 284 | F | 92.9 | Very high | 73.3 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 152.8 | 179.2 | 66.8 | -77.8 | 0 | 0 | 0 | 112.1 | A298 E300 L310 L313 Y319 E320 F321 | F284-A298 HydrophobicContact CD1-CB 4.12Å; F284-A298 HydrophobicContact CD2-CB 4.38Å; F284-A298 HydrophobicContact CE1-CB 3.72Å; F284-A298 HydrophobicContact CE2-CB 4.03Å; F284-A298 HydrophobicContact CG-CB 4.43Å; F284-A298 HydrophobicContact CZ-CB 3.68Å; F284-A298 PolarHBondContact N-O 2.85Å; F284-A298 PolarHBondContact O-N 2.75Å; F284-E300 HydrophobicContact CE1-CB 4.03Å; F284-L310 HydrophobicContact CB-CD2 4.3Å; F284-L310 HydrophobicContact CD1-CD1 4.18Å; F284-L310 HydrophobicContact CD1-CD2 3.86Å; F284-L310 HydrophobicContact CE1-CD1 3.94Å; F284-L310 HydrophobicContact CE1-CD2 4.4Å; F284-L310 HydrophobicContact CG-CD2 4.08Å; F284-L313 HydrophobicContact CD2-CD2 3.51Å; F284-L313 HydrophobicContact CE2-CD2 3.73Å; F284-L313 HydrophobicContact CG-CD2 4.34Å; F284-Y319 HydrophobicContact CD2-CD1 4.07Å; F284-Y319 AromaticContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CE2-CE1 4.46Å; F284-E320 VanDerWaalsContact CA-O 3.26Å; F284-E320 WeakPolarHBondContact CA-O 3.5Å; F284-F321 HydrophobicContact CB-CD1 3.7Å; F284-F321 HydrophobicContact CB-CE1 3.87Å |
| 285 | R | 90.8 | Very high | 74.3 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 158 | 174.8 | 61 | 178.5 | -175.2 | 166.4 | 6.5 | 111.2 | G294 A295 W297 Y319 E320 | R285-G294 PolarHBondContact NH1-O 2.82Å; R285-A295 WeakPolarHBondContact CD-O 3.43Å; R285-A295 PolarHBondContact NH1-O 3.08Å; R285-W297 HydrophobicContact CB-CE3 4.44Å; R285-W297 HydrophobicContact CG-CD2 4.05Å; R285-W297 HydrophobicContact CG-CE3 3.86Å; R285-W297 HydrophobicContact CG-CH2 4.29Å; R285-W297 HydrophobicContact CG-CZ2 4.45Å; R285-W297 HydrophobicContact CG-CZ3 4Å; R285-W297 VanDerWaalsContact NE-CZ2 3.33Å; R285-Y319 VanDerWaalsContact C-CD1 3.45Å; R285-Y319 VanDerWaalsContact O-CA 3.29Å; R285-Y319 WeakPolarHBondContact O-CA 3.36Å; R285-Y319 VanDerWaalsContact O-CD1 3.31Å; R285-Y319 WeakPolarHBondContact O-CD1 3.35Å; R285-E320 HydrophobicContact CG-CB 4.19Å; R285-E320 IonicContact CZ-OE2 3.39Å; R285-E320 PolarHBondContact N-O 3.28Å; R285-E320 VanDerWaalsContact N-O 3.15Å; R285-E320 IonicContact NE-OE2 3.57Å; R285-E320 PolarHBondContact NE-OE2 2.86Å; R285-E320 IonicContact NH2-OE1 3.28Å; R285-E320 IonicContact NH2-OE2 2.68Å; R285-E320 PolarHBondContact NH2-OE2 2.85Å; R285-E320 PolarHBondContact O-N 3.48Å |
| 286 | T | 87.8 | Confident | 75.7 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 144.2 | 168.1 | 47.1 | 0 | 0 | 0 | 0 | 110.9 | T288 Q317 D318 Y319 | T286-T288 PolarHBondContact O-N 2.82Å; T286-Q317 HydrophobicContact CG2-CB 4.29Å; T286-Q317 HydrophobicContact CG2-CG 4.42Å; T286-D318 CarbonylContact C-O 3.23Å; T286-D318 VanDerWaalsContact CA-O 3.29Å; T286-D318 WeakPolarHBondContact CA-O 3.48Å; T286-Y319 HydrophobicContact CG2-CD1 4.35Å; T286-Y319 HydrophobicContact CG2-CE1 3.8Å; T286-Y319 HydrophobicContact CG2-CE2 4.21Å |
| 287 | Q | 80.3 | Confident | 76.9 | Confident | 87 Ų | 87 | 61.6 Ų | 61.6 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | trans | -77.4 | 116 | 177.7 | -173.5 | 168.6 | 41 | 0 | 0 | 110.2 | D318 | Q287-D318 HydrophobicContact CB-CB 3.87Å; Q287-D318 PolarHBondContact N-O 2.78Å | ||
| 288 | T | 66.9 | Low | 77.8 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | trans | -81.6 | 161.8 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | T286 G294 A295 | T286-T288 PolarHBondContact O-N 2.82Å; T288-G294 VanDerWaalsContact OG1-CA 3.22Å; T288-G294 WeakPolarHBondContact OG1-CA 3.37Å; T288-A295 HydrophobicContact CG2-CB 4.15Å | ||
| 289 | A | 59.2 | Low | 78.5 | Confident | 61 Ų | 61 | 62 Ų | 62 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | trans | -60.3 | 149.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G291 D292 | A289-G291 PolarHBondContact O-N 2.98Å; A289-D292 PolarHBondContact O-N 2.76Å | ||
| 290 | P | 51.6 | Low | 78.8 | Confident | 143 Ų | 143 | 65.3 Ų | 65.3 | 93% | 0.929 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 88.6 | -179.5 | 29.3 | -35.1 | 0 | 0 | 0 | 111.3 | ||
| 291 | G | 52.3 | Low | 78.8 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 79% | 0.794 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.3 | -30.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A289 | A289-G291 PolarHBondContact O-N 2.98Š|
| 292 | D | 58.3 | Low | 78.7 | Confident | 114 Ų | 114 | 70.4 Ų | 70.4 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -79.6 | 156 | -178.9 | -67.4 | -51.6 | 0 | 0 | 0 | 113.2 | A289 G294 | A289-D292 PolarHBondContact O-N 2.76Å; D292-G294 VanDerWaalsContact C-N 3.34Å; D292-G294 PolarHBondContact O-N 3.04Å |
| 293 | Q | 58 | Low | 78.2 | Confident | 203 Ų | 203 | 75.6 Ų | 75.6 | 95% | 0.949 | 45% | 0.454 | S | S | * | . | trans | -68.3 | 94.9 | 164.4 | -66.2 | -173.7 | 9.7 | 0 | 0 | 108.3 | ||||
| 294 | G | 63.3 | Low | 77.6 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 147.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R285 T288 D292 | R285-G294 PolarHBondContact NH1-O 2.82Å; T288-G294 VanDerWaalsContact OG1-CA 3.22Å; T288-G294 WeakPolarHBondContact OG1-CA 3.37Å; D292-G294 VanDerWaalsContact C-N 3.34Å; D292-G294 PolarHBondContact O-N 3.04Å |
| 295 | A | 72.8 | Confident | 77 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 22% | 0.223 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -47.9 | 148.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | R285 T288 | R285-A295 WeakPolarHBondContact CD-O 3.43Å; R285-A295 PolarHBondContact NH1-O 3.08Å; T288-A295 HydrophobicContact CG2-CB 4.15Å |
| 296 | P | 86.6 | Confident | 76.8 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 78% | 0.779 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 146.5 | 173.7 | 27.6 | -35.1 | 0 | 0 | 0 | 110.5 | ||
| 297 | W | 89.2 | Confident | 76.9 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 26% | 0.261 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 127.3 | 175.4 | -62.8 | 85.2 | 0 | 0 | 0 | 109.9 | L283 R285 E320 K322 V337 | L283-W297 HydrophobicContact CB-CB 4.24Å; L283-W297 HydrophobicContact CB-CD2 4.26Å; L283-W297 HydrophobicContact CB-CE3 3.76Å; L283-W297 HydrophobicContact CB-CG 4.5Å; L283-W297 HydrophobicContact CB-CZ3 4.5Å; L283-W297 HydrophobicContact CD2-CB 3.92Å; L283-W297 HydrophobicContact CD2-CG 4.32Å; R285-W297 HydrophobicContact CB-CE3 4.44Å; R285-W297 HydrophobicContact CG-CD2 4.05Å; R285-W297 HydrophobicContact CG-CE3 3.86Å; R285-W297 HydrophobicContact CG-CH2 4.29Å; R285-W297 HydrophobicContact CG-CZ2 4.45Å; R285-W297 HydrophobicContact CG-CZ3 4Å; R285-W297 VanDerWaalsContact NE-CZ2 3.33Å; W297-E320 HydrophobicContact CH2-CB 3.77Å; W297-E320 HydrophobicContact CZ3-CB 4Å; W297-K322 HydrophobicContact CH2-CD 3.82Å; W297-K322 HydrophobicContact CH2-CG 4.05Å; W297-K322 HydrophobicContact CZ2-CD 4.06Å; W297-K322 HydrophobicContact CZ3-CD 4.1Å; W297-K322 HydrophobicContact CZ3-CG 4.16Å; W297-V337 HydrophobicContact CH2-CG2 4.27Å |
| 298 | A | 90.4 | Very high | 77.4 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 137.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109 | L283 F284 | L283-A298 VanDerWaalsContact CA-O 3.29Å; L283-A298 WeakPolarHBondContact CA-O 3.48Å; F284-A298 HydrophobicContact CD1-CB 4.12Å; F284-A298 HydrophobicContact CD2-CB 4.38Å; F284-A298 HydrophobicContact CE1-CB 3.72Å; F284-A298 HydrophobicContact CE2-CB 4.03Å; F284-A298 HydrophobicContact CG-CB 4.43Å; F284-A298 HydrophobicContact CZ-CB 3.68Å; F284-A298 PolarHBondContact N-O 2.85Å; F284-A298 PolarHBondContact O-N 2.75Å |
| 299 | E | 92.9 | Very high | 78.5 | Confident | 85 Ų | 85 | 83.5 Ų | 83.5 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.3 | 176.6 | -60.3 | -161.2 | 157 | 0 | 0 | 109.7 | T281 A282 L283 R324 R331 | T281-E299 HydrophobicContact CG2-CB 3.81Å; T281-E299 HydrophobicContact CG2-CG 4.44Å; A282-E299 WeakPolarHBondContact O-CA 3.3Å; L283-E299 HydrophobicContact CD2-CG 3.98Å; L283-E299 HydrophobicContact CG-CG 4.12Å; E299-R324 IonicContact OE1-CZ 3.21Å; E299-R324 IonicContact OE1-NH1 2.82Å; E299-R324 PolarHBondContact OE1-NH1 2.95Å; E299-R331 VanDerWaalsContact CD-NH1 3.29Å; E299-R331 IonicContact OE1-CZ 2.66Å; E299-R331 IonicContact OE1-NH1 3.17Å; E299-R331 PolarHBondContact OE1-NH1 3.07Å; E299-R331 IonicContact OE2-CZ 3.62Å; E299-R331 VanDerWaalsContact OE2-CZ 3.27Å; E299-R331 IonicContact OE2-NH1 3.78Å; E299-R331 PolarHBondContact OE2-NH1 2.88Å; E299-R331 IonicContact OE2-NH2 2.66Å; E299-R331 PolarHBondContact OE2-NH2 3.43Å |
| 300 | E | 91.7 | Very high | 80 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.2 | 176.7 | 178.7 | 68.6 | 164 | 0 | 0 | 110.8 | T281 A282 F284 L310 | T281-E300 CarbonylContact C-O 3.25Å; T281-E300 WeakPolarHBondContact CA-O 3.28Å; T281-E300 WeakPolarHBondContact CG2-O 3.29Å; A282-E300 PolarHBondContact N-O 2.85Å; A282-E300 PolarHBondContact O-N 3.22Å; F284-E300 HydrophobicContact CE1-CB 4.03Å; E300-L310 HydrophobicContact CB-CD1 3.84Å; E300-L310 HydrophobicContact CG-CD1 3.74Å |
| 301 | L | 91.3 | Very high | 81.7 | Confident | 118 Ų | 118 | 75.4 Ų | 75.4 | 62% | 0.618 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.6 | -176.8 | -172.6 | 68.8 | 0 | 0 | 0 | 111.4 | ||
| 302 | L | 89.9 | Confident | 83.1 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.063 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 128.4 | -176.6 | -59.4 | -179.4 | 0 | 0 | 0 | 111.9 | L266 W268 Y280 A282 G304 A308 V323 | L266-L302 HydrophobicContact CD1-CD1 4.13Å; L266-L302 HydrophobicContact CD1-CD2 4.31Å; W268-L302 HydrophobicContact CE3-CD1 4.39Å; W268-L302 HydrophobicContact CH2-CB 4.12Å; W268-L302 HydrophobicContact CH2-CD1 3.47Å; W268-L302 VanDerWaalsContact CH2-CD1 3.47Å; W268-L302 HydrophobicContact CH2-CG 4.42Å; W268-L302 HydrophobicContact CZ2-CD1 4.24Å; W268-L302 HydrophobicContact CZ3-CD1 3.56Å; Y280-L302 WeakPolarHBondContact O-CB 3.35Å; Y280-L302 PolarHBondContact O-N 2.99Å; A282-L302 HydrophobicContact CB-CD1 3.98Å; A282-L302 HydrophobicContact CB-CD2 3.75Å; A282-L302 HydrophobicContact CB-CG 3.99Å; L302-G304 PolarHBondContact O-N 2.86Å; L302-A308 HydrophobicContact CB-CB 3.87Å; L302-A308 HydrophobicContact CD1-CB 4.42Å; L302-A308 HydrophobicContact CD2-CB 4Å; L302-A308 HydrophobicContact CG-CB 4.32Å; L302-V323 HydrophobicContact CD1-CG1 4.05Å; L302-V323 HydrophobicContact CD1-CG2 4.06Å |
| 303 | A | 83.2 | Confident | 84.5 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 89% | 0.893 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -77.6 | 6.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 304 | G | 80.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 17% | 0.165 | 38% | 0.382 | C | S | . | . | trans | -133.5 | 162.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W268 L302 S307 | W268-G304 VanDerWaalsContact CZ2-O 3.26Å; W268-G304 WeakPolarHBondContact CZ2-O 3.42Å; L302-G304 PolarHBondContact O-N 2.86Å; G304-S307 WeakPolarHBondContact CA-O 3.33Å | ||
| 305 | W | 80.6 | Confident | 86.8 | Confident | 159 Ų | 159 | 64.7 Ų | 64.7 | 60% | 0.602 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -96.4 | -27.7 | -168.1 | -65.4 | 84.6 | 0 | 0 | 0 | 114.9 | W268 A277 Y280 | W268-W305 PolarHBondContact NE1-O 2.78Å; W268-W305 VanDerWaalsContact NE1-O 3.08Å; A277-W305 VanDerWaalsContact O-CZ3 3.27Å; A277-W305 WeakPolarHBondContact O-CZ3 3.42Å; Y280-W305 HydrophobicContact CE2-CE3 4.16Å; Y280-W305 VanDerWaalsContact CE2-O 3.3Å; Y280-W305 WeakPolarHBondContact CE2-O 3.33Å |
| 306 | Q | 86.8 | Confident | 87.3 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -138 | -11.4 | 179.8 | -67.5 | -179.4 | -11.9 | 0 | 0 | 112.4 | S267 W268 | S267-Q306 CarbonylContact C-O 3.53Å; S267-Q306 WeakPolarHBondContact CA-O 3.37Å; W268-Q306 PolarHBondContact N-O 3.37Å; W268-Q306 VanDerWaalsContact O-O 3.12Å |
| 307 | S | 89.5 | Confident | 87.2 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 153.9 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | W265 L266 W268 G304 | W265-S307 WeakPolarHBondContact CZ2-OG 3.49Å; L266-S307 CarbonylContact O-C 3.45Å; L266-S307 WeakPolarHBondContact O-CA 3.42Å; L266-S307 WeakPolarHBondContact O-CB 3.45Å; W268-S307 VanDerWaalsContact CZ3-CA 3.48Å; G304-S307 WeakPolarHBondContact CA-O 3.33Å |
| 308 | A | 90.6 | Very high | 87.1 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 156.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L266 W268 L302 | L266-A308 PolarHBondContact N-O 3.36Å; L266-A308 PolarHBondContact O-N 3.09Å; W268-A308 HydrophobicContact CH2-CB 3.81Å; W268-A308 HydrophobicContact CZ3-CB 4.07Å; L302-A308 HydrophobicContact CB-CB 3.87Å; L302-A308 HydrophobicContact CD1-CB 4.42Å; L302-A308 HydrophobicContact CD2-CB 4Å; L302-A308 HydrophobicContact CG-CB 4.32Å |
| 309 | E | 90.9 | Very high | 87.1 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.3 | 166.1 | 175.5 | 171 | -174.9 | 0 | 0 | 110.4 | L250 K259 A263 V264 W265 | L250-E309 HydrophobicContact CD1-CB 4.04Å; L250-E309 HydrophobicContact CD1-CG 3.56Å; K259-E309 IonicContact NZ-OE1 2.7Å; K259-E309 PolarHBondContact NZ-OE1 3.36Å; K259-E309 IonicContact NZ-OE2 2.79Å; K259-E309 PolarHBondContact NZ-OE2 3.21Å; A263-E309 HydrophobicContact CB-CG 4.09Å; A263-E309 VanDerWaalsContact CB-OE1 3.25Å; A263-E309 WeakPolarHBondContact CB-OE1 3.06Å; V264-E309 WeakPolarHBondContact O-CA 3.38Å; W265-E309 HydrophobicContact CE3-CB 4.05Å; W265-E309 HydrophobicContact CZ3-CB 4.19Å |
| 310 | L | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.9 | 170.8 | 174 | 62 | 0 | 0 | 0 | 108.8 | A263 V264 L266 A282 F284 E300 F321 | A263-L310 CarbonylContact C-O 3.37Å; A263-L310 VanDerWaalsContact CA-O 3.27Å; A263-L310 WeakPolarHBondContact CA-O 3.48Å; V264-L310 PolarHBondContact N-O 2.81Å; V264-L310 PolarHBondContact O-N 2.81Å; L266-L310 HydrophobicContact CD1-CB 4.13Å; L266-L310 HydrophobicContact CD1-CD2 4.02Å; L266-L310 HydrophobicContact CG-CB 4.39Å; A282-L310 HydrophobicContact CB-CD1 4.37Å; A282-L310 HydrophobicContact CB-CD2 4.02Å; F284-L310 HydrophobicContact CB-CD2 4.3Å; F284-L310 HydrophobicContact CD1-CD1 4.18Å; F284-L310 HydrophobicContact CD1-CD2 3.86Å; F284-L310 HydrophobicContact CE1-CD1 3.94Å; F284-L310 HydrophobicContact CE1-CD2 4.4Å; F284-L310 HydrophobicContact CG-CD2 4.08Å; E300-L310 HydrophobicContact CB-CD1 3.84Å; E300-L310 HydrophobicContact CG-CD1 3.74Å; L310-F321 HydrophobicContact CD2-CD1 3.83Å; L310-F321 HydrophobicContact CD2-CE1 3.7Å |
| 311 | G | 86.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | trans | -101.1 | -161.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L313 | G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 3.21Å | ||
| 312 | G | 82.4 | Confident | 87.3 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | trans | 73.2 | 15 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 313 | L | 86.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | trans | -87.6 | 173.6 | 179.8 | -58.5 | 169.6 | 0 | 0 | 0 | 111.3 | P262 V264 F284 G311 Y319 F321 L342 | P262-L313 HydrophobicContact CB-CB 4.4Å; P262-L313 WeakPolarHBondContact CD-O 3.39Å; P262-L313 HydrophobicContact CG-CB 3.98Å; P262-L313 WeakPolarHBondContact CG-O 3.18Å; V264-L313 HydrophobicContact CB-CD1 3.93Å; V264-L313 HydrophobicContact CG2-CD1 3.42Å; V264-L313 VanDerWaalsContact CG2-CD1 3.42Å; F284-L313 HydrophobicContact CD2-CD2 3.51Å; F284-L313 HydrophobicContact CE2-CD2 3.73Å; F284-L313 HydrophobicContact CG-CD2 4.34Å; G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 3.21Å; L313-Y319 HydrophobicContact CB-CE2 4.26Å; L313-Y319 HydrophobicContact CD2-CD1 3.77Å; L313-Y319 HydrophobicContact CD2-CD2 4.33Å; L313-Y319 HydrophobicContact CD2-CE1 3.61Å; L313-Y319 HydrophobicContact CD2-CE2 4.16Å; L313-Y319 HydrophobicContact CD2-CG 4.15Å; L313-F321 HydrophobicContact CD1-CE1 4.16Å; L313-F321 HydrophobicContact CD1-CZ 4.04Å; L313-F321 HydrophobicContact CD2-CE1 4.08Å; L313-F321 HydrophobicContact CD2-CZ 4.2Å; L313-L342 HydrophobicContact CB-CD1 3.87Å; L313-L342 HydrophobicContact CD1-CD1 4.31Å | ||
| 314 | H | 84.6 | Confident | 87.8 | Confident | 98 Ų | 98 | 43.8 Ų | 43.8 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | trans | -121.1 | 141.1 | 176.1 | -68.3 | -86.9 | 0 | 0 | 0 | 111.5 | Q317 Y319 L342 | H314-Q317 HydrophobicContact CB-CG 4.16Å; H314-Y319 PolarHBondContact N-OH 3.17Å; H314-L342 WeakPolarHBondContact O-CD1 3.31Å | ||
| 315 | W | 85.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 43 Ų | 43 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 150.3 | 179.6 | -63.5 | 104.2 | 0 | 0 | 0 | 112.2 | L249 P262 Q317 P343 K345 N376 | L249-W315 HydrophobicContact CD1-CH2 4.34Å; L249-W315 HydrophobicContact CD1-CZ3 4.17Å; L249-W315 HydrophobicContact CD2-CZ3 4.39Å; P262-W315 HydrophobicContact CB-CD2 3.91Å; P262-W315 HydrophobicContact CB-CE3 4.01Å; P262-W315 HydrophobicContact CB-CH2 3.69Å; P262-W315 HydrophobicContact CB-CZ2 3.57Å; P262-W315 HydrophobicContact CB-CZ3 3.91Å; P262-W315 HydrophobicContact CG-CD2 3.77Å; P262-W315 HydrophobicContact CG-CE3 4.28Å; P262-W315 HydrophobicContact CG-CG 4.02Å; P262-W315 HydrophobicContact CG-CZ2 4.06Å; W315-Q317 PolarHBondContact O-N 2.83Å; W315-P343 HydrophobicContact CE3-CG 4.11Å; W315-P343 HydrophobicContact CZ3-CG 3.99Å; W315-K345 HydrophobicContact CB-CB 4.46Å; W315-K345 HydrophobicContact CB-CG 4.48Å; W315-K345 HydrophobicContact CD2-CD 3.66Å; W315-K345 HydrophobicContact CD2-CG 4.06Å; W315-K345 VanDerWaalsContact CE2-CE 3.5Å; W315-K345 VanDerWaalsContact CE2-NZ 3.33Å; W315-K345 HydrophobicContact CE3-CD 4.09Å; W315-K345 HydrophobicContact CE3-CG 4.18Å; W315-K345 HydrophobicContact CG-CB 4.48Å; W315-K345 HydrophobicContact CG-CD 3.92Å; W315-K345 HydrophobicContact CG-CG 4.17Å; W315-K345 HydrophobicContact CZ2-CD 4.31Å; W315-N376 CarbonylContact C-O 3.49Å; W315-N376 HydrophobicContact CB-CB 3.92Å; W315-N376 CarbonylContact O-C 3.58Å; W315-N376 VanDerWaalsContact O-C 3.26Å |
| 316 | G | 82.1 | Confident | 88.3 | Confident | 15 Ų | 15 | 36 Ų | 36 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 18.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | L342 P343 | G316-L342 WeakPolarHBondContact CA-O 3.43Å; G316-P343 PolarHBondContact N-O 3.46Å |
| 317 | Q | 85.1 | Confident | 87.9 | Confident | 83 Ų | 83 | 31.3 Ų | 31.3 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | trans | -109.5 | 145.8 | 177.4 | -71.5 | -70.7 | -16.5 | 0 | 0 | 111 | T286 H314 W315 Y319 L342 | T286-Q317 HydrophobicContact CG2-CB 4.29Å; T286-Q317 HydrophobicContact CG2-CG 4.42Å; H314-Q317 HydrophobicContact CB-CG 4.16Å; W315-Q317 PolarHBondContact O-N 2.83Å; Q317-Y319 HydrophobicContact CB-CD2 4.03Å; Q317-Y319 HydrophobicContact CB-CE2 3.55Å; Q317-L342 WeakPolarHBondContact O-CB 3.27Å; Q317-L342 PolarHBondContact O-N 2.96Å | ||
| 318 | D | 87.3 | Confident | 87.1 | Confident | 38 Ų | 38 | 32.3 Ų | 32.3 | 20% | 0.203 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.2 | 169.7 | -74 | -25.1 | 0 | 0 | 0 | 109.6 | T286 Q287 R341 | T286-D318 CarbonylContact C-O 3.23Å; T286-D318 VanDerWaalsContact CA-O 3.29Å; T286-D318 WeakPolarHBondContact CA-O 3.48Å; Q287-D318 HydrophobicContact CB-CB 3.87Å; Q287-D318 PolarHBondContact N-O 2.78Å; D318-R341 VanDerWaalsContact OD1-CA 3.26Å; D318-R341 WeakPolarHBondContact OD1-CA 3.41Å; D318-R341 WeakPolarHBondContact OD1-CB 3.38Å; D318-R341 WeakPolarHBondContact OD1-CD 3.25Å; D318-R341 WeakPolarHBondContact OD1-CG 3.35Å; D318-R341 IonicContact OD1-CZ 2.66Å; D318-R341 IonicContact OD1-NE 3.8Å; D318-R341 PolarHBondContact OD1-NE 2.93Å; D318-R341 IonicContact OD1-NH2 3.71Å; D318-R341 IonicContact OD2-CZ 2.71Å; D318-R341 IonicContact OD2-NE 3.41Å; D318-R341 PolarHBondContact OD2-NE 2.88Å; D318-R341 IonicContact OD2-NH2 3.59Å; D318-R341 PolarHBondContact OD2-NH2 2.83Å |
| 319 | Y | 90.5 | Very high | 86 | Confident | 11 Ų | 11 | 44 Ų | 44 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.8 | 179.2 | -80 | -93 | 0 | 0 | 0 | 112.6 | F284 R285 T286 L313 H314 Q317 F321 L339 L340 L342 | F284-Y319 HydrophobicContact CD2-CD1 4.07Å; F284-Y319 AromaticContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CD2-CE1 3.94Å; F284-Y319 HydrophobicContact CE2-CE1 4.46Å; R285-Y319 VanDerWaalsContact C-CD1 3.45Å; R285-Y319 VanDerWaalsContact O-CA 3.29Å; R285-Y319 WeakPolarHBondContact O-CA 3.36Å; R285-Y319 VanDerWaalsContact O-CD1 3.31Å; R285-Y319 WeakPolarHBondContact O-CD1 3.35Å; T286-Y319 HydrophobicContact CG2-CD1 4.35Å; T286-Y319 HydrophobicContact CG2-CE1 3.8Å; T286-Y319 HydrophobicContact CG2-CE2 4.21Å; L313-Y319 HydrophobicContact CB-CE2 4.26Å; L313-Y319 HydrophobicContact CD2-CD1 3.77Å; L313-Y319 HydrophobicContact CD2-CD2 4.33Å; L313-Y319 HydrophobicContact CD2-CE1 3.61Å; L313-Y319 HydrophobicContact CD2-CE2 4.16Å; L313-Y319 HydrophobicContact CD2-CG 4.15Å; H314-Y319 PolarHBondContact N-OH 3.17Å; Q317-Y319 HydrophobicContact CB-CD2 4.03Å; Q317-Y319 HydrophobicContact CB-CE2 3.55Å; Y319-F321 HydrophobicContact CG-CE2 4.36Å; Y319-F321 HydrophobicContact CG-CZ 4.05Å; Y319-L339 VanDerWaalsContact O-CA 3.31Å; Y319-L339 WeakPolarHBondContact O-CA 3.35Å; Y319-L340 PolarHBondContact N-O 2.88Å; Y319-L340 PolarHBondContact O-N 2.8Å; Y319-L342 HydrophobicContact CD2-CD1 3.64Å; Y319-L342 HydrophobicContact CD2-CG 4.38Å; Y319-L342 HydrophobicContact CE2-CD1 3.68Å |
| 320 | E | 92.8 | Very high | 85.1 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137 | 163.8 | -63 | -176.4 | 168.6 | 0 | 0 | 109.5 | F284 R285 W297 V337 L339 | F284-E320 VanDerWaalsContact CA-O 3.26Å; F284-E320 WeakPolarHBondContact CA-O 3.5Å; R285-E320 HydrophobicContact CG-CB 4.19Å; R285-E320 IonicContact CZ-OE2 3.39Å; R285-E320 PolarHBondContact N-O 3.28Å; R285-E320 VanDerWaalsContact N-O 3.15Å; R285-E320 IonicContact NE-OE2 3.57Å; R285-E320 PolarHBondContact NE-OE2 2.86Å; R285-E320 IonicContact NH2-OE1 3.28Å; R285-E320 IonicContact NH2-OE2 2.68Å; R285-E320 PolarHBondContact NH2-OE2 2.85Å; R285-E320 PolarHBondContact O-N 3.48Å; W297-E320 HydrophobicContact CH2-CB 3.77Å; W297-E320 HydrophobicContact CZ3-CB 4Å; E320-V337 HydrophobicContact CB-CG1 3.9Å; E320-V337 HydrophobicContact CG-CG1 4.23Å; E320-L339 HydrophobicContact CG-CD2 3.98Å; E320-L339 HydrophobicContact CG-CG 4.17Å |
| 321 | F | 93.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.9 | 179.4 | -60.1 | -92.1 | 0 | 0 | 0 | 111.7 | L244 V247 L266 L283 F284 L310 L313 Y319 V337 L338 L340 | L244-F321 HydrophobicContact CD2-CB 4.1Å; V247-F321 HydrophobicContact CG1-CD2 3.73Å; V247-F321 HydrophobicContact CG1-CE2 3.94Å; V247-F321 HydrophobicContact CG1-CG 4.11Å; V247-F321 HydrophobicContact CG1-CZ 4.5Å; V247-F321 HydrophobicContact CG2-CB 4.34Å; L266-F321 HydrophobicContact CD2-CB 4.42Å; L266-F321 HydrophobicContact CD2-CD1 4.08Å; L266-F321 HydrophobicContact CD2-CG 4.34Å; L283-F321 CarbonylContact O-C 3.52Å; L283-F321 WeakPolarHBondContact O-CA 3.2Å; F284-F321 HydrophobicContact CB-CD1 3.7Å; F284-F321 HydrophobicContact CB-CE1 3.87Å; L310-F321 HydrophobicContact CD2-CD1 3.83Å; L310-F321 HydrophobicContact CD2-CE1 3.7Å; L313-F321 HydrophobicContact CD1-CE1 4.16Å; L313-F321 HydrophobicContact CD1-CZ 4.04Å; L313-F321 HydrophobicContact CD2-CE1 4.08Å; L313-F321 HydrophobicContact CD2-CZ 4.2Å; Y319-F321 HydrophobicContact CG-CE2 4.36Å; Y319-F321 HydrophobicContact CG-CZ 4.05Å; F321-V337 VanDerWaalsContact O-CA 3.3Å; F321-V337 WeakPolarHBondContact O-CA 3.4Å; F321-L338 PolarHBondContact N-O 2.78Å; F321-L338 PolarHBondContact O-N 2.81Å; F321-L340 HydrophobicContact CD2-CB 4.44Å; F321-L340 HydrophobicContact CE2-CB 3.84Å |
| 322 | K | 93.4 | Very high | 84.4 | Confident | 38 Ų | 38 | 46 Ų | 46 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 164.3 | 166.5 | -68.5 | 168 | 156.7 | -173.3 | 0 | 109.8 | A282 L283 W297 D334 S335 V337 | A282-K322 WeakPolarHBondContact CA-O 3.5Å; L283-K322 HydrophobicContact CB-CB 4.26Å; L283-K322 PolarHBondContact N-O 3.05Å; L283-K322 PolarHBondContact O-N 2.84Å; W297-K322 HydrophobicContact CH2-CD 3.82Å; W297-K322 HydrophobicContact CH2-CG 4.05Å; W297-K322 HydrophobicContact CZ2-CD 4.06Å; W297-K322 HydrophobicContact CZ3-CD 4.1Å; W297-K322 HydrophobicContact CZ3-CG 4.16Å; K322-D334 HydrophobicContact CD-CB 4.09Å; K322-D334 WeakPolarHBondContact CD-OD2 3.47Å; K322-D334 IonicContact NZ-OD2 3.43Å; K322-D334 PolarHBondContact NZ-OD2 3.39Å; K322-S335 VanDerWaalsContact CA-OG 3.25Å; K322-S335 WeakPolarHBondContact CA-OG 3.32Å; K322-V337 HydrophobicContact CD-CG2 4.24Å; K322-V337 HydrophobicContact CG-CG2 3.86Å |
| 323 | V | 92.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.9 | 166 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | I242 L244 L266 W268 Y280 T281 L302 S335 | I242-V323 HydrophobicContact CD1-CG1 4.01Å; I242-V323 WeakPolarHBondContact CG2-O 3.33Å; L244-V323 HydrophobicContact CD1-CG2 3.9Å; L266-V323 HydrophobicContact CD1-CG2 4.18Å; W268-V323 HydrophobicContact CD2-CG1 4.11Å; W268-V323 HydrophobicContact CD2-CG2 4.38Å; W268-V323 HydrophobicContact CE3-CG1 4.43Å; W268-V323 HydrophobicContact CE3-CG2 4.03Å; W268-V323 HydrophobicContact CG-CG1 4.39Å; Y280-V323 HydrophobicContact CD1-CG1 4.29Å; T281-V323 CarbonylContact O-C 3.52Å; T281-V323 WeakPolarHBondContact O-CA 3.33Å; L302-V323 HydrophobicContact CD1-CG1 4.05Å; L302-V323 HydrophobicContact CD1-CG2 4.06Å; V323-S335 PolarHBondContact N-OG 3.43Å; V323-S335 WeakPolarHBondContact O-CB 3.5Å; V323-S335 PolarHBondContact O-N 2.88Å |
| 324 | R | 90.8 | Very high | 84.7 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.9 | 177.3 | -175.1 | -176.7 | -64.2 | 140.7 | 0.1 | 110.4 | Y280 T281 L283 E299 G332 D334 | Y280-R324 CarbonylContact C-O 3.56Å; Y280-R324 WeakPolarHBondContact CA-O 3.41Å; T281-R324 PolarHBondContact N-O 2.87Å; T281-R324 PolarHBondContact O-N 2.96Å; L283-R324 HydrophobicContact CD1-CB 3.66Å; E299-R324 IonicContact OE1-CZ 3.21Å; E299-R324 IonicContact OE1-NH1 2.82Å; E299-R324 PolarHBondContact OE1-NH1 2.95Å; R324-G332 VanDerWaalsContact CG-O 3.27Å; R324-G332 WeakPolarHBondContact CG-O 3.02Å; R324-D334 IonicContact CZ-OD1 2.74Å; R324-D334 IonicContact NE-OD1 2.71Å; R324-D334 PolarHBondContact NE-OD1 3.11Å; R324-D334 IonicContact NH2-OD1 3.94Å; R324-D334 PolarHBondContact NH2-OD1 2.91Å; R324-D334 IonicContact NH2-OD2 3.96Å |
| 325 | P | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 144.6 | 171.8 | 28.6 | -26.4 | 0 | 0 | 0 | 111.7 | L237 V240 I242 A277 Y280 G332 P333 | L237-P325 HydrophobicContact CD1-CB 4.48Å; V240-P325 HydrophobicContact CG1-CB 4.32Å; V240-P325 HydrophobicContact CG1-CG 4.16Å; I242-P325 HydrophobicContact CD1-CB 4.36Å; I242-P325 HydrophobicContact CD1-CG 4.46Å; A277-P325 HydrophobicContact CB-CB 3.5Å; A277-P325 VanDerWaalsContact CB-CB 3.5Å; Y280-P325 HydrophobicContact CD1-CB 4.11Å; Y280-P325 HydrophobicContact CE1-CB 3.93Å; P325-G332 PolarHBondContact O-N 3.49Å; P325-P333 WeakPolarHBondContact CD-O 3.46Å |
| 326 | S | 83.1 | Confident | 85.3 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.5 | 175.9 | 41.6 | 0 | 0 | 0 | 0 | 112.8 | A277 Q278 S279 A330 | A277-S326 CarbonylContact C-O 3.55Å; Q278-S326 PolarHBondContact N-O 2.95Å; S279-S326 PolarHBondContact N-O 3.05Å; S279-S326 PolarHBondContact O-N 3.1Å; S279-S326 PolarHBondContact O-OG 3.03Å; S279-S326 PolarHBondContact OG-O 2.97Å; S279-S326 PolarHBondContact OG-OG 3.19Å; S326-A330 VanDerWaalsContact CA-O 3.29Å; S326-A330 WeakPolarHBondContact CA-O 3.4Å |
| 327 | S | 78.8 | Confident | 85.7 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 111.4 | 179.4 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | R329 A330 | S327-R329 PolarHBondContact O-N 2.81Å; S327-R329 VanDerWaalsContact O-N 3.11Å; S327-A330 PolarHBondContact N-O 2.93Å; S327-A330 WeakPolarHBondContact O-CB 3.48Å; S327-A330 PolarHBondContact O-N 3.42Å |
| 328 | G | 73.9 | Confident | 86.1 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 65% | 0.649 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | -114.4 | -167 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 329 | R | 67 | Low | 86.2 | Confident | 251 Ų | 251 | 48.8 Ų | 48.8 | 95% | 0.947 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.3 | 173.9 | -61.6 | -174.2 | -177.3 | -171.2 | 1.2 | 114 | S327 | S327-R329 PolarHBondContact O-N 2.81Å; S327-R329 VanDerWaalsContact O-N 3.11Å |
| 330 | A | 71 | Confident | 86.2 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | V235 S326 S327 | V235-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 VanDerWaalsContact CA-O 3.29Å; S326-A330 WeakPolarHBondContact CA-O 3.4Å; S327-A330 PolarHBondContact N-O 2.93Å; S327-A330 WeakPolarHBondContact O-CB 3.48Å; S327-A330 PolarHBondContact O-N 3.42Å |
| 331 | R | 81.6 | Confident | 86 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 48% | 0.479 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.2 | 172 | -72.6 | -179.3 | 173.4 | -134.3 | -9.7 | 108.4 | E299 | E299-R331 VanDerWaalsContact CD-NH1 3.29Å; E299-R331 IonicContact OE1-CZ 2.66Å; E299-R331 IonicContact OE1-NH1 3.17Å; E299-R331 PolarHBondContact OE1-NH1 3.07Å; E299-R331 IonicContact OE2-CZ 3.62Å; E299-R331 VanDerWaalsContact OE2-CZ 3.27Å; E299-R331 IonicContact OE2-NH1 3.78Å; E299-R331 PolarHBondContact OE2-NH1 2.88Å; E299-R331 IonicContact OE2-NH2 2.66Å; E299-R331 PolarHBondContact OE2-NH2 3.43Å |
| 332 | G | 80.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | trans | -94.7 | -176.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | R324 P325 | R324-G332 VanDerWaalsContact CG-O 3.27Å; R324-G332 WeakPolarHBondContact CG-O 3.02Å; P325-G332 PolarHBondContact O-N 3.49Å | ||
| 333 | P | 86.2 | Confident | 85.4 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 145 | -177.9 | 29.1 | -35.3 | 0 | 0 | 0 | 112.8 | V240 P325 | V240-P333 VanDerWaalsContact O-CG 3.28Å; V240-P333 WeakPolarHBondContact O-CG 3.38Å; P325-P333 WeakPolarHBondContact CD-O 3.46Å |
| 334 | D | 89.6 | Confident | 85.2 | Confident | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 151.3 | 172.5 | -71.3 | 3.1 | 0 | 0 | 0 | 112.3 | K322 R324 | K322-D334 HydrophobicContact CD-CB 4.09Å; K322-D334 WeakPolarHBondContact CD-OD2 3.47Å; K322-D334 IonicContact NZ-OD2 3.43Å; K322-D334 PolarHBondContact NZ-OD2 3.39Å; R324-D334 IonicContact CZ-OD1 2.74Å; R324-D334 IonicContact NE-OD1 2.71Å; R324-D334 PolarHBondContact NE-OD1 3.11Å; R324-D334 IonicContact NH2-OD1 3.94Å; R324-D334 PolarHBondContact NH2-OD1 2.91Å; R324-D334 IonicContact NH2-OD2 3.96Å |
| 335 | S | 91.8 | Very high | 85 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 170.9 | 165.3 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | K322 V323 | K322-S335 VanDerWaalsContact CA-OG 3.25Å; K322-S335 WeakPolarHBondContact CA-OG 3.32Å; V323-S335 PolarHBondContact N-OG 3.43Å; V323-S335 WeakPolarHBondContact O-CB 3.5Å; V323-S335 PolarHBondContact O-N 2.88Å |
| 336 | N | 91.2 | Very high | 85 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 148 | 153.2 | 58.8 | -71.8 | 0 | 0 | 0 | 111.2 | Q243 L244 | Q243-N336 WeakPolarHBondContact CA-OD1 3.3Å; Q243-N336 WeakPolarHBondContact CG-OD1 3.4Å; L244-N336 PolarHBondContact N-OD1 3.23Å; L244-N336 PolarHBondContact O-ND2 3.35Å |
| 337 | V | 91.4 | Very high | 85.4 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 137.3 | 167.2 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | W297 E320 F321 K322 L339 | W297-V337 HydrophobicContact CH2-CG2 4.27Å; E320-V337 HydrophobicContact CB-CG1 3.9Å; E320-V337 HydrophobicContact CG-CG1 4.23Å; F321-V337 VanDerWaalsContact O-CA 3.3Å; F321-V337 WeakPolarHBondContact O-CA 3.4Å; K322-V337 HydrophobicContact CD-CG2 4.24Å; K322-V337 HydrophobicContact CG-CG2 3.86Å; V337-L339 HydrophobicContact CG1-CD1 4.09Å; V337-L339 HydrophobicContact CG1-CG 4.33Å |
| 338 | L | 91.9 | Very high | 85.8 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 149.3 | 155.3 | -71.1 | -171.9 | 0 | 0 | 0 | 109 | L244 V247 F321 | L244-L338 HydrophobicContact CD2-CB 4.19Å; L244-L338 HydrophobicContact CD2-CG 4.39Å; L244-L338 HydrophobicContact CG-CD1 4.11Å; L244-L338 HydrophobicContact CG-CG 4.29Å; L244-L338 WeakPolarHBondContact O-CD1 3.46Å; V247-L338 HydrophobicContact CG2-CB 3.72Å; V247-L338 HydrophobicContact CG2-CD1 3.97Å; V247-L338 HydrophobicContact CG2-CG 4.43Å; F321-L338 PolarHBondContact N-O 2.78Å; F321-L338 PolarHBondContact O-N 2.81Å |
| 339 | L | 90.8 | Very high | 86.6 | Confident | 98 Ų | 98 | 64.9 Ų | 64.9 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.1 | 179.8 | -62.7 | 92.8 | 0 | 0 | 0 | 109.9 | Y319 E320 V337 | Y319-L339 VanDerWaalsContact O-CA 3.31Å; Y319-L339 WeakPolarHBondContact O-CA 3.35Å; E320-L339 HydrophobicContact CG-CD2 3.98Å; E320-L339 HydrophobicContact CG-CG 4.17Å; V337-L339 HydrophobicContact CG1-CD1 4.09Å; V337-L339 HydrophobicContact CG1-CG 4.33Å |
| 340 | L | 90.4 | Very high | 87.8 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.1 | 170.3 | -176.7 | 69 | 0 | 0 | 0 | 109.9 | V247 L249 V264 Y319 F321 L342 | V247-L340 HydrophobicContact CG1-CB 3.89Å; V247-L340 HydrophobicContact CG1-CD2 4.09Å; L249-L340 HydrophobicContact CB-CD2 4.36Å; V264-L340 HydrophobicContact CG1-CD2 4.15Å; V264-L340 HydrophobicContact CG2-CD2 3.72Å; Y319-L340 PolarHBondContact N-O 2.88Å; Y319-L340 PolarHBondContact O-N 2.8Å; F321-L340 HydrophobicContact CD2-CB 4.44Å; F321-L340 HydrophobicContact CE2-CB 3.84Å; L340-L342 HydrophobicContact CD2-CD2 4.11Å |
| 341 | R | 88.4 | Confident | 88.9 | Confident | 186 Ų | 186 | 54.1 Ų | 54.1 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.2 | 166.3 | 176 | 159.8 | -67.2 | 154.8 | 3.7 | 108.8 | D318 | D318-R341 VanDerWaalsContact OD1-CA 3.26Å; D318-R341 WeakPolarHBondContact OD1-CA 3.41Å; D318-R341 WeakPolarHBondContact OD1-CB 3.38Å; D318-R341 WeakPolarHBondContact OD1-CD 3.25Å; D318-R341 WeakPolarHBondContact OD1-CG 3.35Å; D318-R341 IonicContact OD1-CZ 2.66Å; D318-R341 IonicContact OD1-NE 3.8Å; D318-R341 PolarHBondContact OD1-NE 2.93Å; D318-R341 IonicContact OD1-NH2 3.71Å; D318-R341 IonicContact OD2-CZ 2.71Å; D318-R341 IonicContact OD2-NE 3.41Å; D318-R341 PolarHBondContact OD2-NE 2.88Å; D318-R341 IonicContact OD2-NH2 3.59Å; D318-R341 PolarHBondContact OD2-NH2 2.83Å |
| 342 | L | 88 | Confident | 89.4 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 140 | 172.4 | -67.7 | 169.8 | 0 | 0 | 0 | 109.4 | L249 P262 V264 L313 H314 G316 Q317 Y319 L340 | L249-L342 HydrophobicContact CD1-CD2 3.8Å; P262-L342 HydrophobicContact CB-CD1 4.37Å; P262-L342 HydrophobicContact CB-CD2 4.41Å; P262-L342 HydrophobicContact CG-CD1 4.32Å; V264-L342 HydrophobicContact CG2-CD2 4.14Å; L313-L342 HydrophobicContact CB-CD1 3.87Å; L313-L342 HydrophobicContact CD1-CD1 4.31Å; H314-L342 WeakPolarHBondContact O-CD1 3.31Å; G316-L342 WeakPolarHBondContact CA-O 3.43Å; Q317-L342 WeakPolarHBondContact O-CB 3.27Å; Q317-L342 PolarHBondContact O-N 2.96Å; Y319-L342 HydrophobicContact CD2-CD1 3.64Å; Y319-L342 HydrophobicContact CD2-CG 4.38Å; Y319-L342 HydrophobicContact CE2-CD1 3.68Å; L340-L342 HydrophobicContact CD2-CD2 4.11Å |
| 343 | P | 86.2 | Confident | 89.9 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 142.6 | 177.6 | 27.7 | -34 | 0 | 0 | 0 | 110.1 | L249 W315 G316 | L249-P343 HydrophobicContact CD2-CG 3.8Å; W315-P343 HydrophobicContact CE3-CG 4.11Å; W315-P343 HydrophobicContact CZ3-CG 3.99Å; G316-P343 PolarHBondContact N-O 3.46Å |
| 344 | E | 87.4 | Confident | 90.2 | Very high | 51 Ų | 51 | 57 Ų | 57 | 24% | 0.238 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 144.9 | 166.5 | -64.8 | 178.7 | -118.9 | 0 | 0 | 109.6 | N376 I378 R380 G425 A426 | E344-N376 CarbonylContact C-O 3.58Å; E344-N376 WeakPolarHBondContact CA-O 3.28Å; E344-I378 PolarHBondContact OE2-N 3.15Å; E344-R380 IonicContact OE1-CZ 3.92Å; E344-R380 IonicContact OE1-NE 3.86Å; E344-R380 IonicContact OE1-NH2 2.68Å; E344-R380 PolarHBondContact OE1-NH2 3.07Å; E344-R380 IonicContact OE2-NE 3.61Å; E344-R380 IonicContact OE2-NH2 3.67Å; E344-G425 WeakPolarHBondContact OE2-CA 3.3Å; E344-G425 PolarHBondContact OE2-N 3.35Å; E344-A426 HydrophobicContact CB-CB 4.43Å |
| 345 | K | 87.4 | Confident | 90.3 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | trans | -117.4 | 171.4 | 162.1 | -72.8 | -174 | 176.7 | 179.1 | 0 | 109.5 | W315 N376 T424 A426 | W315-K345 HydrophobicContact CB-CB 4.46Å; W315-K345 HydrophobicContact CB-CG 4.48Å; W315-K345 HydrophobicContact CD2-CD 3.66Å; W315-K345 HydrophobicContact CD2-CG 4.06Å; W315-K345 VanDerWaalsContact CE2-CE 3.5Å; W315-K345 VanDerWaalsContact CE2-NZ 3.33Å; W315-K345 HydrophobicContact CE3-CD 4.09Å; W315-K345 HydrophobicContact CE3-CG 4.18Å; W315-K345 HydrophobicContact CG-CB 4.48Å; W315-K345 HydrophobicContact CG-CD 3.92Å; W315-K345 HydrophobicContact CG-CG 4.17Å; W315-K345 HydrophobicContact CZ2-CD 4.31Å; K345-N376 HydrophobicContact CB-CB 3.94Å; K345-N376 PolarHBondContact N-O 3.01Å; K345-T424 PolarHBondContact O-OG1 2.96Å; K345-A426 VanDerWaalsContact C-CB 3.49Å | ||
| 346 | V | 88.9 | Confident | 90.2 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 38% | 0.376 | 30% | 0.299 | S | S | . | . | trans | -66.4 | 148.3 | 172.6 | -60 | 0 | 0 | 0 | 0 | 110.4 | S348 N376 A426 A428 | V346-S348 PolarHBondContact O-N 2.79Å; V346-N376 PolarHBondContact O-ND2 3.35Å; V346-A426 HydrophobicContact CG1-CB 4.12Å; V346-A428 WeakPolarHBondContact CG1-O 3.46Å | ||
| 347 | P | 91.1 | Very high | 90 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.019 | 31% | 0.308 | C | S | . | . | trans | -57.3 | 131.6 | 175.8 | -28.7 | 36.7 | 0 | 0 | 0 | 112.3 | A349 N374 I379 A422 T424 G429 E430 | P347-A349 VanDerWaalsContact C-N 3.32Å; P347-N374 CarbonylContact C-O 3.59Å; P347-N374 VanDerWaalsContact CA-O 3.29Å; P347-N374 WeakPolarHBondContact CA-O 2.93Å; P347-I379 HydrophobicContact CG-CD1 3.79Å; P347-A422 HydrophobicContact CB-CB 4.29Å; P347-A422 HydrophobicContact CG-CB 3.93Å; P347-T424 HydrophobicContact CG-CG2 3.74Å; P347-G429 VanDerWaalsContact O-CA 3.26Å; P347-G429 WeakPolarHBondContact O-CA 3.46Å; P347-E430 PolarHBondContact O-N 3.14Å | ||
| 348 | S | 87.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -91.1 | 9.9 | -177.3 | 49.8 | 0 | 0 | 0 | 0 | 114 | V346 N374 N376 | V346-S348 PolarHBondContact O-N 2.79Å; S348-N374 PolarHBondContact N-O 2.83Å; S348-N374 PolarHBondContact OG-O 3.21Å; S348-N374 PolarHBondContact OG-OD1 2.89Å; S348-N376 VanDerWaalsContact CB-ND2 3.35Å; S348-N376 WeakPolarHBondContact CB-ND2 3.46Å; S348-N376 PolarHBondContact N-ND2 2.85Å; S348-N376 PolarHBondContact OG-ND2 2.97Å |
| 349 | A | 88.8 | Confident | 88.9 | Confident | 16 Ų | 16 | 61 Ų | 61 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -147.8 | 148.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P347 N374 | P347-A349 VanDerWaalsContact C-N 3.32Å; A349-N374 HydrophobicContact CB-CB 3.69Å |
| 350 | P | 93.2 | Very high | 88.4 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 24% | 0.24 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 164.5 | 178.7 | 31.8 | -35.8 | 0 | 0 | 0 | 112.4 | E430 | P350-E430 HydrophobicContact CB-CB 4.49Å; P350-E430 WeakPolarHBondContact CD-OE2 3.5Å |
| 351 | P | 94.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.039 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 142.4 | 166.2 | -23.3 | 35.1 | 0 | 0 | 0 | 112 | V354 W367 V368 P370 Y382 V420 A422 | P351-V354 HydrophobicContact CB-CG2 4.45Å; P351-W367 HydrophobicContact CB-CB 4.27Å; P351-W367 HydrophobicContact CB-CG 4.31Å; P351-V368 CarbonylContact C-O 3.54Å; P351-V368 WeakPolarHBondContact CA-O 3.45Å; P351-V368 WeakPolarHBondContact CB-O 3.47Å; P351-P370 HydrophobicContact CG-CG 4.49Å; P351-Y382 HydrophobicContact CG-CD1 4.04Å; P351-Y382 HydrophobicContact CG-CE1 4.19Å; P351-V420 HydrophobicContact CB-CG1 4.44Å; P351-V420 WeakPolarHBondContact CD-O 3.47Å; P351-V420 HydrophobicContact CG-CB 4.21Å; P351-V420 HydrophobicContact CG-CG1 3.96Å; P351-A422 HydrophobicContact CG-CB 4.32Å |
| 352 | Q | 92.4 | Very high | 87.4 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 167.2 | -178 | -61.6 | -170.8 | -5.2 | 0 | 0 | 111.5 | V354 V368 | Q352-V354 PolarHBondContact O-N 2.97Å; Q352-V368 HydrophobicContact CB-CB 4.19Å; Q352-V368 PolarHBondContact N-O 2.79Å; Q352-V368 PolarHBondContact O-N 2.8Å |
| 353 | E | 91.2 | Very high | 87.4 | Confident | 149 Ų | 149 | 56.5 Ų | 56.5 | 70% | 0.696 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.4 | 34.1 | 173.9 | -55.8 | -167.9 | 171.4 | 0 | 0 | 115.5 | T355 V368 | E353-T355 WeakPolarHBondContact O-CG2 3.03Å; E353-T355 PolarHBondContact O-N 3.49Å; E353-T355 VanDerWaalsContact O-N 3.14Å; E353-T355 PolarHBondContact O-OG1 3.16Å; E353-T355 VanDerWaalsContact O-OG1 3.06Å; E353-V368 HydrophobicContact CB-CB 4.46Å; E353-V368 HydrophobicContact CB-CG2 3.95Å; E353-V368 HydrophobicContact CG-CG2 4.3Å |
| 354 | V | 92.3 | Very high | 87.5 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 121.1 | 175 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | P351 Q352 S366 W367 V420 V435 | P351-V354 HydrophobicContact CB-CG2 4.45Å; Q352-V354 PolarHBondContact O-N 2.97Å; V354-S366 CarbonylContact C-O 3.58Å; V354-S366 WeakPolarHBondContact CA-O 3.34Å; V354-W367 HydrophobicContact CG2-CB 3.95Å; V354-V420 HydrophobicContact CG1-CG2 3.92Å; V354-V420 HydrophobicContact CG2-CB 4.32Å; V354-V420 HydrophobicContact CG2-CG2 4.13Å; V354-V435 HydrophobicContact CB-CG2 3.96Å; V354-V435 HydrophobicContact CG1-CB 4.19Å; V354-V435 HydrophobicContact CG1-CG2 3.88Å; V354-V435 WeakPolarHBondContact O-CG2 2.97Å |
| 355 | T | 91.3 | Very high | 87.7 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.5 | -170 | 36.5 | 0 | 0 | 0 | 0 | 110.3 | E353 V365 S366 | E353-T355 WeakPolarHBondContact O-CG2 3.03Å; E353-T355 PolarHBondContact O-N 3.49Å; E353-T355 VanDerWaalsContact O-N 3.14Å; E353-T355 PolarHBondContact O-OG1 3.16Å; E353-T355 VanDerWaalsContact O-OG1 3.06Å; T355-V365 WeakPolarHBondContact O-CA 3.33Å; T355-S366 PolarHBondContact N-O 2.81Å; T355-S366 PolarHBondContact O-N 2.79Å; T355-S366 PolarHBondContact OG1-O 3.46Å; T355-S366 VanDerWaalsContact OG1-O 3.04Å; T355-S366 PolarHBondContact OG1-OG 2.91Å |
| 356 | L | 89.1 | Confident | 88 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.9 | 178.2 | -63.3 | 179.3 | 0 | 0 | 0 | 109.3 | V363 L364 V365 Y416 V418 V435 L437 | L356-V363 HydrophobicContact CB-CG1 4.09Å; L356-V363 HydrophobicContact CD2-CG1 3.93Å; L356-L364 WeakPolarHBondContact CA-O 3.48Å; L356-V365 HydrophobicContact CD2-CB 4.08Å; L356-V365 HydrophobicContact CD2-CG1 3.91Å; L356-V365 HydrophobicContact CD2-CG2 3.69Å; L356-Y416 VanDerWaalsContact CD1-O 3.3Å; L356-Y416 WeakPolarHBondContact CD1-O 3.43Å; L356-V418 HydrophobicContact CD1-CB 4.39Å; L356-V418 HydrophobicContact CD1-CG2 4.18Å; L356-V418 HydrophobicContact CD2-CB 4.09Å; L356-V418 HydrophobicContact CD2-CG2 3.85Å; L356-V435 HydrophobicContact CD1-CG1 4.22Å; L356-V435 VanDerWaalsContact CD1-O 3.29Å; L356-V435 WeakPolarHBondContact CD1-O 3.17Å; L356-V435 HydrophobicContact CG-CG1 4.05Å; L356-L437 HydrophobicContact CB-CB 3.82Å; L356-L437 HydrophobicContact CB-CD2 4.13Å; L356-L437 HydrophobicContact CB-CG 4.47Å; L356-L437 HydrophobicContact CD1-CB 3.82Å; L356-L437 HydrophobicContact CG-CB 4.49Å |
| 357 | K | 87.7 | Confident | 88.2 | Confident | 116 Ų | 116 | 47.6 Ų | 47.6 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.7 | 178.7 | -67 | 171.7 | -177 | 164.8 | 0 | 110 | V363 L364 | K357-V363 WeakPolarHBondContact O-CA 3.45Å; K357-L364 HydrophobicContact CB-CB 4.42Å; K357-L364 PolarHBondContact N-O 2.8Å; K357-L364 PolarHBondContact O-N 2.82Å |
| 358 | P | 83.3 | Confident | 88.3 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.2 | 176.8 | 28.4 | -32.9 | 0 | 0 | 0 | 111 | L437 L439 | P358-L437 HydrophobicContact CB-CD2 4.2Å; P358-L439 HydrophobicContact CB-CD1 3.94Å |
| 359 | G | 78.1 | Confident | 88.5 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | trans | -115.4 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G361 S362 | G359-G361 PolarHBondContact O-N 2.79Å; G359-S362 CarbonylContact C-O 3.57Å; G359-S362 WeakPolarHBondContact CA-O 3.4Å; G359-S362 PolarHBondContact N-O 3.47Å | ||
| 360 | N | 78.6 | Confident | 88.7 | Confident | 173 Ų | 173 | 49 Ų | 49 | 93% | 0.925 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -79.6 | 83.4 | -178.9 | -175.7 | 26.7 | 0 | 0 | 0 | 111.3 | ||
| 361 | G | 75.3 | Confident | 88.5 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 45% | 0.454 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 84.9 | 17.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G359 T410 | G359-G361 PolarHBondContact O-N 2.79Å; G361-T410 PolarHBondContact O-N 3.41Å; G361-T410 PolarHBondContact O-OG1 2.86Å |
| 362 | S | 84.1 | Confident | 87.9 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 167.9 | 178 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | G359 E407 I408 T410 | G359-S362 CarbonylContact C-O 3.57Å; G359-S362 WeakPolarHBondContact CA-O 3.4Å; G359-S362 PolarHBondContact N-O 3.47Å; S362-E407 WeakPolarHBondContact CB-OE1 3.49Å; S362-E407 PolarHBondContact OG-OE1 2.81Å; S362-I408 CarbonylContact C-O 3.53Å; S362-I408 VanDerWaalsContact CA-O 3.28Å; S362-I408 WeakPolarHBondContact CA-O 3.2Å; S362-T410 PolarHBondContact N-OG1 2.9Å |
| 363 | V | 86.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.3 | 165.4 | 166.1 | 0 | 0 | 0 | 0 | 107.4 | L356 K357 I408 T410 L437 | L356-V363 HydrophobicContact CB-CG1 4.09Å; L356-V363 HydrophobicContact CD2-CG1 3.93Å; K357-V363 WeakPolarHBondContact O-CA 3.45Å; V363-I408 PolarHBondContact N-O 3.09Å; V363-I408 PolarHBondContact O-N 2.91Å; V363-T410 HydrophobicContact CB-CG2 4.1Å; V363-T410 HydrophobicContact CG2-CG2 3.57Å; V363-L437 HydrophobicContact CG1-CD2 3.99Å; V363-L437 HydrophobicContact CG2-CD2 3.74Å |
| 364 | L | 89.5 | Confident | 87 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.9 | 173.9 | -178.9 | 65.3 | 0 | 0 | 0 | 108.8 | L356 K357 Q405 E407 | L356-L364 WeakPolarHBondContact CA-O 3.48Å; K357-L364 HydrophobicContact CB-CB 4.42Å; K357-L364 PolarHBondContact N-O 2.8Å; K357-L364 PolarHBondContact O-N 2.82Å; L364-Q405 HydrophobicContact CD1-CB 4.24Å; L364-E407 HydrophobicContact CD1-CB 4.43Å |
| 365 | V | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.8 | 166.2 | -163.6 | 0 | 0 | 0 | 0 | 107.8 | T355 L356 W367 Q405 L406 I408 V418 V420 | T355-V365 WeakPolarHBondContact O-CA 3.33Å; L356-V365 HydrophobicContact CD2-CB 4.08Å; L356-V365 HydrophobicContact CD2-CG1 3.91Å; L356-V365 HydrophobicContact CD2-CG2 3.69Å; V365-W367 HydrophobicContact CB-CE3 4.43Å; V365-W367 HydrophobicContact CB-CZ3 4.09Å; V365-W367 HydrophobicContact CG1-CE3 3.88Å; V365-W367 HydrophobicContact CG1-CZ3 3.95Å; V365-Q405 CarbonylContact O-C 3.47Å; V365-Q405 VanDerWaalsContact O-CA 3.23Å; V365-Q405 WeakPolarHBondContact O-CA 3.49Å; V365-L406 HydrophobicContact CB-CB 4.48Å; V365-L406 PolarHBondContact N-O 3.45Å; V365-L406 PolarHBondContact O-N 2.94Å; V365-I408 HydrophobicContact CG2-CD1 3.5Å; V365-I408 HydrophobicContact CG2-CG1 4.07Å; V365-V418 HydrophobicContact CG1-CG1 4.04Å; V365-V418 HydrophobicContact CG2-CG1 4.43Å; V365-V418 HydrophobicContact CG2-CG2 4.49Å; V365-V420 HydrophobicContact CG1-CG2 4.34Å |
| 366 | S | 93.2 | Very high | 86.3 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.5 | 171.8 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | V354 T355 | V354-S366 CarbonylContact C-O 3.58Å; V354-S366 WeakPolarHBondContact CA-O 3.34Å; T355-S366 PolarHBondContact N-O 2.81Å; T355-S366 PolarHBondContact O-N 2.79Å; T355-S366 PolarHBondContact OG1-O 3.46Å; T355-S366 VanDerWaalsContact OG1-O 3.04Å; T355-S366 PolarHBondContact OG1-OG 2.91Å |
| 367 | W | 94.3 | Very high | 86.1 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.6 | 178.5 | 58.9 | 92.1 | 0 | 0 | 0 | 111.3 | P351 V354 V365 Y382 V384 V399 Q403 T404 L406 V420 | P351-W367 HydrophobicContact CB-CB 4.27Å; P351-W367 HydrophobicContact CB-CG 4.31Å; V354-W367 HydrophobicContact CG2-CB 3.95Å; V365-W367 HydrophobicContact CB-CE3 4.43Å; V365-W367 HydrophobicContact CB-CZ3 4.09Å; V365-W367 HydrophobicContact CG1-CE3 3.88Å; V365-W367 HydrophobicContact CG1-CZ3 3.95Å; W367-Y382 AromaticContact CD1-CD1 3.98Å; W367-Y382 AromaticContact CD1-CE1 3.9Å; W367-Y382 AromaticContact CE2-CD2 3.85Å; W367-Y382 AromaticContact CE2-CG 3.75Å; W367-Y382 AromaticContact CZ2-CD2 3.75Å; W367-Y382 HydrophobicContact CZ2-CD2 3.75Å; W367-Y382 AromaticContact CZ2-CG 3.82Å; W367-Y382 HydrophobicContact CZ2-CG 3.82Å; W367-Y382 AromaticContact NE1-CD1 3.31Å; W367-Y382 VanDerWaalsContact NE1-CD1 3.31Å; W367-Y382 AromaticContact NE1-CD2 3.35Å; W367-Y382 VanDerWaalsContact NE1-CD2 3.35Å; W367-Y382 AromaticContact NE1-CE1 3.47Å; W367-Y382 AromaticContact NE1-CE2 3.5Å; W367-Y382 AromaticContact NE1-CG 3.27Å; W367-Y382 VanDerWaalsContact NE1-CG 3.27Å; W367-Y382 AromaticContact NE1-CZ 3.58Å; W367-V384 HydrophobicContact CH2-CG2 4Å; W367-V384 HydrophobicContact CZ3-CG2 4.12Å; W367-V399 HydrophobicContact CH2-CB 4.36Å; W367-V399 HydrophobicContact CH2-CG1 4.08Å; W367-V399 HydrophobicContact CH2-CG2 4.1Å; W367-V399 HydrophobicContact CZ2-CB 4.32Å; W367-V399 HydrophobicContact CZ2-CG1 4Å; W367-Q403 WeakPolarHBondContact CZ2-O 3.42Å; W367-T404 VanDerWaalsContact CD2-O 3.29Å; W367-T404 PolarHBondContact N-O 2.89Å; W367-T404 WeakPolarHBondContact O-CB 3.34Å; W367-L406 HydrophobicContact CH2-CB 3.94Å; W367-L406 HydrophobicContact CZ3-CB 3.99Å; W367-V420 HydrophobicContact CD2-CG1 4.05Å; W367-V420 HydrophobicContact CD2-CG2 4.43Å; W367-V420 HydrophobicContact CE3-CG1 4.43Å; W367-V420 HydrophobicContact CE3-CG2 4.18Å; W367-V420 HydrophobicContact CG-CG1 4.3Å |
| 368 | V | 93.6 | Very high | 86 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.1 | 171.1 | 174.8 | 0 | 0 | 0 | 0 | 107.9 | P351 Q352 E353 | P351-V368 CarbonylContact C-O 3.54Å; P351-V368 WeakPolarHBondContact CA-O 3.45Å; P351-V368 WeakPolarHBondContact CB-O 3.47Å; Q352-V368 HydrophobicContact CB-CB 4.19Å; Q352-V368 PolarHBondContact N-O 2.79Å; Q352-V368 PolarHBondContact O-N 2.8Å; E353-V368 HydrophobicContact CB-CB 4.46Å; E353-V368 HydrophobicContact CB-CG2 3.95Å; E353-V368 HydrophobicContact CG-CG2 4.3Å |
| 369 | P | 91.9 | Very high | 86.3 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 155.3 | 174.1 | -25.4 | 34.3 | 0 | 0 | 0 | 112.6 | Y382 T404 | P369-Y382 WeakPolarHBondContact CB-OH 3.23Å; P369-Y382 WeakPolarHBondContact CG-OH 3.38Å; P369-T404 HydrophobicContact CG-CG2 4.06Å |
| 370 | P | 91.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 164.3 | 170.2 | -17.6 | 29.1 | 0 | 0 | 0 | 111.8 | P351 H375 A422 | P351-P370 HydrophobicContact CG-CG 4.49Å; P370-H375 PolarHBondContact O-CD2 3.44Å; P370-H375 PolarHBondContact O-NE2 2.82Å; P370-A422 HydrophobicContact CG-CB 3.67Å |
| 371 | P | 88.7 | Confident | 87.4 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 21% | 0.214 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 141.5 | 171.4 | -23 | 34.2 | 0 | 0 | 0 | 111.9 | E373 N374 H375 | P371-E373 VanDerWaalsContact C-N 3.28Å; P371-E373 HydrophobicContact CB-CG 4.46Å; P371-E373 PolarHBondContact O-N 3.41Å; P371-N374 WeakPolarHBondContact O-CA 3.26Å; P371-N374 WeakPolarHBondContact O-CB 3.05Å; P371-N374 PolarHBondContact O-N 2.89Å; P371-H375 PolarHBondContact O-CD2 2.95Å; P371-H375 PolarHBondContact O-N 2.9Å |
| 372 | A | 83.3 | Confident | 88.3 | Confident | 76 Ų | 76 | 40.7 Ų | 40.7 | 63% | 0.628 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -59.5 | -36.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N374 H375 | A372-N374 PolarHBondContact O-N 3.02Å; A372-N374 VanDerWaalsContact O-N 3.16Å; A372-H375 PolarHBondContact O-N 2.9Å |
| 373 | E | 78.8 | Confident | 88.7 | Confident | 123 Ų | 123 | 43.1 Ų | 43.1 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -61.7 | -22 | 175.5 | 66.8 | -91.6 | -161.3 | 0 | 0 | 113.7 | P371 | P371-E373 VanDerWaalsContact C-N 3.28Å; P371-E373 HydrophobicContact CB-CG 4.46Å; P371-E373 PolarHBondContact O-N 3.41Å |
| 374 | N | 84.4 | Confident | 88.9 | Confident | 45 Ų | 45 | 43 Ų | 43 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -101.7 | 1.2 | -178.4 | -73.1 | -63.5 | 0 | 0 | 0 | 113.8 | P347 S348 A349 P371 A372 N376 | P347-N374 CarbonylContact C-O 3.59Å; P347-N374 VanDerWaalsContact CA-O 3.29Å; P347-N374 WeakPolarHBondContact CA-O 2.93Å; S348-N374 PolarHBondContact N-O 2.83Å; S348-N374 PolarHBondContact OG-O 3.21Å; S348-N374 PolarHBondContact OG-OD1 2.89Å; A349-N374 HydrophobicContact CB-CB 3.69Å; P371-N374 WeakPolarHBondContact O-CA 3.26Å; P371-N374 WeakPolarHBondContact O-CB 3.05Å; P371-N374 PolarHBondContact O-N 2.89Å; A372-N374 PolarHBondContact O-N 3.02Å; A372-N374 VanDerWaalsContact O-N 3.16Å; N374-N376 VanDerWaalsContact C-N 3.32Å; N374-N376 PolarHBondContact O-N 3.39Å |
| 375 | H | 84.9 | Confident | 88.9 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | trans | -66 | -35.1 | 177.9 | -71.5 | -173.4 | 0 | 0 | 0 | 112.2 | P370 P371 A372 G377 I379 T424 | P370-H375 PolarHBondContact O-CD2 3.44Å; P370-H375 PolarHBondContact O-NE2 2.82Å; P371-H375 PolarHBondContact O-CD2 2.95Å; P371-H375 PolarHBondContact O-N 2.9Å; A372-H375 PolarHBondContact O-N 2.9Å; H375-G377 WeakPolarHBondContact CB-O 3.41Å; H375-G377 PolarHBondContact O-N 2.78Å; H375-I379 HydrophobicContact CB-CD1 3.9Å; H375-I379 HydrophobicContact CB-CG1 4.33Å; H375-T424 WeakPolarHBondContact O-CG2 3.36Å | ||
| 376 | N | 84.4 | Confident | 88.5 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | trans | 54.5 | 17.5 | -176 | -62.6 | -48.5 | 0 | 0 | 0 | 115.6 | W315 E344 K345 V346 S348 N374 | W315-N376 CarbonylContact C-O 3.49Å; W315-N376 HydrophobicContact CB-CB 3.92Å; W315-N376 CarbonylContact O-C 3.58Å; W315-N376 VanDerWaalsContact O-C 3.26Å; E344-N376 CarbonylContact C-O 3.58Å; E344-N376 WeakPolarHBondContact CA-O 3.28Å; K345-N376 HydrophobicContact CB-CB 3.94Å; K345-N376 PolarHBondContact N-O 3.01Å; V346-N376 PolarHBondContact O-ND2 3.35Å; S348-N376 VanDerWaalsContact CB-ND2 3.35Å; S348-N376 WeakPolarHBondContact CB-ND2 3.46Å; S348-N376 PolarHBondContact N-ND2 2.85Å; S348-N376 PolarHBondContact OG-ND2 2.97Å; N374-N376 VanDerWaalsContact C-N 3.32Å; N374-N376 PolarHBondContact O-N 3.39Å | ||
| 377 | G | 85.6 | Confident | 87.6 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 163.5 | -165.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H375 | H375-G377 WeakPolarHBondContact CB-O 3.41Å; H375-G377 PolarHBondContact O-N 2.78Å |
| 378 | I | 85.9 | Confident | 86.2 | Confident | 120 Ų | 120 | 49.5 Ų | 49.5 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | trans | -93 | 125.5 | 177.2 | -59.8 | 174.9 | 0 | 0 | 0 | 108 | E344 R380 T424 | E344-I378 PolarHBondContact OE2-N 3.15Å; I378-R380 WeakPolarHBondContact O-CG 3.29Å; I378-R380 PolarHBondContact O-N 3.2Å; I378-R380 VanDerWaalsContact O-N 3.09Å; I378-T424 WeakPolarHBondContact O-CA 3.1Å | ||
| 379 | I | 88.3 | Confident | 84.7 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -69.2 | 108.6 | 174.5 | -52.7 | -51.2 | 0 | 0 | 0 | 108.9 | P347 H375 Y382 A422 T424 | P347-I379 HydrophobicContact CG-CD1 3.79Å; H375-I379 HydrophobicContact CB-CD1 3.9Å; H375-I379 HydrophobicContact CB-CG1 4.33Å; I379-Y382 HydrophobicContact CG2-CE1 4.15Å; I379-Y382 HydrophobicContact CG2-CE2 4.29Å; I379-A422 HydrophobicContact CD1-CB 4.13Å; I379-A422 HydrophobicContact CG2-CB 4.28Å; I379-T424 HydrophobicContact CD1-CG2 3.89Å | ||
| 380 | R | 89.4 | Confident | 82.9 | Confident | 151 Ų | 151 | 56.2 Ų | 56.2 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | trans | -89.9 | -20.8 | -178.3 | -53.5 | -171.4 | -178.3 | -159.9 | 0.6 | 112.3 | E344 I378 G401 V423 G425 | E344-R380 IonicContact OE1-CZ 3.92Å; E344-R380 IonicContact OE1-NE 3.86Å; E344-R380 IonicContact OE1-NH2 2.68Å; E344-R380 PolarHBondContact OE1-NH2 3.07Å; E344-R380 IonicContact OE2-NE 3.61Å; E344-R380 IonicContact OE2-NH2 3.67Å; I378-R380 WeakPolarHBondContact O-CG 3.29Å; I378-R380 PolarHBondContact O-N 3.2Å; I378-R380 VanDerWaalsContact O-N 3.09Å; R380-G401 PolarHBondContact O-N 3.43Å; R380-V423 PolarHBondContact N-O 2.9Å; R380-G425 VanDerWaalsContact CZ-CA 3.48Å | ||
| 381 | G | 91.4 | Very high | 81 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | -176.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V399 V423 | G381-V399 CarbonylContact C-O 3.54Å; G381-V399 WeakPolarHBondContact CA-O 3.32Å; G381-V423 PolarHBondContact N-O 2.86Å; G381-V423 WeakPolarHBondContact O-CB 3.24Å; G381-V423 PolarHBondContact O-N 2.83Å |
| 382 | Y | 93.9 | Very high | 79.6 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.9 | 171.3 | -58.6 | -85.3 | 0 | 0 | 0 | 109.5 | P351 W367 P369 I379 V399 Q403 V420 A421 A422 | P351-Y382 HydrophobicContact CG-CD1 4.04Å; P351-Y382 HydrophobicContact CG-CE1 4.19Å; W367-Y382 AromaticContact CD1-CD1 3.98Å; W367-Y382 AromaticContact CD1-CE1 3.9Å; W367-Y382 AromaticContact CE2-CD2 3.85Å; W367-Y382 AromaticContact CE2-CG 3.75Å; W367-Y382 AromaticContact CZ2-CD2 3.75Å; W367-Y382 HydrophobicContact CZ2-CD2 3.75Å; W367-Y382 AromaticContact CZ2-CG 3.82Å; W367-Y382 HydrophobicContact CZ2-CG 3.82Å; W367-Y382 AromaticContact NE1-CD1 3.31Å; W367-Y382 VanDerWaalsContact NE1-CD1 3.31Å; W367-Y382 AromaticContact NE1-CD2 3.35Å; W367-Y382 VanDerWaalsContact NE1-CD2 3.35Å; W367-Y382 AromaticContact NE1-CE1 3.47Å; W367-Y382 AromaticContact NE1-CE2 3.5Å; W367-Y382 AromaticContact NE1-CG 3.27Å; W367-Y382 VanDerWaalsContact NE1-CG 3.27Å; W367-Y382 AromaticContact NE1-CZ 3.58Å; P369-Y382 WeakPolarHBondContact CB-OH 3.23Å; P369-Y382 WeakPolarHBondContact CG-OH 3.38Å; I379-Y382 HydrophobicContact CG2-CE1 4.15Å; I379-Y382 HydrophobicContact CG2-CE2 4.29Å; Y382-V399 PolarHBondContact N-O 2.71Å; Y382-V399 PolarHBondContact O-N 3.08Å; Y382-Q403 WeakPolarHBondContact CD2-O 3.29Å; Y382-V420 HydrophobicContact CD1-CG1 4.26Å; Y382-V420 HydrophobicContact CG-CG1 4.49Å; Y382-A421 CarbonylContact C-O 3.58Å; Y382-A421 VanDerWaalsContact CA-O 3.31Å; Y382-A421 WeakPolarHBondContact CA-O 3.4Å; Y382-A422 HydrophobicContact CD1-CB 3.96Å; Y382-A422 HydrophobicContact CE1-CB 3.78Å |
| 383 | Q | 91.9 | Very high | 78.7 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.9 | 165 | -81 | 170.9 | 9.1 | 0 | 0 | 108.2 | W385 W397 T398 V420 A421 V423 | Q383-W385 HydrophobicContact CB-CE3 4.12Å; Q383-W385 HydrophobicContact CB-CH2 3.29Å; Q383-W385 HydrophobicContact CB-CZ2 3.77Å; Q383-W385 HydrophobicContact CB-CZ3 3.47Å; Q383-W385 VanDerWaalsContact CB-CZ3 3.47Å; Q383-W385 HydrophobicContact CG-CH2 4.31Å; Q383-W385 HydrophobicContact CG-CZ2 4.49Å; Q383-W385 WeakPolarHBondContact O-CZ3 3.01Å; Q383-W385 VanDerWaalsContact OE1-CZ2 3.23Å; Q383-W397 WeakPolarHBondContact CA-O 3.48Å; Q383-T398 HydrophobicContact CG-CG2 3.96Å; Q383-V420 CarbonylContact O-C 3.55Å; Q383-V420 WeakPolarHBondContact O-CA 3.13Å; Q383-A421 PolarHBondContact N-O 2.8Å; Q383-A421 PolarHBondContact O-N 2.89Å; Q383-V423 HydrophobicContact CB-CG2 4.25Å; Q383-V423 HydrophobicContact CG-CG2 3.89Å |
| 384 | V | 91.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.7 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 107 | W367 N396 W397 V399 L406 V418 Q419 V420 | W367-V384 HydrophobicContact CH2-CG2 4Å; W367-V384 HydrophobicContact CZ3-CG2 4.12Å; V384-N396 CarbonylContact O-C 3.43Å; V384-N396 WeakPolarHBondContact O-CA 3.31Å; V384-W397 HydrophobicContact CB-CB 4.4Å; V384-W397 HydrophobicContact CB-CE3 4.34Å; V384-W397 HydrophobicContact CG1-CE3 4.17Å; V384-W397 PolarHBondContact N-O 3.3Å; V384-W397 PolarHBondContact O-N 3.41Å; V384-V399 HydrophobicContact CG2-CG2 4.13Å; V384-L406 HydrophobicContact CB-CD2 3.95Å; V384-L406 HydrophobicContact CG1-CD2 4.08Å; V384-L406 HydrophobicContact CG2-CD2 3.92Å; V384-V418 HydrophobicContact CG1-CG1 3.45Å; V384-V418 VanDerWaalsContact CG1-CG1 3.45Å; V384-Q419 WeakPolarHBondContact CA-O 3.43Å; V384-V420 HydrophobicContact CG1-CG2 4.43Å; V384-V420 HydrophobicContact CG2-CG1 4.12Å; V384-V420 HydrophobicContact CG2-CG2 4.29Å |
| 385 | W | 88.1 | Confident | 78.2 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.7 | 176 | -65.4 | -99.4 | 0 | 0 | 0 | 109.9 | Q383 A395 V418 Q419 A421 A428 L431 | Q383-W385 HydrophobicContact CB-CE3 4.12Å; Q383-W385 HydrophobicContact CB-CH2 3.29Å; Q383-W385 HydrophobicContact CB-CZ2 3.77Å; Q383-W385 HydrophobicContact CB-CZ3 3.47Å; Q383-W385 VanDerWaalsContact CB-CZ3 3.47Å; Q383-W385 HydrophobicContact CG-CH2 4.31Å; Q383-W385 HydrophobicContact CG-CZ2 4.49Å; Q383-W385 WeakPolarHBondContact O-CZ3 3.01Å; Q383-W385 VanDerWaalsContact OE1-CZ2 3.23Å; W385-A395 WeakPolarHBondContact CA-O 3.09Å; W385-V418 WeakPolarHBondContact O-CA 3.31Å; W385-Q419 PolarHBondContact N-O 2.97Å; W385-Q419 PolarHBondContact O-N 2.85Å; W385-A421 HydrophobicContact CH2-CB 3.92Å; W385-A421 HydrophobicContact CZ3-CB 3.61Å; W385-A428 HydrophobicContact CH2-CB 4.4Å; W385-L431 HydrophobicContact CD2-CD2 4.2Å; W385-L431 HydrophobicContact CE3-CD2 3.46Å; W385-L431 VanDerWaalsContact CE3-CD2 3.46Å; W385-L431 HydrophobicContact CH2-CD2 3.91Å; W385-L431 HydrophobicContact CZ3-CD2 3.3Å |
| 386 | S | 83.5 | Confident | 78.3 | Confident | 21 Ų | 21 | 63 Ų | 63 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.9 | 159.7 | 59.2 | 0 | 0 | 0 | 0 | 109.3 | G388 A395 C417 | S386-G388 VanDerWaalsContact C-N 3.31Å; S386-G388 PolarHBondContact O-N 2.84Å; S386-A395 PolarHBondContact N-O 3.17Å; S386-A395 PolarHBondContact OG-N 3.43Å; S386-A395 PolarHBondContact OG-O 2.96Å; S386-C417 CarbonylContact C-O 3.57Å; S386-C417 WeakPolarHBondContact CA-O 3.18Å |
| 387 | L | 75.1 | Confident | 78.5 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 93.7 | 164.4 | -74.7 | 171.2 | 0 | 0 | 0 | 107.5 | C417 Q419 P434 | L387-C417 HydrophobicContact CB-CB 3.81Å; L387-C417 HydrophobicContact CD1-CB 4.45Å; L387-C417 PolarHBondContact N-O 2.79Å; L387-Q419 HydrophobicContact CD1-CG 3.86Å; L387-Q419 HydrophobicContact CG-CG 4.35Å; L387-P434 HydrophobicContact CD1-CB 3.49Å; L387-P434 VanDerWaalsContact CD1-CB 3.49Å |
| 388 | G | 64.2 | Low | 78.6 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | trans | -58.2 | 150.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S386 L392 | S386-G388 VanDerWaalsContact C-N 3.31Å; S386-G388 PolarHBondContact O-N 2.84Å; G388-L392 VanDerWaalsContact CA-O 3.24Å; G388-L392 WeakPolarHBondContact CA-O 3.4Å | ||
| 389 | N | 61.8 | Low | 78.8 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -138 | -177.6 | 173.7 | -160.7 | -12.8 | 0 | 0 | 0 | 108 | S391 L392 | N389-S391 PolarHBondContact O-N 2.03Å; N389-L392 PolarHBondContact N-O 3.16Å; N389-L392 PolarHBondContact O-N 2.89Å |
| 390 | T | 53.3 | Low | 78.8 | Confident | 146 Ų | 146 | 68.7 Ų | 68.7 | 90% | 0.896 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -12.2 | -170.3 | 52.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 391 | S | 52.9 | Low | 78.4 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -7.8 | 177.3 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | N389 | N389-S391 PolarHBondContact O-N 2.03Š|
| 392 | L | 58.7 | Low | 78.1 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -141.2 | 122.4 | -174.3 | -72.4 | 169.1 | 0 | 0 | 0 | 111.4 | G388 N389 Y416 | G388-L392 VanDerWaalsContact CA-O 3.24Å; G388-L392 WeakPolarHBondContact CA-O 3.4Å; N389-L392 PolarHBondContact N-O 3.16Å; N389-L392 PolarHBondContact O-N 2.89Å; L392-Y416 HydrophobicContact CD1-CD1 3.69Å; L392-Y416 HydrophobicContact CD1-CD2 4.28Å; L392-Y416 HydrophobicContact CD1-CE1 3.44Å; L392-Y416 VanDerWaalsContact CD1-CE1 3.44Å; L392-Y416 HydrophobicContact CD1-CE2 4.06Å; L392-Y416 HydrophobicContact CD1-CG 4.1Å; L392-Y416 HydrophobicContact CD2-CE1 4.15Å; L392-Y416 HydrophobicContact CG-CE1 4.47Å |
| 393 | P | 64.7 | Low | 77.7 | Confident | 102 Ų | 102 | 76.2 Ų | 76.2 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | trans | -66.2 | 148.3 | 173.6 | 29.9 | -34.5 | 0 | 0 | 0 | 110.7 | A395 | P393-A395 PolarHBondContact O-N 2.85Š| ||
| 394 | P | 73.1 | Confident | 77.7 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 68% | 0.682 | 44% | 0.435 | S | S | * | . | trans | -63.9 | 129.4 | 171.3 | 28.5 | -33.9 | 0 | 0 | 0 | 109.5 | ||||
| 395 | A | 79.1 | Confident | 77.7 | Confident | 37 Ų | 37 | 80.5 Ų | 80.5 | 31% | 0.306 | 46% | 0.458 | S | S | . | . | trans | -130.1 | 150.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | W385 S386 P393 W397 | W385-A395 WeakPolarHBondContact CA-O 3.09Å; S386-A395 PolarHBondContact N-O 3.17Å; S386-A395 PolarHBondContact OG-N 3.43Å; S386-A395 PolarHBondContact OG-O 2.96Å; P393-A395 PolarHBondContact O-N 2.85Å; A395-W397 HydrophobicContact CB-CH2 3.66Å; A395-W397 HydrophobicContact CB-CZ2 3.78Å; A395-W397 HydrophobicContact CB-CZ3 4.18Å | ||
| 396 | N | 87.1 | Confident | 77.7 | Confident | 121 Ų | 121 | 78.4 Ų | 78.4 | 65% | 0.647 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.4 | 178.4 | 60.2 | -27.5 | 0 | 0 | 0 | 110.6 | V384 | V384-N396 CarbonylContact O-C 3.43Å; V384-N396 WeakPolarHBondContact O-CA 3.31Å |
| 397 | W | 88.3 | Confident | 78 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 30% | 0.295 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.7 | 176.3 | -58.4 | -90.7 | 0 | 0 | 0 | 109.5 | Q383 V384 A395 L406 I408 | Q383-W397 WeakPolarHBondContact CA-O 3.48Å; V384-W397 HydrophobicContact CB-CB 4.4Å; V384-W397 HydrophobicContact CB-CE3 4.34Å; V384-W397 HydrophobicContact CG1-CE3 4.17Å; V384-W397 PolarHBondContact N-O 3.3Å; V384-W397 PolarHBondContact O-N 3.41Å; A395-W397 HydrophobicContact CB-CH2 3.66Å; A395-W397 HydrophobicContact CB-CZ2 3.78Å; A395-W397 HydrophobicContact CB-CZ3 4.18Å; W397-L406 HydrophobicContact CB-CD2 3.51Å; W397-L406 HydrophobicContact CD2-CD2 4.07Å; W397-L406 HydrophobicContact CE3-CD2 4.33Å; W397-L406 HydrophobicContact CG-CD2 3.72Å; W397-I408 HydrophobicContact CD2-CD1 4.46Å; W397-I408 HydrophobicContact CE3-CD1 3.99Å; W397-I408 HydrophobicContact CH2-CD1 3.81Å; W397-I408 HydrophobicContact CH2-CG1 4.28Å; W397-I408 HydrophobicContact CH2-CG2 3.89Å; W397-I408 HydrophobicContact CZ2-CD1 4.29Å; W397-I408 HydrophobicContact CZ2-CG1 4.27Å; W397-I408 HydrophobicContact CZ2-CG2 3.77Å; W397-I408 HydrophobicContact CZ3-CD1 3.64Å; W397-I408 HydrophobicContact CZ3-CG1 4.42Å |
| 398 | T | 88.9 | Confident | 78.4 | Confident | 117 Ų | 117 | 80.7 Ų | 80.7 | 72% | 0.718 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.6 | 172.8 | 46.4 | 0 | 0 | 0 | 0 | 108.5 | Q383 | Q383-T398 HydrophobicContact CG-CG2 3.96Å |
| 399 | V | 90.8 | Very high | 79.2 | Confident | 10 Ų | 10 | 84.5 Ų | 84.5 | 6% | 0.061 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139 | -175.1 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | W367 G381 Y382 V384 Q403 L406 | W367-V399 HydrophobicContact CH2-CB 4.36Å; W367-V399 HydrophobicContact CH2-CG1 4.08Å; W367-V399 HydrophobicContact CH2-CG2 4.1Å; W367-V399 HydrophobicContact CZ2-CB 4.32Å; W367-V399 HydrophobicContact CZ2-CG1 4Å; G381-V399 CarbonylContact C-O 3.54Å; G381-V399 WeakPolarHBondContact CA-O 3.32Å; Y382-V399 PolarHBondContact N-O 2.71Å; Y382-V399 PolarHBondContact O-N 3.08Å; V384-V399 HydrophobicContact CG2-CG2 4.13Å; V399-Q403 HydrophobicContact CG1-CB 3.42Å; V399-Q403 VanDerWaalsContact CG1-CB 3.42Å; V399-Q403 WeakPolarHBondContact CG1-O 3.26Å; V399-L406 HydrophobicContact CG2-CB 4.16Å; V399-L406 HydrophobicContact CG2-CD1 4.22Å; V399-L406 HydrophobicContact CG2-CD2 4.1Å; V399-L406 HydrophobicContact CG2-CG 4.39Å |
| 400 | V | 88.4 | Confident | 79.7 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 58% | 0.576 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 147.3 | -178.6 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | E402 Q403 | V400-E402 PolarHBondContact O-N 3.3Å; V400-Q403 PolarHBondContact O-N 3.39Å |
| 401 | G | 81.1 | Confident | 80.2 | Confident | 20 Ų | 20 | 85 Ų | 85 | 21% | 0.206 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R380 | R380-G401 PolarHBondContact O-N 3.43Š|
| 402 | E | 83.1 | Confident | 80.7 | Confident | 188 Ų | 188 | 87.5 Ų | 87.5 | 88% | 0.879 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -19.4 | 175.2 | -61.6 | -179.4 | 168.4 | 0 | 0 | 113.5 | V400 | V400-E402 PolarHBondContact O-N 3.3Š|
| 403 | Q | 87.1 | Confident | 81.2 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | trans | -93.6 | 120.2 | 177.9 | -80.2 | -174.5 | -55 | 0 | 0 | 111.5 | W367 Y382 V399 V400 | W367-Q403 WeakPolarHBondContact CZ2-O 3.42Å; Y382-Q403 WeakPolarHBondContact CD2-O 3.29Å; V399-Q403 HydrophobicContact CG1-CB 3.42Å; V399-Q403 VanDerWaalsContact CG1-CB 3.42Å; V399-Q403 WeakPolarHBondContact CG1-O 3.26Å; V400-Q403 PolarHBondContact O-N 3.39Å | ||
| 404 | T | 90.7 | Very high | 81.6 | Confident | 49 Ų | 49 | 84.3 Ų | 84.3 | 30% | 0.301 | 45% | 0.446 | S | S | . | . | trans | -101.8 | 13.6 | 174.6 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | W367 P369 | W367-T404 VanDerWaalsContact CD2-O 3.29Å; W367-T404 PolarHBondContact N-O 2.89Å; W367-T404 WeakPolarHBondContact O-CB 3.34Å; P369-T404 HydrophobicContact CG-CG2 4.06Å | ||
| 405 | Q | 91 | Very high | 81.8 | Confident | 101 Ų | 101 | 81.2 Ų | 81.2 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 149.9 | -176.8 | -55.4 | -172.2 | 5 | 0 | 0 | 111.2 | L364 V365 | L364-Q405 HydrophobicContact CD1-CB 4.24Å; V365-Q405 CarbonylContact O-C 3.47Å; V365-Q405 VanDerWaalsContact O-CA 3.23Å; V365-Q405 WeakPolarHBondContact O-CA 3.49Å |
| 406 | L | 89.7 | Confident | 81.9 | Confident | 33 Ų | 33 | 80.3 Ų | 80.3 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 129.3 | 175.8 | 174.3 | 66.5 | 0 | 0 | 0 | 110.1 | V365 W367 V384 W397 V399 I408 | V365-L406 HydrophobicContact CB-CB 4.48Å; V365-L406 PolarHBondContact N-O 3.45Å; V365-L406 PolarHBondContact O-N 2.94Å; W367-L406 HydrophobicContact CH2-CB 3.94Å; W367-L406 HydrophobicContact CZ3-CB 3.99Å; V384-L406 HydrophobicContact CB-CD2 3.95Å; V384-L406 HydrophobicContact CG1-CD2 4.08Å; V384-L406 HydrophobicContact CG2-CD2 3.92Å; W397-L406 HydrophobicContact CB-CD2 3.51Å; W397-L406 HydrophobicContact CD2-CD2 4.07Å; W397-L406 HydrophobicContact CE3-CD2 4.33Å; W397-L406 HydrophobicContact CG-CD2 3.72Å; V399-L406 HydrophobicContact CG2-CB 4.16Å; V399-L406 HydrophobicContact CG2-CD1 4.22Å; V399-L406 HydrophobicContact CG2-CD2 4.1Å; V399-L406 HydrophobicContact CG2-CG 4.39Å; L406-I408 HydrophobicContact CD2-CD1 4.32Å; L406-I408 HydrophobicContact CD2-CG1 4.06Å; L406-I408 HydrophobicContact CG-CG1 4.13Å |
| 407 | E | 88 | Confident | 81.8 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.9 | 172 | -172.3 | 170.8 | -155.9 | 0 | 0 | 110.8 | S362 L364 | S362-E407 WeakPolarHBondContact CB-OE1 3.49Å; S362-E407 PolarHBondContact OG-OE1 2.81Å; L364-E407 HydrophobicContact CD1-CB 4.43Å |
| 408 | I | 84.8 | Confident | 81.8 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.7 | 178.5 | -60 | 174.3 | 0 | 0 | 0 | 108.6 | S362 V363 V365 W397 L406 T410 V418 | S362-I408 CarbonylContact C-O 3.53Å; S362-I408 VanDerWaalsContact CA-O 3.28Å; S362-I408 WeakPolarHBondContact CA-O 3.2Å; V363-I408 PolarHBondContact N-O 3.09Å; V363-I408 PolarHBondContact O-N 2.91Å; V365-I408 HydrophobicContact CG2-CD1 3.5Å; V365-I408 HydrophobicContact CG2-CG1 4.07Å; W397-I408 HydrophobicContact CD2-CD1 4.46Å; W397-I408 HydrophobicContact CE3-CD1 3.99Å; W397-I408 HydrophobicContact CH2-CD1 3.81Å; W397-I408 HydrophobicContact CH2-CG1 4.28Å; W397-I408 HydrophobicContact CH2-CG2 3.89Å; W397-I408 HydrophobicContact CZ2-CD1 4.29Å; W397-I408 HydrophobicContact CZ2-CG1 4.27Å; W397-I408 HydrophobicContact CZ2-CG2 3.77Å; W397-I408 HydrophobicContact CZ3-CD1 3.64Å; W397-I408 HydrophobicContact CZ3-CG1 4.42Å; L406-I408 HydrophobicContact CD2-CD1 4.32Å; L406-I408 HydrophobicContact CD2-CG1 4.06Å; L406-I408 HydrophobicContact CG-CG1 4.13Å; I408-T410 PolarHBondContact O-N 3.49Å; I408-V418 HydrophobicContact CD1-CG2 4.48Å |
| 409 | T | 80.4 | Confident | 82 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 124.7 | 177.6 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 410 | T | 71.6 | Confident | 82.1 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | trans | -92.3 | 113.5 | -177.7 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | G361 S362 V363 I408 Y416 L439 | G361-T410 PolarHBondContact O-N 3.41Å; G361-T410 PolarHBondContact O-OG1 2.86Å; S362-T410 PolarHBondContact N-OG1 2.9Å; V363-T410 HydrophobicContact CB-CG2 4.1Å; V363-T410 HydrophobicContact CG2-CG2 3.57Å; I408-T410 PolarHBondContact O-N 3.49Å; T410-Y416 WeakPolarHBondContact CA-OH 3.2Å; T410-Y416 WeakPolarHBondContact CB-OH 3.43Å; T410-Y416 HydrophobicContact CG2-CD1 4.2Å; T410-Y416 HydrophobicContact CG2-CD2 4.38Å; T410-Y416 HydrophobicContact CG2-CE1 3.61Å; T410-Y416 HydrophobicContact CG2-CE2 3.82Å; T410-Y416 VanDerWaalsContact CG2-CZ 3.41Å; T410-L439 HydrophobicContact CG2-CD2 3.98Å | ||
| 411 | R | 64.1 | Low | 82.4 | Confident | 235 Ų | 235 | 63.3 Ų | 63.3 | 89% | 0.887 | 32% | 0.323 | S | S | * | . | trans | -89.8 | -18.8 | -173.4 | -158.4 | 172.3 | -173.8 | 173.7 | 2.5 | 113.7 | ||||
| 412 | M | 64.8 | Low | 82.9 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -146.9 | 151.1 | 177.8 | -66.7 | -63.1 | -69.3 | 0 | 0 | 109.7 | Y416 | M412-Y416 PolarHBondContact O-OH 2.92Š|
| 413 | P | 68.6 | Low | 83.3 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -65.3 | 150.1 | 164.8 | 30.1 | -34.9 | 0 | 0 | 0 | 110.7 | L439 Q441 | P413-L439 WeakPolarHBondContact CA-O 3.16Å; P413-L439 WeakPolarHBondContact CB-O 3.29Å; P413-Q441 HydrophobicContact CB-CB 4.13Å; P413-Q441 HydrophobicContact CG-CB 4.29Å |
| 414 | G | 73.2 | Confident | 83.5 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -173.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | L439 | G414-L439 PolarHBondContact N-O 3.46Å; G414-L439 VanDerWaalsContact N-O 3.14Å; G414-L439 PolarHBondContact O-N 2.8Å |
| 415 | S | 78 | Confident | 83.2 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.2 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | L437 | S415-L437 WeakPolarHBondContact CA-O 3.41Å |
| 416 | Y | 79.3 | Confident | 83 | Confident | 17 Ų | 17 | 47 Ų | 47 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105.5 | 175.8 | -72.4 | -97.7 | 0 | 0 | 0 | 108.8 | L356 L392 T410 M412 C436 L437 L439 | L356-Y416 VanDerWaalsContact CD1-O 3.3Å; L356-Y416 WeakPolarHBondContact CD1-O 3.43Å; L392-Y416 HydrophobicContact CD1-CD1 3.69Å; L392-Y416 HydrophobicContact CD1-CD2 4.28Å; L392-Y416 HydrophobicContact CD1-CE1 3.44Å; L392-Y416 VanDerWaalsContact CD1-CE1 3.44Å; L392-Y416 HydrophobicContact CD1-CE2 4.06Å; L392-Y416 HydrophobicContact CD1-CG 4.1Å; L392-Y416 HydrophobicContact CD2-CE1 4.15Å; L392-Y416 HydrophobicContact CG-CE1 4.47Å; T410-Y416 WeakPolarHBondContact CA-OH 3.2Å; T410-Y416 WeakPolarHBondContact CB-OH 3.43Å; T410-Y416 HydrophobicContact CG2-CD1 4.2Å; T410-Y416 HydrophobicContact CG2-CD2 4.38Å; T410-Y416 HydrophobicContact CG2-CE1 3.61Å; T410-Y416 HydrophobicContact CG2-CE2 3.82Å; T410-Y416 VanDerWaalsContact CG2-CZ 3.41Å; M412-Y416 PolarHBondContact O-OH 2.92Å; Y416-C436 CarbonylContact O-C 3.55Å; Y416-C436 WeakPolarHBondContact O-CA 3.33Å; Y416-L437 PolarHBondContact N-O 3.04Å; Y416-L437 PolarHBondContact O-N 3.1Å; Y416-L439 HydrophobicContact CD2-CB 4.33Å; Y416-L439 HydrophobicContact CE2-CB 4.32Å; Y416-L439 HydrophobicContact CE2-CD2 4.31Å |
| 417 | C | 86.4 | Confident | 82.9 | Confident | 23 Ų | 23 | 46.7 Ų | 46.7 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.6 | 174.6 | -67.2 | 0 | 0 | 0 | 0 | 110.2 | S386 L387 V435 C436 | S386-C417 CarbonylContact C-O 3.57Å; S386-C417 WeakPolarHBondContact CA-O 3.18Å; L387-C417 HydrophobicContact CB-CB 3.81Å; L387-C417 HydrophobicContact CD1-CB 4.45Å; L387-C417 PolarHBondContact N-O 2.79Å; C417-V435 CarbonylContact C-O 3.56Å; C417-V435 WeakPolarHBondContact CA-O 3.42Å; C417-C436 HydrophobicContact CB-CB 4.15Å; C417-C436 WeakPolarHBondContact CB-SG 3.46Å; C417-C436 WeakPolarHBondContact SG-CB 2.99Å; C417-C436 CovalentContact SG-SG 2.04Å; C417-C436 PolarHBondContact SG-SG 2.77Å |
| 418 | V | 88.8 | Confident | 83 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.2 | -173.2 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | L356 V365 V384 W385 I408 V420 V435 | L356-V418 HydrophobicContact CD1-CB 4.39Å; L356-V418 HydrophobicContact CD1-CG2 4.18Å; L356-V418 HydrophobicContact CD2-CB 4.09Å; L356-V418 HydrophobicContact CD2-CG2 3.85Å; V365-V418 HydrophobicContact CG1-CG1 4.04Å; V365-V418 HydrophobicContact CG2-CG1 4.43Å; V365-V418 HydrophobicContact CG2-CG2 4.49Å; V384-V418 HydrophobicContact CG1-CG1 3.45Å; V384-V418 VanDerWaalsContact CG1-CG1 3.45Å; W385-V418 WeakPolarHBondContact O-CA 3.31Å; I408-V418 HydrophobicContact CD1-CG2 4.48Å; V418-V420 HydrophobicContact CG1-CG2 4.37Å; V418-V435 PolarHBondContact N-O 3.31Å; V418-V435 PolarHBondContact O-N 3Å |
| 419 | Q | 92.3 | Very high | 83.2 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.7 | 163.9 | -67.4 | -178.5 | -79.4 | 0 | 0 | 110.2 | V384 W385 L387 L431 S432 P434 | V384-Q419 WeakPolarHBondContact CA-O 3.43Å; W385-Q419 PolarHBondContact N-O 2.97Å; W385-Q419 PolarHBondContact O-N 2.85Å; L387-Q419 HydrophobicContact CD1-CG 3.86Å; L387-Q419 HydrophobicContact CG-CG 4.35Å; Q419-L431 HydrophobicContact CB-CD2 4.04Å; Q419-S432 WeakPolarHBondContact CA-OG 3.45Å; Q419-S432 PolarHBondContact NE2-O 2.73Å; Q419-P434 HydrophobicContact CG-CB 4.16Å |
| 420 | V | 93.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.4 | 176.4 | -166.4 | 0 | 0 | 0 | 0 | 109.4 | P351 V354 V365 W367 Y382 Q383 V384 V418 S432 | P351-V420 HydrophobicContact CB-CG1 4.44Å; P351-V420 WeakPolarHBondContact CD-O 3.47Å; P351-V420 HydrophobicContact CG-CB 4.21Å; P351-V420 HydrophobicContact CG-CG1 3.96Å; V354-V420 HydrophobicContact CG1-CG2 3.92Å; V354-V420 HydrophobicContact CG2-CB 4.32Å; V354-V420 HydrophobicContact CG2-CG2 4.13Å; V365-V420 HydrophobicContact CG1-CG2 4.34Å; W367-V420 HydrophobicContact CD2-CG1 4.05Å; W367-V420 HydrophobicContact CD2-CG2 4.43Å; W367-V420 HydrophobicContact CE3-CG1 4.43Å; W367-V420 HydrophobicContact CE3-CG2 4.18Å; W367-V420 HydrophobicContact CG-CG1 4.3Å; Y382-V420 HydrophobicContact CD1-CG1 4.26Å; Y382-V420 HydrophobicContact CG-CG1 4.49Å; Q383-V420 CarbonylContact O-C 3.55Å; Q383-V420 WeakPolarHBondContact O-CA 3.13Å; V384-V420 HydrophobicContact CG1-CG2 4.43Å; V384-V420 HydrophobicContact CG2-CG1 4.12Å; V384-V420 HydrophobicContact CG2-CG2 4.29Å; V418-V420 HydrophobicContact CG1-CG2 4.37Å; V420-S432 PolarHBondContact N-OG 2.88Å; V420-S432 WeakPolarHBondContact O-CB 3.4Å; V420-S432 PolarHBondContact O-N 3.45Å |
| 421 | A | 93.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y382 Q383 W385 E430 L431 | Y382-A421 CarbonylContact C-O 3.58Å; Y382-A421 VanDerWaalsContact CA-O 3.31Å; Y382-A421 WeakPolarHBondContact CA-O 3.4Å; Q383-A421 PolarHBondContact N-O 2.8Å; Q383-A421 PolarHBondContact O-N 2.89Å; W385-A421 HydrophobicContact CH2-CB 3.92Å; W385-A421 HydrophobicContact CZ3-CB 3.61Å; A421-E430 WeakPolarHBondContact CB-O 3.13Å; A421-L431 HydrophobicContact CB-CD2 4.23Å |
| 422 | A | 93.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 150.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | P347 P351 P370 I379 Y382 G429 | P347-A422 HydrophobicContact CB-CB 4.29Å; P347-A422 HydrophobicContact CG-CB 3.93Å; P351-A422 HydrophobicContact CG-CB 4.32Å; P370-A422 HydrophobicContact CG-CB 3.67Å; I379-A422 HydrophobicContact CD1-CB 4.13Å; I379-A422 HydrophobicContact CG2-CB 4.28Å; Y382-A422 HydrophobicContact CD1-CB 3.96Å; Y382-A422 HydrophobicContact CE1-CB 3.78Å; A422-G429 PolarHBondContact O-N 3.41Å |
| 423 | V | 91.6 | Very high | 87.3 | Confident | 25 Ų | 25 | 32.5 Ų | 32.5 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125 | -173.8 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | R380 G381 Q383 G427 A428 | R380-V423 PolarHBondContact N-O 2.9Å; G381-V423 PolarHBondContact N-O 2.86Å; G381-V423 WeakPolarHBondContact O-CB 3.24Å; G381-V423 PolarHBondContact O-N 2.83Å; Q383-V423 HydrophobicContact CB-CG2 4.25Å; Q383-V423 HydrophobicContact CG-CG2 3.89Å; V423-G427 WeakPolarHBondContact CA-O 3.05Å; V423-A428 HydrophobicContact CG2-CB 4.15Å |
| 424 | T | 90.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -176.9 | 171.2 | 59.1 | 0 | 0 | 0 | 0 | 110.8 | K345 P347 H375 I378 I379 A426 G427 | K345-T424 PolarHBondContact O-OG1 2.96Å; P347-T424 HydrophobicContact CG-CG2 3.74Å; H375-T424 WeakPolarHBondContact O-CG2 3.36Å; I378-T424 WeakPolarHBondContact O-CA 3.1Å; I379-T424 HydrophobicContact CD1-CG2 3.89Å; T424-A426 PolarHBondContact O-N 2.99Å; T424-A426 VanDerWaalsContact O-N 3.14Å; T424-A426 PolarHBondContact OG1-N 2.9Å; T424-G427 PolarHBondContact N-O 2.87Å; T424-G427 PolarHBondContact O-N 2.61Å |
| 425 | G | 84.9 | Confident | 89 | Confident | 44 Ų | 44 | 34.5 Ų | 34.5 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E344 R380 | E344-G425 WeakPolarHBondContact OE2-CA 3.3Å; E344-G425 PolarHBondContact OE2-N 3.35Å; R380-G425 VanDerWaalsContact CZ-CA 3.48Å |
| 426 | A | 86.3 | Confident | 89.4 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -17.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E344 K345 V346 T424 | E344-A426 HydrophobicContact CB-CB 4.43Å; K345-A426 VanDerWaalsContact C-CB 3.49Å; V346-A426 HydrophobicContact CG1-CB 4.12Å; T424-A426 PolarHBondContact O-N 2.99Å; T424-A426 VanDerWaalsContact O-N 3.14Å; T424-A426 PolarHBondContact OG1-N 2.9Å |
| 427 | G | 87.8 | Confident | 89.7 | Confident | 27 Ų | 27 | 37 Ų | 37 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -169.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V423 T424 | V423-G427 WeakPolarHBondContact CA-O 3.05Å; T424-G427 PolarHBondContact N-O 2.87Å; T424-G427 PolarHBondContact O-N 2.61Å |
| 428 | A | 89.3 | Confident | 89.4 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V346 W385 V423 | V346-A428 WeakPolarHBondContact CG1-O 3.46Å; W385-A428 HydrophobicContact CH2-CB 4.4Å; V423-A428 HydrophobicContact CG2-CB 4.15Å |
| 429 | G | 90.5 | Very high | 88.8 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -157.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P347 A422 | P347-G429 VanDerWaalsContact O-CA 3.26Å; P347-G429 WeakPolarHBondContact O-CA 3.46Å; A422-G429 PolarHBondContact O-N 3.41Å |
| 430 | E | 91 | Very high | 87.6 | Confident | 114 Ų | 114 | 48.5 Ų | 48.5 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 142.4 | 179 | -170 | 167.6 | -152.1 | 0 | 0 | 112.7 | P347 P350 A421 | P347-E430 PolarHBondContact O-N 3.14Å; P350-E430 HydrophobicContact CB-CB 4.49Å; P350-E430 WeakPolarHBondContact CD-OE2 3.5Å; A421-E430 WeakPolarHBondContact CB-O 3.13Å |
| 431 | L | 91.1 | Very high | 85.9 | Confident | 77 Ų | 77 | 56 Ų | 56 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 137.5 | 176.6 | -75.7 | 158.6 | 0 | 0 | 0 | 110.6 | W385 Q419 A421 | W385-L431 HydrophobicContact CD2-CD2 4.2Å; W385-L431 HydrophobicContact CE3-CD2 3.46Å; W385-L431 VanDerWaalsContact CE3-CD2 3.46Å; W385-L431 HydrophobicContact CH2-CD2 3.91Å; W385-L431 HydrophobicContact CZ3-CD2 3.3Å; Q419-L431 HydrophobicContact CB-CD2 4.04Å; A421-L431 HydrophobicContact CB-CD2 4.23Å |
| 432 | S | 94.1 | Very high | 83.7 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -58 | 159.1 | 168.9 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | Q419 V420 | Q419-S432 WeakPolarHBondContact CA-OG 3.45Å; Q419-S432 PolarHBondContact NE2-O 2.73Å; V420-S432 PolarHBondContact N-OG 2.88Å; V420-S432 WeakPolarHBondContact O-CB 3.4Å; V420-S432 PolarHBondContact O-N 3.45Å |
| 433 | S | 89.4 | Confident | 81.1 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 149 | 161.6 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | V435 | S433-V435 PolarHBondContact O-N 2.91Š|
| 434 | P | 89.4 | Confident | 78.7 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 120.1 | -179.4 | 29.5 | -35.2 | 0 | 0 | 0 | 110.7 | L387 Q419 | L387-P434 HydrophobicContact CD1-CB 3.49Å; L387-P434 VanDerWaalsContact CD1-CB 3.49Å; Q419-P434 HydrophobicContact CG-CB 4.16Å |
| 435 | V | 88.9 | Confident | 76 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 22% | 0.218 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129 | 177.2 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | V354 L356 C417 V418 S433 | V354-V435 HydrophobicContact CB-CG2 3.96Å; V354-V435 HydrophobicContact CG1-CB 4.19Å; V354-V435 HydrophobicContact CG1-CG2 3.88Å; V354-V435 WeakPolarHBondContact O-CG2 2.97Å; L356-V435 HydrophobicContact CD1-CG1 4.22Å; L356-V435 VanDerWaalsContact CD1-O 3.29Å; L356-V435 WeakPolarHBondContact CD1-O 3.17Å; L356-V435 HydrophobicContact CG-CG1 4.05Å; C417-V435 CarbonylContact C-O 3.56Å; C417-V435 WeakPolarHBondContact CA-O 3.42Å; V418-V435 PolarHBondContact N-O 3.31Å; V418-V435 PolarHBondContact O-N 3Å; S433-V435 PolarHBondContact O-N 2.91Å |
| 436 | C | 87 | Confident | 73.4 | Confident | 74 Ų | 74 | 88.1 Ų | 88.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.1 | -173.5 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | Y416 C417 | Y416-C436 CarbonylContact O-C 3.55Å; Y416-C436 WeakPolarHBondContact O-CA 3.33Å; C417-C436 HydrophobicContact CB-CB 4.15Å; C417-C436 WeakPolarHBondContact CB-SG 3.46Å; C417-C436 WeakPolarHBondContact SG-CB 2.99Å; C417-C436 CovalentContact SG-SG 2.04Å; C417-C436 PolarHBondContact SG-SG 2.77Å |
| 437 | L | 84.3 | Confident | 71 | Confident | 35 Ų | 35 | 92.7 Ų | 92.7 | 18% | 0.183 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.4 | 175.2 | -178.4 | 72.6 | 0 | 0 | 0 | 109.9 | L356 P358 V363 S415 Y416 | L356-L437 HydrophobicContact CB-CB 3.82Å; L356-L437 HydrophobicContact CB-CD2 4.13Å; L356-L437 HydrophobicContact CB-CG 4.47Å; L356-L437 HydrophobicContact CD1-CB 3.82Å; L356-L437 HydrophobicContact CG-CB 4.49Å; P358-L437 HydrophobicContact CB-CD2 4.2Å; V363-L437 HydrophobicContact CG1-CD2 3.99Å; V363-L437 HydrophobicContact CG2-CD2 3.74Å; S415-L437 WeakPolarHBondContact CA-O 3.41Å; Y416-L437 PolarHBondContact N-O 3.04Å; Y416-L437 PolarHBondContact O-N 3.1Å |
| 438 | L | 80.1 | Confident | 68.4 | Low | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.4 | 170.9 | -176.3 | 64.9 | 0 | 0 | 0 | 109.6 | E440 | L438-E440 HydrophobicContact CD2-CG 4.13Å; L438-E440 HydrophobicContact CG-CG 4.15Å |
| 439 | L | 76.4 | Confident | 65.5 | Low | 35 Ų | 35 | 107.3 Ų | 107.3 | 18% | 0.183 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 94 | 176.5 | -170.7 | 69.5 | 0 | 0 | 0 | 109.8 | P358 T410 P413 G414 Y416 | P358-L439 HydrophobicContact CB-CD1 3.94Å; T410-L439 HydrophobicContact CG2-CD2 3.98Å; P413-L439 WeakPolarHBondContact CA-O 3.16Å; P413-L439 WeakPolarHBondContact CB-O 3.29Å; G414-L439 PolarHBondContact N-O 3.46Å; G414-L439 VanDerWaalsContact N-O 3.14Å; G414-L439 PolarHBondContact O-N 2.8Å; Y416-L439 HydrophobicContact CD2-CB 4.33Å; Y416-L439 HydrophobicContact CE2-CB 4.32Å; Y416-L439 HydrophobicContact CE2-CD2 4.31Å |
| 440 | E | 67.9 | Low | 63.4 | Low | 161 Ų | 161 | 112.3 Ų | 112.3 | 75% | 0.752 | 60% | 0.595 | S | S | * | * | trans | -76.7 | 147.6 | 173.6 | -62.7 | -168 | 152 | 0 | 0 | 111.6 | L438 | L438-E440 HydrophobicContact CD2-CG 4.13Å; L438-E440 HydrophobicContact CG-CG 4.15Å | ||
| 441 | Q | 57.7 | Low | 60.4 | Low | 157 Ų | 157 | 112.1 Ų | 112.1 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -88.8 | 112.9 | -177.4 | -171.1 | 173.5 | 9.2 | 0 | 0 | 110.9 | P413 M443 | P413-Q441 HydrophobicContact CB-CB 4.13Å; P413-Q441 HydrophobicContact CG-CB 4.29Å; Q441-M443 PolarHBondContact O-N 3.43Å | ||
| 442 | A | 45.7 | Very low | 57.6 | Low | 94 Ų | 94 | 116.1 Ų | 116.1 | 78% | 0.777 | 62% | 0.623 | S | S | * | * | trans | -62.4 | 106.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | E444 | A442-E444 PolarHBondContact O-N 2.87Š| ||
| 443 | M | 40.2 | Very low | 54.9 | Low | 186 Ų | 186 | 123.2 Ų | 123.2 | 92% | 0.916 | 66% | 0.655 | S | S | * | * | trans | -79.6 | 83.8 | -178.1 | -175.5 | -178.1 | 65.3 | 0 | 0 | 111 | Q441 | Q441-M443 PolarHBondContact O-N 3.43Š| ||
| 444 | E | 39.7 | Very low | 52.9 | Low | 151 Ų | 151 | 121.8 Ų | 121.8 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -114.8 | 135.7 | 170.7 | -74.1 | -155.6 | 142.6 | 0 | 0 | 113.6 | A442 | A442-E444 PolarHBondContact O-N 2.87Š| ||
| 445 | R | 34.1 | Very low | 51.2 | Low | 223 Ų | 223 | 124.1 Ų | 124.1 | 84% | 0.842 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 79.6 | 121 | -172.8 | -49.1 | 171 | -153.3 | 78.1 | -3.3 | 113.7 | ||
| 446 | A | 31.5 | Very low | 49.4 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 69% | 0.688 | S | S | * | * | cis | -161.4 | 134.4 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 447 | T | 34.7 | Very low | 48.3 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -135.8 | 144.8 | 148.6 | 41.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 448 | R | 32.6 | Very low | 47 | Very low | 214 Ų | 214 | 135.4 Ų | 135.4 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | trans | -81.5 | 151.5 | -162 | -59 | 170.9 | 102.7 | 100.7 | -7 | 114.2 | ||||
| 449 | E | 29.7 | Very low | 46.2 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 70.3 | 155.3 | 140.9 | -77.1 | 164.1 | -130.3 | 0 | 0 | 118.2 | ||||
| 450 | P | 46.1 | Very low | 45.3 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -124.5 | 149.3 | -131.8 | 40.2 | -29.2 | 0 | 0 | 0 | 116.5 | ||||
| 451 | S | 27.3 | Very low | 44.9 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -161.1 | 147.5 | 138 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 452 | E | 32.4 | Very low | 45.2 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | 1.7 | 137.1 | 149.3 | -51.1 | 174.4 | 152.2 | 0 | 0 | 117 | ||||
| 453 | H | 38.3 | Very low | 46.2 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | -148.1 | 145.9 | 51.3 | -75.6 | 55.7 | 0 | 0 | 0 | 113 | |||||
| 454 | G | 47.8 | Very low | 47.3 | Very low | 58 Ų | 58 | 125 Ų | 125 | 60% | 0.598 | 65% | 0.654 | S | S | * | * | trans | -76.9 | 175.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 455 | P | 51.8 | Low | 48.4 | Very low | 127 Ų | 127 | 123 Ų | 123 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -61.6 | 143.4 | -179.9 | 25.5 | -34.1 | 0 | 0 | 0 | 112.6 | T457 | P455-T457 PolarHBondContact O-N 2.79Š|
| 456 | W | 52.3 | Low | 49.9 | Very low | 159 Ų | 159 | 119.9 Ų | 119.9 | 60% | 0.602 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -65 | 126.7 | -170 | -70.3 | 66.3 | 0 | 0 | 0 | 112.4 | Q460 T464 | W456-Q460 HydrophobicContact CE3-CB 3.85Å; W456-Q460 HydrophobicContact CE3-CG 3.68Å; W456-Q460 HydrophobicContact CZ3-CB 4.45Å; W456-Q460 HydrophobicContact CZ3-CG 3.94Å; W456-T464 HydrophobicContact CH2-CG2 4.03Å; W456-T464 HydrophobicContact CZ3-CG2 3.62Å |
| 457 | T | 64.5 | Low | 52 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 54% | 0.54 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 155.5 | 171.3 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | P455 E459 Q460 L461 | P455-T457 PolarHBondContact O-N 2.79Å; T457-E459 VanDerWaalsContact C-N 3.27Å; T457-E459 PolarHBondContact O-N 3.35Å; T457-Q460 WeakPolarHBondContact O-CA 3.34Å; T457-Q460 WeakPolarHBondContact O-CB 3.45Å; T457-Q460 PolarHBondContact O-N 3Å; T457-Q460 PolarHBondContact OG1-OE1 2.7Å; T457-L461 PolarHBondContact O-N 3.29Å |
| 458 | L | 56.3 | Low | 53.8 | Low | 136 Ų | 136 | 120.2 Ų | 120.2 | 71% | 0.712 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.9 | -28.2 | -170.1 | -160.9 | 141.6 | 0 | 0 | 0 | 113.3 | R462 | L458-R462 PolarHBondContact O-N 3.44Å |
| 459 | E | 62.9 | Low | 55.8 | Low | 115 Ų | 115 | 116.6 Ų | 116.6 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.6 | -33.2 | 170.3 | -76.5 | -58.9 | 118.5 | 0 | 0 | 113.1 | T457 L461 R462 A463 | T457-E459 VanDerWaalsContact C-N 3.27Å; T457-E459 PolarHBondContact O-N 3.35Å; E459-L461 VanDerWaalsContact C-N 3.34Å; E459-L461 PolarHBondContact O-N 3.19Å; E459-R462 CarbonylContact O-C 3.55Å; E459-R462 WeakPolarHBondContact O-CA 3.42Å; E459-R462 WeakPolarHBondContact O-CB 3.32Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 VanDerWaalsContact O-N 3.12Å; E459-R462 VanDerWaalsContact OE1-CD 3.3Å; E459-R462 WeakPolarHBondContact OE1-CD 3.35Å; E459-R462 IonicContact OE1-CZ 3.82Å; E459-R462 IonicContact OE1-NE 2.81Å; E459-R462 IonicContact OE1-NH1 3.56Å; E459-R462 PolarHBondContact OE1-NH1 3.02Å; E459-A463 PolarHBondContact O-N 3.12Å |
| 460 | Q | 58 | Low | 58 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 36% | 0.355 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.5 | -35.9 | -180 | -143.2 | 165.9 | -4.6 | 0 | 0 | 111.1 | W456 T457 A463 T464 | W456-Q460 HydrophobicContact CE3-CB 3.85Å; W456-Q460 HydrophobicContact CE3-CG 3.68Å; W456-Q460 HydrophobicContact CZ3-CB 4.45Å; W456-Q460 HydrophobicContact CZ3-CG 3.94Å; T457-Q460 WeakPolarHBondContact O-CA 3.34Å; T457-Q460 WeakPolarHBondContact O-CB 3.45Å; T457-Q460 PolarHBondContact O-N 3Å; T457-Q460 PolarHBondContact OG1-OE1 2.7Å; Q460-A463 PolarHBondContact O-N 2.9Å; Q460-T464 PolarHBondContact O-N 2.88Å |
| 461 | L | 59.4 | Low | 59.3 | Low | 93 Ų | 93 | 110.7 Ų | 110.7 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -71.3 | -31.3 | 171 | -141.4 | 162.5 | 0 | 0 | 0 | 111.7 | T457 E459 A463 T464 L465 | T457-L461 PolarHBondContact O-N 3.29Å; E459-L461 VanDerWaalsContact C-N 3.34Å; E459-L461 PolarHBondContact O-N 3.19Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-T464 PolarHBondContact O-OG1 3.03Å; L461-L465 HydrophobicContact CD2-CD1 3.96Å; L461-L465 PolarHBondContact O-N 2.87Å |
| 462 | R | 63.3 | Low | 61.7 | Low | 138 Ų | 138 | 108.1 Ų | 108.1 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.1 | -29.8 | 172.1 | -137.4 | 174.3 | -154.4 | 160.2 | 7 | 112.9 | L458 E459 K466 | L458-R462 PolarHBondContact O-N 3.44Å; E459-R462 CarbonylContact O-C 3.55Å; E459-R462 WeakPolarHBondContact O-CA 3.42Å; E459-R462 WeakPolarHBondContact O-CB 3.32Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 VanDerWaalsContact O-N 3.12Å; E459-R462 VanDerWaalsContact OE1-CD 3.3Å; E459-R462 WeakPolarHBondContact OE1-CD 3.35Å; E459-R462 IonicContact OE1-CZ 3.82Å; E459-R462 IonicContact OE1-NE 2.81Å; E459-R462 IonicContact OE1-NH1 3.56Å; E459-R462 PolarHBondContact OE1-NH1 3.02Å; R462-K466 WeakPolarHBondContact O-CG 3.25Å |
| 463 | A | 67.1 | Low | 63.9 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -77.5 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E459 Q460 L461 K466 | E459-A463 PolarHBondContact O-N 3.12Å; Q460-A463 PolarHBondContact O-N 2.9Å; L461-A463 VanDerWaalsContact C-N 3.32Å; A463-K466 PolarHBondContact O-N 2.87Å |
| 464 | T | 63.8 | Low | 65.6 | Low | 45 Ų | 45 | 101.2 Ų | 101.2 | 28% | 0.276 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | W456 Q460 L461 K466 R467 | W456-T464 HydrophobicContact CH2-CG2 4.03Å; W456-T464 HydrophobicContact CZ3-CG2 3.62Å; Q460-T464 PolarHBondContact O-N 2.88Å; L461-T464 PolarHBondContact O-OG1 3.03Å; T464-K466 PolarHBondContact O-N 3.01Å; T464-K466 VanDerWaalsContact O-N 3.17Å; T464-R467 WeakPolarHBondContact O-CB 3.44Å; T464-R467 PolarHBondContact O-N 2.84Å; T464-R467 VanDerWaalsContact O-N 3.1Å |
| 465 | L | 62.3 | Low | 67.3 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.8 | 173.7 | -78.5 | 166.9 | 0 | 0 | 0 | 114.4 | L461 | L461-L465 HydrophobicContact CD2-CD1 3.96Å; L461-L465 PolarHBondContact O-N 2.87Å |
| 466 | K | 65.8 | Low | 68.9 | Low | 158 Ų | 158 | 98.4 Ų | 98.4 | 69% | 0.687 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -2.5 | 175 | -78.1 | 179 | 177.1 | 179 | 0 | 114.2 | R462 A463 T464 | R462-K466 WeakPolarHBondContact O-CG 3.25Å; A463-K466 PolarHBondContact O-N 2.87Å; T464-K466 PolarHBondContact O-N 3.01Å; T464-K466 VanDerWaalsContact O-N 3.17Å |
| 467 | R | 74.8 | Confident | 70.3 | Confident | 149 Ų | 149 | 95.1 Ų | 95.1 | 56% | 0.562 | 52% | 0.518 | S | S | * | . | trans | -70.4 | 132.2 | 177 | -68.1 | -172.5 | 178.7 | -160.3 | 1.7 | 110.5 | T464 E469 V470 I471 | T464-R467 WeakPolarHBondContact O-CB 3.44Å; T464-R467 PolarHBondContact O-N 2.84Å; T464-R467 VanDerWaalsContact O-N 3.1Å; R467-E469 PolarHBondContact O-N 2.82Å; R467-V470 HydrophobicContact CB-CG2 4.13Å; R467-V470 PolarHBondContact O-N 3.38Å; R467-V470 VanDerWaalsContact O-N 3.08Å; R467-I471 PolarHBondContact O-N 2.81Å | ||
| 468 | P | 73.3 | Confident | 71.1 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -30.2 | -174.3 | 24.3 | -34 | 0 | 0 | 0 | 113 | I471 A472 | P468-I471 PolarHBondContact O-N 3.19Å; P468-A472 VanDerWaalsContact O-CB 3.24Å; P468-A472 WeakPolarHBondContact O-CB 3.35Å; P468-A472 PolarHBondContact O-N 3.21Å |
| 469 | E | 75.3 | Confident | 72.5 | Confident | 139 Ų | 139 | 97.4 Ų | 97.4 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -37.8 | 176.1 | -63.3 | 161.9 | 175.9 | 0 | 0 | 112.7 | R467 T473 | R467-E469 PolarHBondContact O-N 2.82Å; E469-T473 WeakPolarHBondContact O-CG2 3.49Å; E469-T473 PolarHBondContact O-N 2.91Å; E469-T473 PolarHBondContact O-OG1 2.03Å |
| 470 | V | 75.1 | Confident | 73.6 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.6 | -42.6 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 110 | R467 A472 T473 C474 | R467-V470 HydrophobicContact CB-CG2 4.13Å; R467-V470 PolarHBondContact O-N 3.38Å; R467-V470 VanDerWaalsContact O-N 3.08Å; V470-A472 VanDerWaalsContact C-N 3.33Å; V470-A472 PolarHBondContact O-N 2.93Å; V470-T473 WeakPolarHBondContact CA-OG1 3.45Å; V470-T473 PolarHBondContact O-N 3.47Å; V470-T473 PolarHBondContact O-OG1 2.88Å; V470-T473 VanDerWaalsContact O-OG1 3.06Å; V470-C474 WeakPolarHBondContact O-CB 3.41Å; V470-C474 PolarHBondContact O-N 2.82Å; V470-C474 PolarHBondContact O-SG 3.16Å |
| 471 | I | 74.4 | Confident | 74.7 | Confident | 103 Ų | 103 | 98.6 Ų | 98.6 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.1 | -61.4 | 171.9 | 0 | 0 | 0 | 110.8 | R467 P468 G475 | R467-I471 PolarHBondContact O-N 2.81Å; P468-I471 PolarHBondContact O-N 3.19Å; I471-G475 PolarHBondContact O-N 2.95Å |
| 472 | A | 76.6 | Confident | 76 | Confident | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P468 V470 G475 V476 | P468-A472 VanDerWaalsContact O-CB 3.24Å; P468-A472 WeakPolarHBondContact O-CB 3.35Å; P468-A472 PolarHBondContact O-N 3.21Å; V470-A472 VanDerWaalsContact C-N 3.33Å; V470-A472 PolarHBondContact O-N 2.93Å; A472-G475 PolarHBondContact O-N 3.09Å; A472-V476 WeakPolarHBondContact O-CG2 3.43Å; A472-V476 PolarHBondContact O-N 2.9Å |
| 473 | T | 79.2 | Confident | 77.1 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 178.7 | 43.8 | 0 | 0 | 0 | 0 | 112.3 | E469 V470 G475 V476 V477 | E469-T473 WeakPolarHBondContact O-CG2 3.49Å; E469-T473 PolarHBondContact O-N 2.91Å; E469-T473 PolarHBondContact O-OG1 2.03Å; V470-T473 WeakPolarHBondContact CA-OG1 3.45Å; V470-T473 PolarHBondContact O-N 3.47Å; V470-T473 PolarHBondContact O-OG1 2.88Å; V470-T473 VanDerWaalsContact O-OG1 3.06Å; T473-G475 VanDerWaalsContact C-N 3.29Å; T473-G475 PolarHBondContact O-N 2.86Å; T473-V476 PolarHBondContact O-N 2.94Å; T473-V477 WeakPolarHBondContact O-CG2 3.47Å; T473-V477 PolarHBondContact O-N 3.2Å |
| 474 | C | 74.4 | Confident | 77.8 | Confident | 79 Ų | 79 | 95.6 Ų | 95.6 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 170.2 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | V470 V477 L478 | V470-C474 WeakPolarHBondContact O-CB 3.41Å; V470-C474 PolarHBondContact O-N 2.82Å; V470-C474 PolarHBondContact O-SG 3.16Å; C474-V477 PolarHBondContact O-N 2.67Å; C474-L478 WeakPolarHBondContact O-CB 3.24Å; C474-L478 PolarHBondContact O-N 2.97Å |
| 475 | G | 81.8 | Confident | 78.5 | Confident | 37 Ų | 37 | 97 Ų | 97 | 38% | 0.381 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I471 A472 T473 L478 W479 | I471-G475 PolarHBondContact O-N 2.95Å; A472-G475 PolarHBondContact O-N 3.09Å; T473-G475 VanDerWaalsContact C-N 3.29Å; T473-G475 PolarHBondContact O-N 2.86Å; G475-L478 PolarHBondContact O-N 3.17Å; G475-W479 WeakPolarHBondContact O-CB 3.33Å; G475-W479 PolarHBondContact O-N 3.31Å |
| 476 | V | 86.1 | Confident | 79.4 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 176.4 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | A472 T473 W479 L480 | A472-V476 WeakPolarHBondContact O-CG2 3.43Å; A472-V476 PolarHBondContact O-N 2.9Å; T473-V476 PolarHBondContact O-N 2.94Å; V476-W479 PolarHBondContact O-N 2.86Å; V476-L480 HydrophobicContact CG1-CD1 4.03Å; V476-L480 HydrophobicContact CG1-CG 4.49Å; V476-L480 WeakPolarHBondContact O-CG 3.31Å; V476-L480 PolarHBondContact O-N 2.81Å |
| 477 | V | 81.3 | Confident | 80.1 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | T473 C474 W479 L480 L481 | T473-V477 WeakPolarHBondContact O-CG2 3.47Å; T473-V477 PolarHBondContact O-N 3.2Å; C474-V477 PolarHBondContact O-N 2.67Å; V477-W479 PolarHBondContact O-N 2.89Å; V477-L480 PolarHBondContact O-N 3.49Å; V477-L481 HydrophobicContact CG1-CD1 4.23Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 2.98Å |
| 478 | L | 82.3 | Confident | 80 | Confident | 104 Ų | 104 | 87 Ų | 87 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 175.5 | -176 | 62 | 0 | 0 | 0 | 111.8 | C474 G475 L481 L482 | C474-L478 WeakPolarHBondContact O-CB 3.24Å; C474-L478 PolarHBondContact O-N 2.97Å; G475-L478 PolarHBondContact O-N 3.17Å; L478-L481 PolarHBondContact O-N 2.89Å; L478-L482 HydrophobicContact CD1-CD1 4.47Å; L478-L482 HydrophobicContact CG-CD1 4.12Å; L478-L482 WeakPolarHBondContact O-CB 3.49Å; L478-L482 VanDerWaalsContact O-CG 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.45Å; L478-L482 PolarHBondContact O-N 2.88Å |
| 479 | W | 86.3 | Confident | 80.1 | Confident | 168 Ų | 168 | 86.5 Ų | 86.5 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -39.1 | 177.9 | -157 | 87.9 | 0 | 0 | 0 | 112.1 | G475 V476 V477 L482 L483 | G475-W479 WeakPolarHBondContact O-CB 3.33Å; G475-W479 PolarHBondContact O-N 3.31Å; V476-W479 PolarHBondContact O-N 2.86Å; V477-W479 PolarHBondContact O-N 2.89Å; W479-L482 PolarHBondContact O-N 2.82Å; W479-L483 HydrophobicContact CE3-CB 4.5Å; W479-L483 HydrophobicContact CE3-CD2 4.49Å; W479-L483 HydrophobicContact CH2-CD1 4.1Å; W479-L483 HydrophobicContact CZ3-CD1 4.14Å; W479-L483 HydrophobicContact CZ3-CD2 3.9Å; W479-L483 HydrophobicContact CZ3-CG 4.43Å; W479-L483 VanDerWaalsContact O-CB 3.3Å; W479-L483 WeakPolarHBondContact O-CB 3.36Å; W479-L483 PolarHBondContact O-N 2.76Å |
| 480 | L | 85.5 | Confident | 80.1 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 173.9 | -71.7 | 169.3 | 0 | 0 | 0 | 112.4 | V476 V477 L483 G484 | V476-L480 HydrophobicContact CG1-CD1 4.03Å; V476-L480 HydrophobicContact CG1-CG 4.49Å; V476-L480 WeakPolarHBondContact O-CG 3.31Å; V476-L480 PolarHBondContact O-N 2.81Å; V477-L480 PolarHBondContact O-N 3.49Å; L480-L483 PolarHBondContact O-N 2.86Å; L480-G484 PolarHBondContact O-N 2.86Å |
| 481 | L | 81.7 | Confident | 80 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 173.6 | -74.8 | 166 | 0 | 0 | 0 | 112.2 | V477 L478 G484 T485 | V477-L481 HydrophobicContact CG1-CD1 4.23Å; V477-L481 WeakPolarHBondContact O-CG 3.38Å; V477-L481 PolarHBondContact O-N 2.98Å; L478-L481 PolarHBondContact O-N 2.89Å; L481-G484 PolarHBondContact O-N 2.85Å; L481-T485 WeakPolarHBondContact O-CG2 3.4Å; L481-T485 PolarHBondContact O-N 2.98Å; L481-T485 PolarHBondContact O-OG1 2.66Å |
| 482 | L | 86.6 | Confident | 79.5 | Confident | 102 Ų | 102 | 96.8 Ų | 96.8 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -37.4 | 174.7 | -71.5 | 170.7 | 0 | 0 | 0 | 112.1 | L478 W479 T485 A486 | L478-L482 HydrophobicContact CD1-CD1 4.47Å; L478-L482 HydrophobicContact CG-CD1 4.12Å; L478-L482 WeakPolarHBondContact O-CB 3.49Å; L478-L482 VanDerWaalsContact O-CG 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.45Å; L478-L482 PolarHBondContact O-N 2.88Å; W479-L482 PolarHBondContact O-N 2.82Å; L482-T485 WeakPolarHBondContact CA-OG1 3.39Å; L482-T485 PolarHBondContact O-OG1 3.02Å; L482-T485 VanDerWaalsContact O-OG1 3.07Å; L482-A486 WeakPolarHBondContact O-CB 3.32Å; L482-A486 PolarHBondContact O-N 2.85Å |
| 483 | L | 86 | Confident | 79 | Confident | 82 Ų | 82 | 104.1 Ų | 104.1 | 43% | 0.429 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 174.9 | -164.9 | 76 | 0 | 0 | 0 | 111.4 | W479 L480 A486 V487 | W479-L483 HydrophobicContact CE3-CB 4.5Å; W479-L483 HydrophobicContact CE3-CD2 4.49Å; W479-L483 HydrophobicContact CH2-CD1 4.1Å; W479-L483 HydrophobicContact CZ3-CD1 4.14Å; W479-L483 HydrophobicContact CZ3-CD2 3.9Å; W479-L483 HydrophobicContact CZ3-CG 4.43Å; W479-L483 VanDerWaalsContact O-CB 3.3Å; W479-L483 WeakPolarHBondContact O-CB 3.36Å; W479-L483 PolarHBondContact O-N 2.76Å; L480-L483 PolarHBondContact O-N 2.86Å; L483-A486 PolarHBondContact O-N 3.32Å; L483-V487 WeakPolarHBondContact O-CB 3.33Å; L483-V487 WeakPolarHBondContact O-CG2 3.44Å; L483-V487 PolarHBondContact O-N 2.84Å |
| 484 | G | 81.4 | Confident | 78.3 | Confident | 43 Ų | 43 | 109.6 Ų | 109.6 | 44% | 0.443 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L480 L481 V487 C488 | L480-G484 PolarHBondContact O-N 2.86Å; L481-G484 PolarHBondContact O-N 2.85Å; G484-V487 PolarHBondContact O-N 2.95Å; G484-C488 WeakPolarHBondContact O-CB 3.36Å; G484-C488 PolarHBondContact O-N 2.86Å |
| 485 | T | 78.6 | Confident | 77.4 | Confident | 75 Ų | 75 | 109.4 Ų | 109.4 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.9 | -39.6 | 174.9 | 49.1 | 0 | 0 | 0 | 0 | 112 | L481 L482 C488 I489 | L481-T485 WeakPolarHBondContact O-CG2 3.4Å; L481-T485 PolarHBondContact O-N 2.98Å; L481-T485 PolarHBondContact O-OG1 2.66Å; L482-T485 WeakPolarHBondContact CA-OG1 3.39Å; L482-T485 PolarHBondContact O-OG1 3.02Å; L482-T485 VanDerWaalsContact O-OG1 3.07Å; T485-C488 WeakPolarHBondContact O-CB 3.11Å; T485-C488 PolarHBondContact O-N 3.24Å; T485-I489 VanDerWaalsContact O-CG1 3.3Å; T485-I489 WeakPolarHBondContact O-CG1 3.43Å; T485-I489 PolarHBondContact O-N 2.74Å |
| 486 | A | 80.6 | Confident | 76.1 | Confident | 53 Ų | 53 | 111 Ų | 111 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62 | -42 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L482 L483 C488 I489 H490 | L482-A486 WeakPolarHBondContact O-CB 3.32Å; L482-A486 PolarHBondContact O-N 2.85Å; L483-A486 PolarHBondContact O-N 3.32Å; A486-C488 VanDerWaalsContact C-N 3.34Å; A486-I489 PolarHBondContact O-N 2.9Å; A486-H490 WeakPolarHBondContact O-CB 3.41Å; A486-H490 PolarHBondContact O-N 2.93Å |
| 487 | V | 80.4 | Confident | 74.1 | Confident | 74 Ų | 74 | 113 Ų | 113 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -40.4 | 173.9 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | L483 G484 H490 R491 | L483-V487 WeakPolarHBondContact O-CB 3.33Å; L483-V487 WeakPolarHBondContact O-CG2 3.44Å; L483-V487 PolarHBondContact O-N 2.84Å; G484-V487 PolarHBondContact O-N 2.95Å; V487-H490 PolarHBondContact O-N 2.83Å; V487-R491 WeakPolarHBondContact O-CB 3.18Å; V487-R491 WeakPolarHBondContact O-CG 3.28Å; V487-R491 PolarHBondContact O-N 3.29Å |
| 488 | C | 73.1 | Confident | 72.2 | Confident | 76 Ų | 76 | 117.5 Ų | 117.5 | 51% | 0.514 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.4 | -44.3 | 175.8 | -161 | 0 | 0 | 0 | 0 | 111.9 | G484 T485 A486 R491 R492 | G484-C488 WeakPolarHBondContact O-CB 3.36Å; G484-C488 PolarHBondContact O-N 2.86Å; T485-C488 WeakPolarHBondContact O-CB 3.11Å; T485-C488 PolarHBondContact O-N 3.24Å; A486-C488 VanDerWaalsContact C-N 3.34Å; C488-R491 PolarHBondContact O-N 2.72Å; C488-R492 PolarHBondContact O-N 2.98Å |
| 489 | I | 75.4 | Confident | 70.1 | Confident | 90 Ų | 90 | 120.7 Ų | 120.7 | 46% | 0.462 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.1 | -40.8 | 176.6 | -67.7 | 164.9 | 0 | 0 | 0 | 111.3 | T485 A486 R492 R493 | T485-I489 VanDerWaalsContact O-CG1 3.3Å; T485-I489 WeakPolarHBondContact O-CG1 3.43Å; T485-I489 PolarHBondContact O-N 2.74Å; A486-I489 PolarHBondContact O-N 2.9Å; I489-R492 PolarHBondContact O-N 3.07Å; I489-R493 HydrophobicContact CG2-CG 4.42Å; I489-R493 WeakPolarHBondContact O-CG 3.35Å; I489-R493 PolarHBondContact O-N 3.06Å |
| 490 | H | 75.6 | Confident | 67.8 | Low | 104 Ų | 104 | 115.7 Ų | 115.7 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.8 | -43.2 | 177.1 | -175.1 | 64.4 | 0 | 0 | 0 | 111.5 | A486 V487 R493 R494 | A486-H490 WeakPolarHBondContact O-CB 3.41Å; A486-H490 PolarHBondContact O-N 2.93Å; V487-H490 PolarHBondContact O-N 2.83Å; H490-R493 PolarHBondContact O-N 3.37Å; H490-R494 PolarHBondContact NE2-NH1 2.81Å; H490-R494 PolarHBondContact O-N 3.29Å; H490-R494 VanDerWaalsContact O-N 3.12Å |
| 491 | R | 72.9 | Confident | 65.6 | Low | 197 Ų | 197 | 117.6 Ų | 117.6 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.8 | -43.4 | 172.5 | -75.7 | -174.9 | 175 | -162.2 | -0.8 | 111.9 | V487 C488 R493 R494 | V487-R491 WeakPolarHBondContact O-CB 3.18Å; V487-R491 WeakPolarHBondContact O-CG 3.28Å; V487-R491 PolarHBondContact O-N 3.29Å; C488-R491 PolarHBondContact O-N 2.72Å; R491-R493 PolarHBondContact O-N 3.03Å; R491-R494 PolarHBondContact O-N 3.28Å |
| 492 | R | 62.8 | Low | 63.3 | Low | 209 Ų | 209 | 115.5 Ų | 115.5 | 79% | 0.789 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.6 | -40 | 174 | -87.6 | -171.6 | 170 | -170.1 | -2 | 113.5 | C488 I489 | C488-R492 PolarHBondContact O-N 2.98Å; I489-R492 PolarHBondContact O-N 3.07Å |
| 493 | R | 66.7 | Low | 60.8 | Low | 210 Ų | 210 | 118.3 Ų | 118.3 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76 | -21.8 | -178.5 | -72.3 | -174 | -174.9 | -163.9 | 3.2 | 114.3 | I489 H490 R491 | I489-R493 HydrophobicContact CG2-CG 4.42Å; I489-R493 WeakPolarHBondContact O-CG 3.35Å; I489-R493 PolarHBondContact O-N 3.06Å; H490-R493 PolarHBondContact O-N 3.37Å; R491-R493 PolarHBondContact O-N 3.03Å |
| 494 | R | 64.3 | Low | 58.1 | Low | 203 Ų | 203 | 123.5 Ų | 123.5 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -87.7 | -16.5 | -178.8 | -128.7 | 173.6 | -179.1 | 172.3 | -6 | 114.3 | H490 R491 G496 | H490-R494 PolarHBondContact NE2-NH1 2.81Å; H490-R494 PolarHBondContact O-N 3.29Å; H490-R494 VanDerWaalsContact O-N 3.12Å; R491-R494 PolarHBondContact O-N 3.28Å; R494-G496 PolarHBondContact O-N 3.05Å |
| 495 | A | 57 | Low | 56.2 | Low | 75 Ų | 75 | 133.3 Ų | 133.3 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -99.8 | 57 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V497 | A495-V497 PolarHBondContact O-N 2.68Š|
| 496 | G | 53.4 | Low | 53.9 | Low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | trans | -63.2 | 99 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R494 | R494-G496 PolarHBondContact O-N 3.05Š| ||
| 497 | V | 44.9 | Very low | 51.8 | Low | 129 Ų | 129 | 142.4 Ų | 142.4 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | -142.1 | 140.3 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | A495 | A495-V497 PolarHBondContact O-N 2.68Š| ||
| 498 | H | 41.2 | Very low | 49.3 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | trans | -77.7 | 145.2 | 173.5 | -67.1 | -84.5 | 0 | 0 | 0 | 112.2 | ||||
| 499 | L | 37.4 | Very low | 47.2 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | -152.6 | 129.3 | 154.2 | -101.4 | 136.4 | 0 | 0 | 0 | 109.2 | ||||
| 500 | G | 37.4 | Very low | 45.1 | Very low | 63 Ų | 63 | 151.5 Ų | 151.5 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | -87.5 | 157.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G502 | G500-G502 PolarHBondContact O-N 2.92Š| ||
| 501 | P | 39.5 | Very low | 42.8 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | trans | -79 | 105.1 | 179.2 | 31.6 | -32.8 | 0 | 0 | 0 | 111.2 | ||||
| 502 | G | 33.5 | Very low | 40.8 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -137.5 | 114.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | G500 | G500-G502 PolarHBondContact O-N 2.92Š| ||
| 503 | L | 34.8 | Very low | 39.3 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -51.8 | 144.3 | -165.9 | -92 | 79.2 | 0 | 0 | 0 | 113.7 | ||||
| 504 | Y | 29 | Very low | 37.4 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | -141.1 | 146.5 | 110.5 | -116.2 | -69.5 | 0 | 0 | 0 | 111.7 | Y506 | Y504-Y506 HydrophobicContact CD1-CD2 4.24Å; Y504-Y506 HydrophobicContact CD1-CG 4.36Å; Y504-Y506 HydrophobicContact CE1-CD2 4.5Å; Y504-Y506 PolarHBondContact O-N 3.27Å; Y504-Y506 VanDerWaalsContact O-N 3.09Å | |||
| 505 | R | 42.1 | Very low | 35.7 | Very low | 250 Ų | 250 | 140.6 Ų | 140.6 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -81.3 | 61 | 156.3 | -165.3 | 176.6 | -173.9 | 175 | 0.7 | 107.8 | ||
| 506 | Y | 30.5 | Very low | 34.4 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -165.8 | 130.7 | -171.2 | -140 | -82.8 | 0 | 0 | 0 | 104.4 | Y504 | Y504-Y506 HydrophobicContact CD1-CD2 4.24Å; Y504-Y506 HydrophobicContact CD1-CG 4.36Å; Y504-Y506 HydrophobicContact CE1-CD2 4.5Å; Y504-Y506 PolarHBondContact O-N 3.27Å; Y504-Y506 VanDerWaalsContact O-N 3.09Å |
| 507 | T | 35.6 | Very low | 33.1 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -131.7 | 116.5 | -177.6 | 51.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 508 | S | 27.9 | Very low | 32.2 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 73.8 | 131.2 | 158.9 | 78.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 509 | K | 28.5 | Very low | 31.7 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | 88 | 134.6 | 145.8 | -76.8 | -179.6 | 176.7 | -173.7 | 0 | 120.5 | ||||
| 510 | D | 31.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 135.4 | 150.8 | -51.5 | -17.6 | 0 | 0 | 0 | 118.7 | ||||
| 511 | A | 28 | Very low | 30.8 | Very low | 77 Ų | 77 | 150.6 Ų | 150.6 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -164.3 | 141.3 | -16.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 512 | I | 30.9 | Very low | 30.3 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 68.8 | 146.3 | 138.9 | -69 | 169.2 | 0 | 0 | 0 | 119 | ||||
| 513 | L | 31.5 | Very low | 30.1 | Very low | 153 Ų | 153 | 152 Ų | 152 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | 63.4 | 119.2 | -179.7 | -64.5 | 155.5 | 0 | 0 | 0 | 114.7 | ||||
| 514 | K | 26.8 | Very low | 30 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | cis | 60.8 | 71.2 | 4.6 | -160.7 | -156.1 | 174.4 | -178.1 | 0 | 116.6 | ||||
| 515 | H | 29.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 152 Ų | 152 | 63% | 0.634 | 75% | 0.748 | S | S | * | * | -176 | 147.6 | 115 | -113.8 | -75.7 | 0 | 0 | 0 | 113.4 | |||||
| 516 | R | 28 | Very low | 29.5 | Very low | 219 Ų | 219 | 143.2 Ų | 143.2 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | 66.3 | 133.5 | 166.7 | -63.3 | 174.3 | -169.7 | 164 | 3.9 | 113.6 | ||||
| 517 | M | 26.9 | Very low | 29.3 | Very low | 162 Ų | 162 | 141 Ų | 141 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | cis | 63.5 | 77.9 | 30.4 | -163.9 | 171.7 | 179 | 0 | 0 | 113.2 | ||||
| 518 | D | 26.8 | Very low | 29 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -134.9 | 140 | 134.9 | -96.6 | -52.6 | 0 | 0 | 0 | 110.8 | ||||
| 519 | H | 30.1 | Very low | 28.9 | Very low | 152 Ų | 152 | 147 Ų | 147 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | trans | -7.4 | 137.4 | 143.4 | -47.9 | 88.4 | 0 | 0 | 0 | 116 | ||||
| 520 | S | 26.7 | Very low | 28.8 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | cis | -153.2 | -156.6 | 1.1 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 521 | D | 29.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | cis | -155.6 | -147.9 | 16.3 | -149 | -86.8 | 0 | 0 | 0 | 112.8 | ||||
| 522 | S | 28.1 | Very low | 28.5 | Very low | 85 Ų | 85 | 150.3 Ų | 150.3 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | -100.6 | 174.6 | -175.2 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 523 | Q | 29.7 | Very low | 28.3 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | cis | -161.3 | 145.2 | 10.6 | -151.7 | 165.5 | 25.9 | 0 | 0 | 110.8 | ||||
| 524 | W | 33.8 | Very low | 28.1 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 62.5 | 149.6 | 155 | -87.4 | 25.4 | 0 | 0 | 0 | 117.8 | ||||
| 525 | L | 32.7 | Very low | 28.1 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | cis | -144 | 138.7 | 5.8 | -101.5 | 151.9 | 0 | 0 | 0 | 104.9 | ||||
| 526 | A | 26.8 | Very low | 28.2 | Very low | 66 Ų | 66 | 145 Ų | 145 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | cis | 56.8 | 127.8 | 36.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 527 | D | 27.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | cis | -159.4 | 155.3 | -11.2 | -107 | -49.5 | 0 | 0 | 0 | 106.3 | ||||
| 528 | T | 28.4 | Very low | 28.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | 168.1 | 141.4 | 149.8 | 31.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 529 | W | 26.3 | Very low | 28.3 | Very low | 229 Ų | 229 | 138.3 Ų | 138.3 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | cis | -149.9 | 148.7 | -18.8 | -130.1 | 42.6 | 0 | 0 | 0 | 106.7 | ||||
| 530 | R | 26.1 | Very low | 28.2 | Very low | 228 Ų | 228 | 135.5 Ų | 135.5 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -98.7 | 136.5 | 174.2 | -82.4 | -166.9 | -179.3 | -147.8 | 3.4 | 111.5 | ||||
| 531 | S | 26.6 | Very low | 28.3 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 49.2 | 114.3 | 139.1 | -54 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 532 | T | 27 | Very low | 28.3 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -131.9 | 90.8 | 156.6 | 39.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 533 | S | 24.9 | Very low | 28.3 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -152.6 | 110.1 | 154.6 | 63.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 534 | G | 27.8 | Very low | 28.2 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | cis | -172.8 | -128.8 | -2.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 535 | S | 27.8 | Very low | 27.9 | Very low | 96 Ų | 96 | 128 Ų | 128 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | 84.6 | 105.7 | 170.7 | -170.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 536 | R | 30.6 | Very low | 27.6 | Very low | 211 Ų | 211 | 125.9 Ų | 125.9 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | 91.4 | 133.6 | 129.8 | -83.6 | -175.3 | 169.2 | 90.1 | -0.2 | 122.5 | |||||
| 537 | D | 29.8 | Very low | 27.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 80.8 | 104.8 | 134.2 | -58.2 | -10 | 0 | 0 | 0 | 121.9 | ||||
| 538 | L | 27.4 | Very low | 27.8 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | 74.2 | 111.4 | 125.5 | -62.8 | 173.2 | 0 | 0 | 0 | 120.6 | |||||
| 539 | S | 26.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 89.2 | 160.2 | 121.6 | 76.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 540 | S | 27.7 | Very low | 28.1 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | 59.2 | 92.2 | 163.7 | 46.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 541 | S | 29 | Very low | 28.2 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 43.9 | 137.3 | 111.5 | 65.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 542 | S | 29.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 56 | 135.1 | 139.3 | 63.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 543 | S | 29.3 | Very low | 29.6 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -178 | -162.5 | 4 | 50.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 544 | L | 27.6 | Very low | 29.8 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | trans | 14.5 | 139.4 | 141.2 | -61.4 | 165.9 | 0 | 0 | 0 | 119.2 | ||||
| 545 | S | 26.5 | Very low | 30.7 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | cis | 176.1 | 160.3 | -5.9 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 546 | S | 26.7 | Very low | 30.9 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | 71.8 | 166.9 | 141.6 | 79.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 547 | R | 29.7 | Very low | 30.7 | Very low | 215 Ų | 215 | 127.2 Ų | 127.2 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | 77.8 | 96.9 | 166.6 | -61 | 167 | -159.8 | -95.4 | -3.5 | 114.2 | ||||
| 548 | L | 29.5 | Very low | 30.7 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | 82.2 | 102.2 | 75.8 | -82.6 | 167.6 | 0 | 0 | 0 | 111.4 | |||||
| 549 | G | 27.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -93 | 136.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 550 | A | 31.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -163.2 | 121.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 551 | D | 28.5 | Very low | 30.9 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | -171.8 | 174.3 | 101.6 | -122.5 | 16.4 | 0 | 0 | 0 | 109.1 | |||||
| 552 | P | 51.6 | Low | 31 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | trans | -129.5 | -177.2 | -137.3 | 39.9 | -21.5 | 0 | 0 | 0 | 114.5 | ||||
| 553 | R | 32.1 | Very low | 31 | Very low | 240 Ų | 240 | 140.7 Ų | 140.7 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | 174.2 | 135.4 | 121.6 | -95.2 | 166.5 | -173 | -157.7 | 1.7 | 113.6 | |||||
| 554 | D | 29.6 | Very low | 31 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -57.2 | 164.3 | 153.5 | -95.3 | -54.7 | 0 | 0 | 0 | 112 | ||||
| 555 | P | 46.3 | Very low | 31 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -153 | 172.1 | 39.8 | 43.9 | -23.6 | 0 | 0 | 0 | 120.8 | ||||
| 556 | L | 31.7 | Very low | 31.1 | Very low | 141 Ų | 141 | 149 Ų | 149 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 77.7 | 117.5 | 140.3 | -108.7 | 139.7 | 0 | 0 | 0 | 120.9 | ||||
| 557 | D | 27.3 | Very low | 31.3 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 33.7 | 133.1 | 133.7 | -77.7 | -45.7 | 0 | 0 | 0 | 120.2 | ||||
| 558 | C | 28.1 | Very low | 31.5 | Very low | 103 Ų | 103 | 151 Ų | 151 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | -165.2 | 143.8 | 55.1 | -145.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 559 | R | 27.5 | Very low | 31.7 | Very low | 225 Ų | 225 | 148 Ų | 148 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | trans | 19.9 | 118.5 | 149.5 | -62.6 | 175.1 | 172.5 | -164.3 | -3.1 | 119.7 | ||||
| 560 | R | 30 | Very low | 32.6 | Very low | 239 Ų | 239 | 150.3 Ų | 150.3 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | -167.1 | 99.4 | 115.2 | -107.9 | 175.6 | 174.9 | 165.2 | -0.6 | 115 | |||||
| 561 | S | 29.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 149.1 Ų | 149.1 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | 35.4 | 121.1 | 125.5 | 62.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 562 | L | 31.7 | Very low | 32.8 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | 75.4 | 121.2 | 127.1 | -63.8 | 171.3 | 0 | 0 | 0 | 121.1 | |||||
| 563 | L | 29.2 | Very low | 32.5 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | 75.8 | 117.9 | 131.3 | -70.9 | 170.6 | 0 | 0 | 0 | 120.8 | ||||
| 564 | S | 29.3 | Very low | 32.5 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 44.3 | 121.7 | 136 | 61.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 565 | W | 26.8 | Very low | 32.5 | Very low | 257 Ų | 257 | 144.4 Ų | 144.4 | 97% | 0.973 | 77% | 0.774 | S | S | * | * | trans | -52.2 | 139.6 | 141.9 | -75.5 | -5.5 | 0 | 0 | 0 | 110.8 | ||||
| 566 | D | 28.6 | Very low | 32.6 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -143.9 | 172.1 | 137.5 | -144.7 | -30.1 | 0 | 0 | 0 | 109.5 | ||||
| 567 | S | 31.7 | Very low | 32.4 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -92.8 | 154.1 | -154.8 | 54.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 568 | R | 32.5 | Very low | 32.5 | Very low | 238 Ų | 238 | 142.9 Ų | 142.9 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 153.4 | 171.9 | -68.7 | -177.7 | -168 | -160.1 | 4.5 | 111.2 | ||||
| 569 | S | 33.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | cis | -155.7 | -128.3 | -8.9 | -84.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 570 | P | 47.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -130.6 | 165.9 | -110.3 | 41 | -24.3 | 0 | 0 | 0 | 118.9 | |||||
| 571 | G | 31.9 | Very low | 33 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 95.8 | 117 | 158 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 572 | V | 32.3 | Very low | 33 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | cis | 76.2 | 117 | 31 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 573 | P | 45.4 | Very low | 32.9 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | -148.6 | 151.6 | 68.1 | 37 | -16 | 0 | 0 | 0 | 121 | |||||
| 574 | L | 31.3 | Very low | 32.9 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 53.6 | 128.8 | 142.9 | -53.6 | 169.6 | 0 | 0 | 0 | 120.6 | ||||
| 575 | L | 30.7 | Very low | 32.9 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 70.8 | 146.9 | 52.6 | -76 | 166.2 | 0 | 0 | 0 | 115.1 | |||||
| 576 | P | 48 | Very low | 33 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | cis | -138.2 | 177.7 | 3.3 | 43.6 | -26.1 | 0 | 0 | 0 | 117.4 | ||||
| 577 | D | 28 | Very low | 33.1 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 46.2 | 151.1 | 135.8 | -62.4 | -8.2 | 0 | 0 | 0 | 123.6 | ||||
| 578 | T | 29.5 | Very low | 33 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | -165.9 | 150 | -5.4 | 23.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 579 | S | 29.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 73 | 163.5 | 140.9 | 78.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 580 | T | 33.8 | Very low | 33.5 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 75.9 | 167.2 | 170.5 | 73.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 581 | F | 31.5 | Very low | 32.5 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | -168.3 | 144 | -72.3 | -132.9 | -66.8 | 0 | 0 | 0 | 108 | |||||
| 582 | Y | 30.8 | Very low | 32.5 | Very low | 220 Ų | 220 | 131.4 Ų | 131.4 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | trans | 62.7 | 142 | 166.1 | -93.4 | -70.7 | 0 | 0 | 0 | 121 | ||||
| 583 | G | 28 | Very low | 33.1 | Very low | 61 Ų | 61 | 130.4 Ų | 130.4 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | 108.8 | 73.6 | 119.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 584 | S | 29.8 | Very low | 33.8 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 6.4 | 130 | 141.9 | 56.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 585 | L | 28.5 | Very low | 33.7 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | -171 | -176.1 | 120.3 | -103.3 | 166.8 | 0 | 0 | 0 | 113.9 | |||||
| 586 | I | 30.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 132 Ų | 132 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -105 | 143.2 | -157.7 | -68.6 | 160.8 | 0 | 0 | 0 | 113.4 | ||||
| 587 | A | 30.2 | Very low | 33.9 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 65.8 | 156.1 | 165 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 588 | E | 28.3 | Very low | 34.2 | Very low | 196 Ų | 196 | 131 Ų | 131 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | cis | -131.7 | -166.4 | 24.1 | -63.2 | -151.6 | 112.6 | 0 | 0 | 115.4 | ||||
| 589 | L | 30.7 | Very low | 35.6 | Very low | 152 Ų | 152 | 131 Ų | 131 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -100.3 | 161 | -176.8 | -140 | 83.5 | 0 | 0 | 0 | 113.2 | ||||
| 590 | P | 46.1 | Very low | 35.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | -141.9 | -172.8 | 98.5 | 44.5 | -31.5 | 0 | 0 | 0 | 111.9 | |||||
| 591 | S | 28.2 | Very low | 35.7 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -146 | -93.4 | 13.5 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 592 | S | 32.1 | Very low | 36.5 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -175.6 | 168.6 | -156.5 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 593 | P | 43.8 | Very low | 36.7 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -132.1 | -159.1 | 24.4 | 49.1 | -30.2 | 0 | 0 | 0 | 113.1 | ||||
| 594 | P | 59.8 | Low | 36.8 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | -134.1 | 175 | -105.1 | 36 | -13.8 | 0 | 0 | 0 | 118.3 | |||||
| 595 | A | 29.6 | Very low | 36.9 | Very low | 106 Ų | 106 | 132 Ų | 132 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | 87.5 | 138.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 596 | R | 33.3 | Very low | 36.8 | Very low | 217 Ų | 217 | 135.1 Ų | 135.1 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | trans | -155.2 | 168 | 177.7 | -155.7 | -169.1 | -168.4 | -178.9 | 7.6 | 107.6 | ||||
| 597 | P | 49.9 | Very low | 37.1 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | -144 | 179.9 | 111.7 | 31.4 | -13 | 0 | 0 | 0 | 115.5 | |||||
| 598 | S | 35 | Very low | 38.7 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | trans | -133.4 | -148.5 | -177.2 | 63.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 599 | P | 58.6 | Low | 39.6 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -110.3 | -155.5 | 16 | 30.4 | -6.9 | 0 | 0 | 0 | 111.6 | ||||
| 600 | Q | 32.3 | Very low | 39.6 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | cis | -135.9 | 169.2 | 14 | -81.2 | -156 | 89.9 | 0 | 0 | 110.4 | ||||
| 601 | V | 32 | Very low | 38.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | 77.8 | 139.8 | 31.5 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 602 | P | 50 | Low | 38.8 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -112.3 | -141.1 | 14.3 | 44.5 | -33.7 | 0 | 0 | 0 | 115.9 | ||||
| 603 | A | 33.3 | Very low | 38.6 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -155.1 | -159.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 604 | V | 30.9 | Very low | 37.7 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | -170.2 | 151.5 | 25.2 | 78.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 605 | R | 31.4 | Very low | 36.1 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 20 | 143.5 | 155.1 | -60.4 | 162.6 | 177 | 156.7 | -9.5 | 122.8 | ||||
| 606 | R | 27.9 | Very low | 36.1 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | 175.2 | 173.3 | 100.1 | -94.8 | -170.4 | 179.2 | 166 | 2.2 | 114.6 | |||||
| 607 | L | 35 | Very low | 37.1 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -143.2 | 176.2 | -175.3 | -119.6 | 175.2 | 0 | 0 | 0 | 110.2 | ||||
| 608 | P | 63.7 | Low | 35.8 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | -94.6 | -169.4 | -112.8 | 43.6 | -32 | 0 | 0 | 0 | 115.9 | |||||
| 609 | P | 47.6 | Very low | 35.5 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | -142.2 | -177.2 | 118.8 | 39.8 | -26.6 | 0 | 0 | 0 | 115.5 | |||||
| 610 | Q | 30.8 | Very low | 34.1 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -102.3 | -176.6 | 179.6 | -74.9 | -167.6 | -12.9 | 0 | 0 | 114.2 | ||||
| 611 | L | 30.3 | Very low | 34 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | 82.6 | 144.8 | 169.7 | -62.7 | 157.4 | 0 | 0 | 0 | 115.1 | ||||
| 612 | A | 28.5 | Very low | 33.9 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | cis | -145 | -166.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 613 | R | 26.9 | Very low | 33.1 | Very low | 227 Ų | 227 | 136.9 Ų | 136.9 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | cis | -157.8 | 135.6 | 7 | -140.1 | 163.9 | -164.3 | 166.3 | 4.9 | 105.9 | ||||
| 614 | L | 25.5 | Very low | 32.8 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | 53.7 | 101.1 | 73.2 | -88.5 | 171.9 | 0 | 0 | 0 | 116.3 | |||||
| 615 | S | 24.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | -172.4 | 160.8 | 129.8 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 616 | S | 30.2 | Very low | 32.5 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -134.8 | -142.5 | -174 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 617 | P | 54.6 | Low | 32.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -115.6 | 162.5 | -114.3 | 39 | -24.2 | 0 | 0 | 0 | 115.9 | |||||
| 618 | C | 22.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -171.6 | 165.1 | 160.6 | -104.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 619 | S | 27.7 | Very low | 30.4 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -179.1 | 172.4 | -34.8 | 55.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 620 | S | 29.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 70.6 | 174.9 | 166.3 | 77.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 621 | S | 32.1 | Very low | 29.2 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | -165.5 | 179.5 | -105.6 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 622 | D | 28.9 | Very low | 29.2 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 68.2 | 163 | 159.9 | -53.4 | -55.3 | 0 | 0 | 0 | 117.6 | ||||
| 623 | S | 32.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | cis | -166.2 | 163.7 | -41.9 | 64.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 624 | L | 28.3 | Very low | 30.4 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | 168.8 | 169.3 | 137.4 | -94.2 | 167.4 | 0 | 0 | 0 | 112.7 | ||||
| 625 | C | 26.3 | Very low | 30.4 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -126.2 | 154.2 | -166.9 | -66.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 626 | S | 29.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 106.6 | 147.6 | 130.3 | 85.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 627 | R | 27.9 | Very low | 30.4 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 86 | 113.2 | 152.9 | -69 | -175 | 175.7 | -148.1 | -1.3 | 122.1 | ||||
| 628 | R | 26.3 | Very low | 29.1 | Very low | 225 Ų | 225 | 131.9 Ų | 131.9 | 85% | 0.849 | 77% | 0.769 | S | S | * | * | 60.5 | 122.8 | 128.4 | -61.4 | 179.7 | 177 | -172.2 | -2.7 | 119.8 | |||||
| 629 | G | 27.1 | Very low | 30.1 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | -170.4 | 124.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 630 | L | 27.8 | Very low | 29.9 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | trans | -77.4 | 164.5 | 169.1 | -64 | 143.1 | 0 | 0 | 0 | 108.9 | ||||
| 631 | S | 26.5 | Very low | 29.9 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | cis | -154 | 176.4 | 19.3 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 632 | S | 30 | Very low | 29.6 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -79.7 | -176.2 | 174 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 633 | P | 49.5 | Very low | 29.5 | Very low | 95 Ų | 95 | 140 Ų | 140 | 62% | 0.617 | 78% | 0.778 | S | S | * | * | cis | -150.3 | 158.4 | 27.3 | 43.3 | -21.8 | 0 | 0 | 0 | 121.5 | ||||
| 634 | R | 30.4 | Very low | 29.4 | Very low | 221 Ų | 221 | 144.4 Ų | 144.4 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 148 | 150.3 | -65.5 | 154.5 | -174.3 | -117 | 0.9 | 117.8 | ||||
| 635 | L | 27.3 | Very low | 29.5 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -163.6 | 154.9 | -17.2 | -92.4 | 161.1 | 0 | 0 | 0 | 104.6 | ||||
| 636 | S | 26.1 | Very low | 29.7 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | cis | -164.9 | 132.2 | -12 | 42 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 637 | L | 27.3 | Very low | 29.7 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | 36.2 | 119.4 | 143.4 | -73.8 | 148.1 | 0 | 0 | 0 | 120.7 | ||||
| 638 | A | 28.8 | Very low | 29.7 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -80.2 | -172.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 639 | P | 42.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -125.8 | -169.1 | 44.9 | 41.5 | -23.8 | 0 | 0 | 0 | 112.3 | ||||
| 640 | T | 24.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -151.5 | 162.5 | 17.6 | -15.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 641 | E | 27.1 | Very low | 29.6 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 44.6 | 83.4 | 158.8 | -56.6 | -37.6 | 103.9 | 0 | 0 | 120.6 | ||||
| 642 | A | 26.5 | Very low | 29.7 | Very low | 85 Ų | 85 | 149.9 Ų | 149.9 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -152.8 | 94.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 111 | K644 | A642-K644 PolarHBondContact O-N 2.98Š| ||
| 643 | W | 26.1 | Very low | 29.6 | Very low | 258 Ų | 258 | 152 Ų | 152 | 98% | 0.977 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 104.5 | -177.9 | -135.4 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 644 | K | 31.6 | Very low | 28.4 | Very low | 190 Ų | 190 | 153 Ų | 153 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -101.1 | 137.2 | 171 | -70.5 | 176.9 | -179.4 | 170.4 | 0 | 110.4 | A642 | A642-K644 PolarHBondContact O-N 2.98Š| ||
| 645 | A | 29.8 | Very low | 28.1 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -143.1 | 122.3 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 646 | K | 32 | Very low | 27.9 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -155.1 | 126.8 | 179.7 | -162.9 | 172.6 | -173.3 | 172.8 | 0 | 110.2 | ||||
| 647 | K | 28.3 | Very low | 27.9 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 78.4 | 122.9 | 157.3 | -163.5 | 178.6 | -174 | 179.9 | 0 | 118.9 | ||||
| 648 | K | 27.7 | Very low | 28.6 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 67.8 | 162.5 | 160.9 | -78.3 | -167.7 | 170.2 | -157.9 | 0 | 116.6 | ||||
| 649 | Q | 24.6 | Very low | 28.4 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | cis | -142.4 | -173.1 | 13.5 | -151.6 | 145.4 | -51.1 | 0 | 0 | 114 | ||||
| 650 | E | 27.6 | Very low | 27.5 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -92.1 | -176 | -169.7 | -53.7 | 168.7 | 103.6 | 0 | 0 | 115.6 | ||||
| 651 | L | 27.2 | Very low | 27.4 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 81.9 | 152.1 | 165.5 | -59.3 | 149.9 | 0 | 0 | 0 | 114.5 | ||||
| 652 | Q | 28.5 | Very low | 27.2 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | cis | -140.2 | -179.1 | 25.2 | -47.1 | 173.9 | -22 | 0 | 0 | 110.5 | ||||
| 653 | H | 27.1 | Very low | 27.2 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | cis | -153.5 | -179.5 | -6.7 | -137.2 | 35.3 | 0 | 0 | 0 | 107.4 | ||||
| 654 | V | 24.6 | Very low | 27.2 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | -176.3 | 145 | 74.6 | 161.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 655 | N | 24.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 100.8 | 160 | -73 | -0.5 | 0 | 0 | 0 | 123.2 | ||||
| 656 | S | 23.5 | Very low | 27 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 67.3 | 106.7 | 116.7 | 71.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 657 | S | 25.6 | Very low | 26.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | -68.5 | 164.8 | 126.1 | -27.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 658 | P | 41.6 | Very low | 26.6 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | cis | -131.5 | -164.4 | 37.3 | 38.5 | -16.6 | 0 | 0 | 0 | 112.5 | ||||
| 659 | L | 24.5 | Very low | 26.4 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | cis | -168.3 | 160.2 | 34 | -125.3 | 178.1 | 0 | 0 | 0 | 109.9 | ||||
| 660 | L | 24.6 | Very low | 26.4 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | 65.5 | 164.1 | 162.1 | -58.1 | 168.6 | 0 | 0 | 0 | 118 | ||||
| 661 | R | 22.1 | Very low | 26.2 | Very low | 227 Ų | 227 | 136.9 Ų | 136.9 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | cis | -167.3 | 125.9 | -37 | 168.3 | 178.7 | -93.9 | -177.2 | -6.8 | 109.7 | ||||
| 662 | G | 24.6 | Very low | 26.2 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 82 | 166.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 663 | S | 26.3 | Very low | 25.9 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -178.3 | 101.5 | -20.4 | 42.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 664 | Q | 25.8 | Very low | 25.8 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 58.6 | 175 | 170.1 | -82.8 | -179.8 | -28.4 | 0 | 0 | 116.5 | ||||
| 665 | P | 33.7 | Very low | 25.9 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -96.5 | 179.8 | -13 | 42.2 | -34.1 | 0 | 0 | 0 | 110.9 | ||||
| 666 | L | 23.8 | Very low | 26 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | cis | 87.8 | 121.5 | 16.7 | -142.8 | 85.3 | 0 | 0 | 0 | 117.8 | ||||
| 667 | E | 26 | Very low | 26.1 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 87.1 | 149.3 | 146.2 | -123 | -167.8 | 176.5 | 0 | 0 | 123.3 | ||||
| 668 | L | 24.7 | Very low | 26.4 | Very low | 123 Ų | 123 | 140 Ų | 140 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | trans | 71.4 | 155.1 | 158.4 | -58.5 | 169.8 | 0 | 0 | 0 | 120.2 | ||||
| 669 | R | 24.6 | Very low | 25.8 | Very low | 214 Ų | 214 | 143.1 Ų | 143.1 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | cis | -173.6 | 154.1 | -45.1 | -129.1 | -169.2 | -165.7 | 158.7 | 3.7 | 110.8 | ||||
| 670 | A | 23.8 | Very low | 26 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | 56.3 | -160.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 671 | C | 24.4 | Very low | 26.2 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -123.1 | 174.9 | -161.1 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 672 | E | 25.3 | Very low | 26.2 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 83.2 | 145.8 | 159.6 | -60.2 | -163.6 | 154.9 | 0 | 0 | 121.4 | ||||
| 673 | L | 24 | Very low | 26.4 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | 50 | 115 | 155.1 | -108.6 | 64 | 0 | 0 | 0 | 120.3 | ||||
| 674 | G | 24.7 | Very low | 26.5 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -174 | 75.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 675 | N | 25.2 | Very low | 27.4 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -81.5 | 126.9 | -179.6 | -167.3 | 0.3 | 0 | 0 | 0 | 112.1 | ||||
| 676 | R | 26.1 | Very low | 27.1 | Very low | 235 Ų | 235 | 136.8 Ų | 136.8 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 65.6 | 152 | 177.4 | -50.2 | 177.4 | 178.4 | -173.2 | -2.8 | 116.1 | ||||
| 677 | G | 26 | Very low | 27.2 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | cis | 143.3 | 133.2 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 678 | S | 31.5 | Very low | 27.7 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 77 | 167.6 | 161.5 | -159 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 679 | K | 30.9 | Very low | 28.9 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 74.6 | 128.2 | 178.8 | -59.5 | 178.4 | -175.8 | 178.6 | 0 | 113.4 | ||||
| 680 | N | 27.8 | Very low | 29.3 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | cis | -154.4 | 164.6 | 14 | -98.4 | -17 | 0 | 0 | 0 | 108.2 | ||||
| 681 | L | 28.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | cis | -142.8 | 128.3 | 6.9 | -95 | 125.9 | 0 | 0 | 0 | 106.3 | ||||
| 682 | S | 23.1 | Very low | 29.8 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | 80.7 | 122.9 | 85.8 | 87.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 683 | Q | 28 | Very low | 30 | Very low | 187 Ų | 187 | 130.4 Ų | 130.4 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 77.7 | 128.1 | 147.6 | -65.2 | 173.3 | -5.5 | 0 | 0 | 121.1 | ||||
| 684 | S | 28.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -56.3 | 177.1 | 155.8 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 685 | P | 45.6 | Very low | 30.4 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | -148 | 172.2 | 19.8 | 42.8 | -23.2 | 0 | 0 | 0 | 119.1 | ||||
| 686 | G | 25.9 | Very low | 30.6 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | 99 | 153.1 | 125.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 687 | A | 27.4 | Very low | 30.8 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | 75.3 | 153.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 688 | V | 34.7 | Very low | 31 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -149.4 | 138.7 | -168.2 | 163.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 689 | P | 50.3 | Low | 30.8 | Very low | 102 Ų | 102 | 129 Ų | 129 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | -160.1 | 149.4 | 105.6 | 39.2 | -18.4 | 0 | 0 | 0 | 120 | |||||
| 690 | Q | 34.5 | Very low | 31.4 | Very low | 177 Ų | 177 | 126.4 Ų | 126.4 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 66.7 | 159.2 | 138.5 | -67.8 | 164.9 | -5.6 | 0 | 0 | 119.2 | ||||
| 691 | A | 29.2 | Very low | 31.4 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -137 | 150.2 | 13.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 692 | L | 28.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | 54.7 | 140.6 | 94.6 | -57.4 | 165.4 | 0 | 0 | 0 | 114.5 | |||||
| 693 | V | 29.8 | Very low | 31.5 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | cis | -142.7 | 161.4 | 38.6 | 173.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 694 | A | 29.7 | Very low | 31.4 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -74.4 | -173.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 695 | W | 27.3 | Very low | 31.2 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 72% | 0.716 | 77% | 0.765 | S | S | * | * | -164.5 | 153 | 68.3 | -94 | 71.7 | 0 | 0 | 0 | 114 | |||||
| 696 | R | 28.9 | Very low | 30.4 | Very low | 208 Ų | 208 | 127.6 Ų | 127.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 14 | 157 | 151.1 | -53.2 | -170.2 | -174.7 | 172.8 | 3.1 | 120.9 | ||||
| 697 | A | 31.1 | Very low | 30.6 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | cis | -161.4 | 156.5 | 28.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 698 | L | 29.4 | Very low | 30.7 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | 51.3 | 132.8 | 140.9 | -65.1 | 165.5 | 0 | 0 | 0 | 121.8 | ||||
| 699 | G | 27.3 | Very low | 30.5 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | -132.5 | -173.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 700 | P | 44.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -119 | 145.4 | 146.8 | 31 | -19.6 | 0 | 0 | 0 | 110.3 | ||||
| 701 | K | 27 | Very low | 29.2 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | cis | 59.3 | 108.6 | 18.8 | -102.8 | -166.5 | 178 | -173.1 | 0 | 112.8 | ||||
| 702 | L | 27.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -165.6 | -177 | 45.7 | -79.8 | 140.3 | 0 | 0 | 0 | 108.1 | ||||
| 703 | L | 26.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | cis | -128.4 | 159.6 | 4 | -79.3 | 87.2 | 0 | 0 | 0 | 107.9 | ||||
| 704 | S | 25.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | 81 | 93.4 | 32.1 | -176.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 705 | S | 24.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -137.1 | 162.8 | 141.5 | 73.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 706 | S | 29.3 | Very low | 32.9 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -158 | 155.9 | -173.4 | -59.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 707 | N | 29.6 | Very low | 32.9 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -150.2 | 110.5 | 155 | -95.5 | -14.7 | 0 | 0 | 0 | 109.8 | ||||
| 708 | E | 29.9 | Very low | 33.8 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | 60 | 110.5 | 121.5 | -55.2 | -136.2 | 119 | 0 | 0 | 122.3 | |||||
| 709 | L | 29.9 | Very low | 33.7 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | 56.7 | 136.1 | 114.9 | -74.5 | 128.9 | 0 | 0 | 0 | 119.3 | |||||
| 710 | V | 29.3 | Very low | 34 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | -158.7 | 133.9 | 71.3 | 149.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 711 | T | 28.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 45.7 | 141.2 | 158.8 | 60.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 712 | R | 35.4 | Very low | 34.1 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | -136.1 | 154.7 | 155.5 | -97.6 | -176.5 | 170.7 | -177.6 | -1.6 | 107.6 | ||||
| 713 | P | 47.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | -155.3 | 141.7 | 98.4 | 36.4 | -16.2 | 0 | 0 | 0 | 119 | |||||
| 714 | L | 29.6 | Very low | 33.9 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 128 | 143.2 | -60.9 | 169.1 | 0 | 0 | 0 | 122.1 | ||||
| 715 | P | 59.8 | Low | 35.6 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -119.9 | 161 | 178.5 | 41.9 | -32.2 | 0 | 0 | 0 | 116.7 | ||||
| 716 | P | 50.6 | Low | 37 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | trans | -118.4 | -167 | 164.7 | 40.1 | -27.9 | 0 | 0 | 0 | 114.1 | ||||
| 717 | A | 27.4 | Very low | 36.9 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -142 | -169 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 718 | P | 50.3 | Low | 36.9 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | -144.5 | -161.7 | -2.1 | 43 | -21.4 | 0 | 0 | 0 | 116.2 | ||||
| 719 | L | 27.4 | Very low | 36.8 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | 85.8 | 159.6 | 147.1 | -76.6 | 174.6 | 0 | 0 | 0 | 125.1 | ||||
| 720 | F | 32.9 | Very low | 37 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -74.6 | 177.4 | 180 | -60.5 | -101.3 | 0 | 0 | 0 | 114.9 | ||||
| 721 | P | 47.3 | Very low | 37.1 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | -141.6 | -167.4 | 87.9 | 44.8 | -30.3 | 0 | 0 | 0 | 112.4 | |||||
| 722 | H | 26.5 | Very low | 37 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | cis | -150.3 | -152 | -0.6 | -145.5 | -35.2 | 0 | 0 | 0 | 111.8 | ||||
| 723 | E | 24.8 | Very low | 36.6 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -153.7 | 148.6 | -162.2 | -108.4 | -170.4 | 126.7 | 0 | 0 | 117.2 | ||||
| 724 | T | 26.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | 65.2 | 167.5 | 148.1 | 65.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 725 | P | 61 | Low | 38.4 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | cis | -119.6 | -127 | -13.4 | 35.4 | -14 | 0 | 0 | 0 | 110.2 | ||||
| 726 | P | 54.6 | Low | 37 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | cis | -134.4 | 171.7 | -37.3 | 36.5 | -17.7 | 0 | 0 | 0 | 117.6 | ||||
| 727 | T | 27.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | 80.9 | 125.1 | 149.3 | 9.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 728 | Q | 28.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 61.6 | 111.4 | 149.2 | -84 | 173.3 | -4.7 | 0 | 0 | 120 | ||||
| 729 | S | 28.2 | Very low | 35.6 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | 88.2 | 140.8 | 69.9 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 730 | Q | 33.4 | Very low | 35.6 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -161.4 | -178.4 | 2.3 | -133.3 | 156.1 | -97.2 | 0 | 0 | 106.7 | ||||
| 731 | Q | 31.8 | Very low | 36.3 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | cis | -164.4 | -172.7 | 10.3 | -150.6 | 171.7 | -100.8 | 0 | 0 | 106 | ||||
| 732 | T | 26.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | cis | -150.8 | -156.1 | 6.5 | -35.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 733 | Q | 26.4 | Very low | 35.7 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -171.1 | -153.5 | -170.2 | -123.8 | -177.5 | 3.2 | 0 | 0 | 107.6 | ||||
| 734 | P | 58.8 | Low | 35.8 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | cis | -111.2 | -135.6 | -31.4 | 38.5 | -19.6 | 0 | 0 | 0 | 108.5 | ||||
| 735 | P | 56.9 | Low | 35.8 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -123.1 | -164 | -18.3 | 42.3 | -23.6 | 0 | 0 | 0 | 114.5 | ||||
| 736 | V | 29.3 | Very low | 34.1 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -152.9 | 149.4 | -160.3 | 161.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 737 | A | 27 | Very low | 32.7 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 76.9 | 178.3 | 156 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 738 | P | 46.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | cis | -139.8 | -151.7 | 9.5 | 45.2 | -23.5 | 0 | 0 | 0 | 119.2 | ||||
| 739 | Q | 27.1 | Very low | 32.4 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -110.7 | 159.3 | -144.9 | -50.3 | 165.2 | -39.6 | 0 | 0 | 118.3 | ||||
| 740 | A | 27.9 | Very low | 33.2 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | 59.7 | -178.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 741 | P | 47.5 | Very low | 33.1 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -139.7 | 172.7 | -5.1 | 44.4 | -26.4 | 0 | 0 | 0 | 118.6 | ||||
| 742 | S | 29.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 42.6 | 119.2 | 139.2 | -57.5 | 0 | 0 | 0 | 0 | 127 | ||||
| 743 | S | 30.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 90.1 | 148.8 | 114 | 77.3 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 744 | I | 28.3 | Very low | 33.9 | Very low | 147 Ų | 147 | 125 Ų | 125 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 97.2 | 109.4 | 140 | -81.7 | 161.7 | 0 | 0 | 0 | 123.8 | ||||
| 745 | L | 25.1 | Very low | 32.4 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 60 | 136.3 | 134.9 | -55.2 | 178.6 | 0 | 0 | 0 | 127.6 | ||||
| 746 | L | 25.6 | Very low | 32 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 75.6 | 105.4 | 137.3 | -98.2 | 78.6 | 0 | 0 | 0 | 124.9 | ||||
| 747 | A | 25.6 | Very low | 31.7 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | 79.3 | 157.3 | 108.3 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 748 | T | 22.9 | Very low | 31.9 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 104.1 | 142.9 | 155.3 | -21.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 749 | A | 26.7 | Very low | 32.4 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -100.2 | -170.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 750 | P | 44.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | cis | -144.6 | -174.7 | 15.1 | 42.6 | -20.2 | 0 | 0 | 0 | 118.9 | ||||
| 751 | I | 31.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -46.6 | 170 | 161.1 | 29.6 | 168.4 | 0 | 0 | 0 | 115.1 | ||||
| 752 | P | 48.4 | Very low | 34 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | cis | -159.8 | -171.2 | 40.9 | 41.5 | -15.5 | 0 | 0 | 0 | 121.4 | ||||
| 753 | I | 28.3 | Very low | 34 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 54.9 | 129.9 | 156.7 | 20.2 | 163.5 | 0 | 0 | 0 | 124.2 | ||||
| 754 | L | 26.2 | Very low | 34 | Very low | 155 Ų | 155 | 123.9 Ų | 123.9 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | 177.9 | 169.8 | 89.5 | -114.6 | 166.5 | 0 | 0 | 0 | 114.4 | |||||
| 755 | S | 26.6 | Very low | 34 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -128.7 | -161.3 | 176.3 | -45 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 756 | P | 48 | Very low | 34.1 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -150.2 | -169.2 | 12.9 | 46.1 | -24.3 | 0 | 0 | 0 | 119 | ||||
| 757 | C | 22.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | 98.2 | 145.4 | 142.4 | -81.6 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 758 | S | 31.1 | Very low | 34.2 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -115 | -158.9 | 177.1 | -38.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 759 | P | 58.4 | Low | 34.5 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | cis | -128.9 | -144.6 | 32.2 | 39.7 | -16.5 | 0 | 0 | 0 | 110.7 | ||||
| 760 | P | 52.3 | Low | 35.4 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | cis | -133.2 | -158.7 | -10.6 | 43.3 | -23.5 | 0 | 0 | 0 | 114.9 | ||||
| 761 | S | 33.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | trans | -157 | 177.3 | 170.8 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 762 | P | 50.4 | Low | 35.8 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -137.9 | 148.4 | 116.7 | 34.8 | -21.7 | 0 | 0 | 0 | 112.8 | |||||
| 763 | Q | 29.4 | Very low | 34.8 | Very low | 177 Ų | 177 | 117.8 Ų | 117.8 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | cis | 82.4 | 142.6 | 44.1 | -71.8 | -162.1 | 7.2 | 0 | 0 | 115.3 | ||||
| 764 | A | 29.3 | Very low | 34.9 | Very low | 77 Ų | 77 | 116.1 Ų | 116.1 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -173.7 | -175.4 | -15 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 765 | S | 28.5 | Very low | 35 | Very low | 119 Ų | 119 | 113 Ų | 113 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 79.8 | 144.4 | 167 | 84.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 766 | S | 27.1 | Very low | 35.2 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -158.3 | -177 | -10.1 | 58.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 767 | L | 28.2 | Very low | 34.2 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | cis | -152.6 | -170.4 | 4.5 | -139.7 | 177.7 | 0 | 0 | 0 | 108 | ||||
| 768 | S | 25.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 119 Ų | 119 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -160.5 | 151.5 | -175.1 | 60.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 769 | G | 28.8 | Very low | 34.3 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | 98.1 | 170.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 770 | P | 45.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 117.5 Ų | 117.5 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | cis | -117.4 | 171.5 | 17.4 | 41.2 | -31.7 | 0 | 0 | 0 | 116.7 | ||||
| 771 | S | 29.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -103.3 | -161.6 | 168.2 | -38.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 772 | P | 54 | Low | 31.5 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | cis | -133.6 | -165.1 | 31.6 | 42.6 | -20.3 | 0 | 0 | 0 | 112.7 | ||||
| 773 | A | 27.9 | Very low | 30.4 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | cis | -156 | 157.6 | 13.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 774 | S | 29.4 | Very low | 30.4 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | 53 | 147.7 | 148.2 | 56.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 775 | S | 29.5 | Very low | 30.4 | Very low | 91 Ų | 91 | 118 Ų | 118 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -173.7 | 160.9 | -20.9 | 52.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 776 | H | 29.1 | Very low | 30.3 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | cis | -142.5 | 165.4 | 22.8 | -89 | -90.9 | 0 | 0 | 0 | 112.4 | ||||
| 777 | L | 27.4 | Very low | 30.8 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -75.1 | 168.6 | 162.2 | -66.7 | 157.6 | 0 | 0 | 0 | 109.8 | ||||
| 778 | S | 27 | Very low | 31.2 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | cis | -159.1 | 165.5 | 39.9 | -58.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 779 | S | 29 | Very low | 31.6 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -103.6 | -179.6 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 780 | S | 28.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 69.1 | 150.1 | 156.6 | 27.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 781 | S | 30.1 | Very low | 31.2 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -165.3 | 164.6 | -1.9 | -114.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 782 | L | 28.3 | Very low | 31.3 | Very low | 153 Ų | 153 | 121 Ų | 121 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | trans | 58.6 | 119.7 | 144.8 | -69 | 165.9 | 0 | 0 | 0 | 123 | ||||
| 783 | S | 25.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | -168.3 | 114.3 | 120.5 | 58 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 784 | S | 29.5 | Very low | 30.5 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | cis | 94.4 | 102.8 | 33 | -169.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 785 | L | 29.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | trans | 52.6 | 140.9 | 148.3 | -86.2 | 64.1 | 0 | 0 | 0 | 122.4 | E787 | L785-E787 HydrophobicContact CD2-CG 4.06Å; L785-E787 WeakPolarHBondContact CD2-OE2 3.38Å; L785-E787 HydrophobicContact CG-CG 4.34Å | ||
| 786 | G | 27.3 | Very low | 31.4 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -141.3 | 115.3 | 139 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 787 | E | 37.3 | Very low | 31.8 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -107 | 166.4 | 171.1 | -62.7 | 169.6 | 133.8 | 0 | 0 | 108 | L785 | L785-E787 HydrophobicContact CD2-CG 4.06Å; L785-E787 WeakPolarHBondContact CD2-OE2 3.38Å; L785-E787 HydrophobicContact CG-CG 4.34Å | ||
| 788 | D | 36.2 | Very low | 32 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -131 | -129.5 | 4.4 | -165.1 | 18.2 | 0 | 0 | 0 | 109 | ||||
| 789 | Q | 34.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | cis | -159.6 | 165.4 | 1.1 | -159.4 | 126.9 | 83.9 | 0 | 0 | 111.2 | ||||
| 790 | D | 31.3 | Very low | 32.4 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 134.9 | 163.4 | -78.8 | -37.3 | 0 | 0 | 0 | 119.9 | ||||
| 791 | S | 33.8 | Very low | 32.3 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -164.6 | 147.6 | -15.3 | -129 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 792 | V | 33 | Very low | 32.4 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 46.8 | 118.9 | 155.6 | -176.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 793 | L | 30 | Very low | 32.5 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | -162.7 | 163.8 | 126.6 | -107.6 | 172 | 0 | 0 | 0 | 112.1 | |||||
| 794 | T | 35.3 | Very low | 32.7 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -148.4 | 170.1 | -169.2 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 795 | P | 43.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -129.8 | -161.2 | -14.3 | 25 | 0.4 | 0 | 0 | 0 | 112.4 | ||||
| 796 | E | 32.8 | Very low | 32.6 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | 83.2 | 163.4 | 161.2 | -53.2 | -169.5 | 173.3 | 0 | 0 | 118.8 | ||||
| 797 | E | 37.4 | Very low | 32.6 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | 65.9 | 37.3 | 175.8 | -54.7 | -157.2 | 147.7 | 0 | 0 | 120.5 | ||||
| 798 | V | 32.3 | Very low | 32.3 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -131 | 125.1 | 159.6 | -177 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 799 | A | 32.6 | Very low | 31.9 | Very low | 86 Ų | 86 | 144.4 Ų | 144.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 79 | 123.1 | 165 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 800 | L | 30.3 | Very low | 31.7 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | -165.9 | 164.3 | 92.4 | -104.7 | 163 | 0 | 0 | 0 | 113.2 | |||||
| 801 | C | 28.1 | Very low | 32.3 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -107.5 | 169.5 | 175.3 | -74.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 802 | L | 31.1 | Very low | 32.1 | Very low | 170 Ų | 170 | 148 Ų | 148 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -48.4 | 146.5 | 179.6 | -64.2 | 153.8 | 0 | 0 | 0 | 116 | ||||
| 803 | E | 31.6 | Very low | 31.7 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | -163.5 | 128.6 | 129 | -110.2 | 179.1 | -169.9 | 0 | 0 | 115.1 | |||||
| 804 | L | 28.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 147 Ų | 147 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 51 | 131.6 | 143 | -63.2 | 168.1 | 0 | 0 | 0 | 127.3 | ||||
| 805 | S | 27.1 | Very low | 31.3 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | 63.1 | 135.7 | 140.5 | 60 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 806 | E | 29.5 | Very low | 30.6 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | cis | -161.3 | 175.4 | 49.9 | -75.7 | -170.7 | 134.9 | 0 | 0 | 114.1 | ||||
| 807 | G | 28.6 | Very low | 31 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 80.8 | 109.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 808 | E | 30.1 | Very low | 30.5 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | cis | 89.1 | 95 | 41 | -167.9 | 167.2 | -159.7 | 0 | 0 | 115.8 | ||||
| 809 | E | 28.7 | Very low | 31.3 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | -168.6 | 167.1 | 120.4 | -107.7 | -165.6 | 153.5 | 0 | 0 | 111 | |||||
| 810 | T | 30.8 | Very low | 31 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -136.1 | 158 | 179.6 | 78.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 811 | P | 43.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 82% | 0.815 | S | S | * | * | -156.2 | 154.9 | 82.9 | 39.5 | -20.1 | 0 | 0 | 0 | 118 | |||||
| 812 | R | 27.9 | Very low | 31.8 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 52.1 | 134.5 | 137.6 | -63.4 | 175 | -173.5 | 167.5 | 3.1 | 119.4 | ||||
| 813 | N | 26.5 | Very low | 31.7 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | cis | -150.7 | 162.8 | 43.4 | -94.1 | -54 | 0 | 0 | 0 | 113.9 | ||||
| 814 | S | 27.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -87.5 | 142.7 | 177 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 815 | A | 28.6 | Very low | 33.8 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -172.2 | 130.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 816 | S | 28.9 | Very low | 33.9 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -107.8 | 150.7 | 147.1 | 59.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 817 | P | 41.5 | Very low | 33.8 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -148.5 | 167.6 | 90.7 | 39.2 | -21.9 | 0 | 0 | 0 | 116.3 | |||||
| 818 | M | 26.8 | Very low | 33.8 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -86 | 173.9 | 170 | -176.3 | 173 | -172.3 | 0 | 0 | 110.3 | ||||
| 819 | P | 47.9 | Very low | 33.7 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -118.2 | -179.4 | -36 | 33.3 | -17.9 | 0 | 0 | 0 | 112.5 | ||||
| 820 | R | 27.3 | Very low | 33.7 | Very low | 242 Ų | 242 | 137.4 Ų | 137.4 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -156.9 | 133.2 | 153.1 | -150.8 | 165.7 | -71.9 | 151.5 | -2.6 | 115.4 | ||||
| 821 | A | 33.1 | Very low | 33.5 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -131.1 | 157.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 822 | P | 40.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | -156 | 151.9 | 75.1 | 40.1 | -19.4 | 0 | 0 | 0 | 118.9 | |||||
| 823 | S | 29.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 67.9 | 172.2 | 134.1 | 84.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 824 | P | 55.5 | Low | 32.9 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -113.4 | -154.6 | -151 | 48.9 | -42.9 | 0 | 0 | 0 | 113.2 | ||||
| 825 | P | 49.2 | Very low | 32.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -144.9 | -168.3 | 2.3 | 34.2 | -8.2 | 0 | 0 | 0 | 118.7 | ||||
| 826 | T | 27.9 | Very low | 32.9 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | 92.1 | 116.3 | 142.1 | 21.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 827 | T | 28.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 75.6 | 135 | 136.2 | 38.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 828 | Y | 29.1 | Very low | 32.2 | Very low | 231 Ų | 231 | 132.9 Ų | 132.9 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | 50.7 | 130.7 | 148.8 | -69.4 | -66.3 | 0 | 0 | 0 | 121.9 | ||||
| 829 | G | 27.6 | Very low | 32.3 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 179.7 | 112.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 830 | Y | 28.6 | Very low | 31.4 | Very low | 226 Ų | 226 | 134.1 Ų | 134.1 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | trans | -77.8 | 157.3 | -178.4 | -96.5 | -63.1 | 0 | 0 | 0 | 114.8 | ||||
| 831 | I | 26.6 | Very low | 31.5 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 33 | 122 | 148 | -42.1 | 162.2 | 0 | 0 | 0 | 118.6 | ||||
| 832 | S | 25.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | 170.1 | 150 | 114.9 | -72.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 833 | T | 27.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -74.9 | 167.4 | 158.8 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 834 | P | 32.3 | Very low | 30.6 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | -131.4 | 161.5 | 112.3 | 37.1 | -30.9 | 0 | 0 | 0 | 113.5 | |||||
| 835 | T | 26.4 | Very low | 29.4 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -115.5 | 141.1 | -179.1 | -43.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 836 | A | 29.4 | Very low | 28.5 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 62.9 | 173.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 837 | S | 29.7 | Very low | 28.6 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | cis | -146.4 | 166.8 | 5 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 838 | E | 27.3 | Very low | 28.6 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 59.9 | 139.5 | 153.1 | -62.2 | 145.2 | 153.5 | 0 | 0 | 118.2 | ||||
| 839 | F | 27.5 | Very low | 28.7 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | cis | -147.2 | 171.2 | 48.5 | -118.5 | -92.7 | 0 | 0 | 0 | 114.4 | ||||
| 840 | T | 30.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -64.1 | 168.1 | 173.8 | 52 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 841 | G | 29.5 | Very low | 29.3 | Very low | 61 Ų | 61 | 121.6 Ų | 121.6 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | 154.8 | -173 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 842 | M | 26.4 | Very low | 29.6 | Very low | 169 Ų | 169 | 124 Ų | 124 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | 62 | 154.1 | -177.7 | -79.8 | 69.2 | 171.8 | 0 | 0 | 115.5 | ||||
| 843 | D | 26.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | cis | -143.2 | 141.8 | -20 | -102.1 | -42.9 | 0 | 0 | 0 | 105.3 | ||||
| 844 | R | 30.1 | Very low | 29.7 | Very low | 220 Ų | 220 | 120.1 Ų | 120.1 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | 76.8 | 143.7 | 57.1 | -152.6 | 178.7 | -169 | -172.2 | 4.2 | 114 | |||||
| 845 | T | 30.8 | Very low | 29.7 | Very low | 145 Ų | 145 | 120 Ų | 120 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | 84.8 | 139.9 | -170.7 | 72.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 846 | G | 29.8 | Very low | 30 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | -158.4 | 162.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 847 | G | 29.8 | Very low | 30 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 92% | 0.918 | 77% | 0.77 | S | S | * | * | trans | -77.7 | -170.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 848 | G | 29.1 | Very low | 29.9 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 130.1 | 172.4 | 7.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 849 | V | 31.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 71.2 | 142.4 | 177.3 | -168.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 850 | G | 30.5 | Very low | 32.2 | Very low | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 145.6 | 177.5 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 851 | S | 36.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 66.3 | 163.7 | 171.1 | -57.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 852 | E | 33 | Very low | 32.7 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | cis | -155.6 | 159.5 | 6.8 | -144.2 | 151.2 | -115.7 | 0 | 0 | 109.1 | ||||
| 853 | G | 28.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 125.2 Ų | 125.2 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 168.8 | 162.8 | -9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 854 | G | 28.8 | Very low | 32.8 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 71.4 | 164.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 855 | V | 30.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | -165.3 | 153.6 | -9.3 | 126.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 856 | L | 33.5 | Very low | 33.3 | Very low | 149 Ų | 149 | 120.6 Ų | 120.6 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 79.8 | 134.3 | 162.6 | -86.1 | 163.1 | 0 | 0 | 0 | 124 | ||||
| 857 | L | 30 | Very low | 33.4 | Very low | 141 Ų | 141 | 123 Ų | 123 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 80 | 108 | 149.5 | -64.2 | 170.8 | 0 | 0 | 0 | 124.6 | ||||
| 858 | C | 28 | Very low | 33.9 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 75.9 | 160.1 | 132.4 | -72.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 859 | P | 53.2 | Low | 33.8 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -125.3 | -168.4 | -143 | 47.1 | -36.2 | 0 | 0 | 0 | 115 | ||||
| 860 | P | 48.7 | Very low | 33.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -130.8 | 155.3 | -21.7 | 23.4 | -2.5 | 0 | 0 | 0 | 115.5 | ||||
| 861 | R | 32.3 | Very low | 33.6 | Very low | 243 Ų | 243 | 129.4 Ų | 129.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | 163.5 | 117.9 | 134.2 | -93.7 | 169.6 | -178.8 | -173.1 | 1 | 113.3 | ||||
| 862 | P | 37.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -112.3 | -173.5 | 167.9 | 43.7 | -33.6 | 0 | 0 | 0 | 110.8 | ||||
| 863 | C | 24.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | cis | -141.1 | -179.8 | 19.1 | -85 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 864 | L | 30.8 | Very low | 33.1 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -146.6 | 160.6 | 179.3 | -126 | 175.5 | 0 | 0 | 0 | 110.3 | ||||
| 865 | T | 23.5 | Very low | 33.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 75.5 | -176.3 | 168.2 | 74.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 866 | P | 47.9 | Very low | 33 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | -134.8 | -143.6 | -104.8 | 42.9 | -20.2 | 0 | 0 | 0 | 115.7 | |||||
| 867 | T | 33.5 | Very low | 32.7 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 163.6 | 174.6 | 43.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 868 | P | 40.2 | Very low | 32.6 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | -147.4 | -118.9 | 39.7 | 42.8 | -18.3 | 0 | 0 | 0 | 116.9 | ||||
| 869 | S | 27.2 | Very low | 32.6 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -135.3 | 167.3 | -155.1 | 55.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 870 | E | 29.7 | Very low | 31.5 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | 68.7 | 154 | 170.2 | -59.4 | -162.9 | 134.5 | 0 | 0 | 119.1 | ||||
| 871 | G | 28.3 | Very low | 30.5 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 138.7 | 100.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 872 | S | 28.4 | Very low | 30.4 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -80.8 | 144.8 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 873 | L | 29.1 | Very low | 30 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | 167 | 140 | 118.8 | -89.3 | 169.3 | 0 | 0 | 0 | 116.9 | |||||
| 874 | A | 28.7 | Very low | 30.2 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 60% | 0.595 | 79% | 0.788 | S | S | * | * | trans | 62.7 | 117.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 875 | N | 30 | Very low | 30.2 | Very low | 170 Ų | 170 | 126 Ų | 126 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | 67.5 | 124.2 | 129.6 | -56.3 | -12.1 | 0 | 0 | 0 | 122.4 | |||||
| 876 | G | 27.2 | Very low | 30.5 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 173 | 117.2 | 158 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 877 | W | 27.8 | Very low | 29.5 | Very low | 267 Ų | 267 | 125.3 Ų | 125.3 | 100% | 1.011 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 159.5 | 168.2 | -57.7 | 6.5 | 0 | 0 | 0 | 109.9 | ||||
| 878 | G | 27.5 | Very low | 29.3 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | 158.8 | 171.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 879 | S | 29.4 | Very low | 28.8 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 69.4 | 153.5 | 167.5 | -54.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 880 | A | 29.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -174.3 | 144.5 | -25.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 881 | S | 27.9 | Very low | 28.8 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | 174.7 | 122.5 | 142.3 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 882 | E | 30.4 | Very low | 28.9 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 41.9 | 134.2 | 130.9 | -65.1 | 153.3 | -171 | 0 | 0 | 120.3 | ||||
| 883 | D | 29 | Very low | 29 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | -162.1 | 154.1 | 4.8 | -129.3 | 2 | 0 | 0 | 0 | 114.7 | ||||
| 884 | N | 28.9 | Very low | 28.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | 27.8 | 113.9 | 155.7 | -58.7 | -53.2 | 0 | 0 | 0 | 121 | ||||
| 885 | A | 29.3 | Very low | 29 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | 78.8 | 139 | 70.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 886 | A | 30.6 | Very low | 29 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | cis | -161.9 | 160.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 887 | S | 26.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -158.6 | 155.7 | 142.6 | -166.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 888 | A | 28.8 | Very low | 29.3 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -105.7 | 140.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 889 | R | 30.3 | Very low | 29.5 | Very low | 255 Ų | 255 | 125 Ų | 125 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | -152.2 | 135.3 | 142.6 | -114.1 | 169.1 | -170.9 | -179 | 2.7 | 110.7 | ||||
| 890 | A | 27.9 | Very low | 29.5 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -101.7 | 151.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 891 | S | 29.1 | Very low | 29.6 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -157.1 | 93.7 | 158.9 | -71.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 892 | L | 31.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 161.3 | 179.6 | -109 | 172 | 0 | 0 | 0 | 111.7 | ||
| 893 | V | 29.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 144.9 | -175.5 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 894 | S | 27.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 137.4 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 895 | S | 31.3 | Very low | 30.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -171.7 | 147.4 | 136.7 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 896 | S | 30.3 | Very low | 30.6 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 81% | 0.814 | S | S | * | * | trans | 47.3 | 115.4 | 156.7 | 46.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 897 | D | 31.8 | Very low | 30.7 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | cis | -139.4 | 166 | 29.8 | -73.2 | -44.8 | 0 | 0 | 0 | 113.5 | ||||
| 898 | G | 30.4 | Very low | 31.1 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -120.9 | 133.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 899 | S | 31.4 | Very low | 31.4 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -158.4 | 67.8 | 153.4 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | L901 | S899-L901 PolarHBondContact O-N 2.84Š| ||
| 900 | F | 28 | Very low | 31.6 | Very low | 214 Ų | 214 | 131.1 Ų | 131.1 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -74 | 99.5 | 171 | -90.2 | -91.9 | 0 | 0 | 0 | 110.9 | ||||
| 901 | L | 33.2 | Very low | 32 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -164.6 | 36.2 | 157.6 | -118.2 | 170.2 | 0 | 0 | 0 | 116.1 | S899 | S899-L901 PolarHBondContact O-N 2.84Š| ||
| 902 | A | 29.2 | Very low | 32.4 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -157.7 | 83.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 903 | D | 32.6 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -162.8 | 70.3 | 155.3 | -116 | -27.6 | 0 | 0 | 0 | 114.1 | ||||
| 904 | A | 35.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -112.7 | -0 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 905 | H | 34.2 | Very low | 32.9 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -115.4 | -18.1 | -172.7 | -78.1 | -74.2 | 0 | 0 | 0 | 114.9 | A907 | H905-A907 PolarHBondContact O-N 2.74Š|
| 906 | F | 34.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -68.8 | -34.9 | -178.6 | -143.6 | -94 | 0 | 0 | 0 | 113.1 | R908 A909 | F906-R908 PolarHBondContact O-N 2.78Å; F906-R908 VanDerWaalsContact O-N 3.13Å; F906-A909 PolarHBondContact O-N 3.05Å |
| 907 | A | 33 | Very low | 32.8 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -65.3 | -15.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | H905 | H905-A907 PolarHBondContact O-N 2.74Š|
| 908 | R | 34.3 | Very low | 32.6 | Very low | 215 Ų | 215 | 131 Ų | 131 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -98.8 | -8.8 | -177.9 | -146.5 | 171.7 | -169.6 | 163 | 3.3 | 114.1 | F906 | F906-R908 PolarHBondContact O-N 2.78Å; F906-R908 VanDerWaalsContact O-N 3.13Å |
| 909 | A | 34.6 | Very low | 32.7 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 59% | 0.587 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -27.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F906 A911 | F906-A909 PolarHBondContact O-N 3.05Å; A909-A911 VanDerWaalsContact C-N 3.34Å; A909-A911 PolarHBondContact O-N 3.28Å |
| 910 | L | 34.3 | Very low | 32.5 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 71% | 0.707 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -8.8 | -172 | -140.7 | 121.1 | 0 | 0 | 0 | 114.3 | ||
| 911 | A | 35.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A909 | A909-A911 VanDerWaalsContact C-N 3.34Å; A909-A911 PolarHBondContact O-N 3.28Å |
| 912 | V | 37.5 | Very low | 32.4 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -125.9 | 21.7 | -176.5 | -160.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 913 | A | 33.3 | Very low | 32.9 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -123.2 | 17.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 914 | V | 36 | Very low | 32.7 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -131.7 | 53.9 | 177.5 | -165.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 915 | D | 30 | Very low | 32.4 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -160 | 81.8 | 157 | -154.2 | 1.8 | 0 | 0 | 0 | 112.3 | ||
| 916 | S | 28.8 | Very low | 32.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 174.5 | 57.9 | 161.2 | -82.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 917 | F | 30.5 | Very low | 31.9 | Very low | 220 Ų | 220 | 135 Ų | 135 | 97% | 0.965 | 78% | 0.777 | S | S | * | * | trans | -153.3 | 90.2 | 154.2 | -96.4 | -64.5 | 0 | 0 | 0 | 109.6 | ||||
| 918 | G | 28.1 | Very low | 31.7 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -80.8 | 140.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 919 | F | 31.1 | Very low | 31.3 | Very low | 217 Ų | 217 | 132.1 Ų | 132.1 | 95% | 0.952 | 78% | 0.778 | S | S | * | * | trans | -123.4 | 113.9 | 151.5 | -98.6 | -86.2 | 0 | 0 | 0 | 107.3 | ||||
| 920 | G | 27.5 | Very low | 30.9 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -91 | 144.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 921 | L | 30 | Very low | 30.6 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -127.8 | 127.3 | 154 | -72.4 | 175.3 | 0 | 0 | 0 | 107.7 | ||||
| 922 | E | 29.9 | Very low | 30.2 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -70.8 | 161.4 | 174.2 | -114.6 | -168.5 | 104.9 | 0 | 0 | 110.8 | ||||
| 923 | P | 38.3 | Very low | 29.7 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | -140.3 | 164.3 | 50.5 | 38.4 | -19.3 | 0 | 0 | 0 | 118.4 | |||||
| 924 | R | 28.7 | Very low | 29.4 | Very low | 189 Ų | 189 | 140 Ų | 140 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 8.1 | 150.5 | 140.4 | -71.9 | 171.6 | 165.1 | -115.8 | -2.7 | 119.6 | ||||
| 925 | E | 29.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -161.7 | 167.3 | 30.9 | -145.4 | 145.8 | -130.1 | 0 | 0 | 114.7 | ||||
| 926 | A | 30.1 | Very low | 30 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | 69.4 | 97.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 927 | D | 28.1 | Very low | 30.3 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | 73.8 | 144.8 | 115.4 | -66 | -5.8 | 0 | 0 | 0 | 126.2 | |||||
| 928 | C | 28.5 | Very low | 30.2 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | 88.3 | 128.2 | 155.3 | -75.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 929 | V | 26.1 | Very low | 31.4 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -121.7 | 144.7 | -177.5 | 163.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 930 | F | 27.2 | Very low | 31.3 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | -169.1 | 166.4 | 125.3 | -109.3 | -73.5 | 0 | 0 | 0 | 112.4 | |||||
| 931 | T | 28.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 61% | 0.613 | 77% | 0.773 | S | S | * | * | trans | -102.7 | 170.1 | -164.9 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 932 | D | 25.9 | Very low | 31.3 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | -172 | 167.9 | 107 | -94 | 2.3 | 0 | 0 | 0 | 113 | |||||
| 933 | A | 28.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -139.4 | 162.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 934 | S | 26.7 | Very low | 30.7 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -161 | 155 | 162.1 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 935 | S | 25.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -162.3 | -174.2 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 936 | P | 52.6 | Low | 30.4 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -112.5 | -169.7 | -99.1 | 41.8 | -28 | 0 | 0 | 0 | 113.7 | |||||
| 937 | P | 35.5 | Very low | 31 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -131.3 | 153.9 | 160.4 | 36.4 | -22.1 | 0 | 0 | 0 | 116.3 | ||||
| 938 | S | 28.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -176.9 | 165.9 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 939 | P | 53.3 | Low | 30.9 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | cis | -108.7 | -140.9 | -5.3 | 30.1 | -7.1 | 0 | 0 | 0 | 111.4 | ||||
| 940 | R | 29.3 | Very low | 30.9 | Very low | 220 Ų | 220 | 138.1 Ų | 138.1 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | cis | -148.4 | -173.1 | 45.4 | -83.7 | -140.9 | 156.4 | 107.4 | 9 | 110.4 | ||||
| 941 | D | 30.8 | Very low | 31 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 63% | 0.626 | 79% | 0.785 | S | S | * | * | cis | 155.7 | 114.9 | -32.7 | -75.4 | -32.3 | 0 | 0 | 0 | 106.9 | ||||
| 942 | D | 25.7 | Very low | 31.2 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -170.4 | 167.3 | 134.4 | -124.5 | -30.7 | 0 | 0 | 0 | 112.4 | ||||
| 943 | I | 28.9 | Very low | 31.1 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -129.5 | 144.6 | -156.8 | -58 | 167.9 | 0 | 0 | 0 | 113.2 | ||||
| 944 | F | 27.1 | Very low | 31.2 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | 164 | 158.3 | 124.8 | -93.7 | -67.8 | 0 | 0 | 0 | 116.4 | |||||
| 945 | L | 27.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | 85.9 | 139.7 | 169.4 | -57.3 | -179.8 | 0 | 0 | 0 | 119.5 | ||||
| 946 | T | 24.7 | Very low | 31.1 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -140.9 | -179.9 | 177.8 | 58.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 947 | P | 41.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 158.5 Ų | 158.5 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | cis | -120.8 | 168.9 | -28.9 | 37.5 | -25.7 | 0 | 0 | 0 | 111.9 | ||||
| 948 | N | 26.9 | Very low | 29.6 | Very low | 145 Ų | 145 | 157.2 Ų | 157.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -175.5 | 150.2 | 134.2 | -105.5 | -34 | 0 | 0 | 0 | 115.8 | ||||
| 949 | L | 27.9 | Very low | 29.6 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 26.8 | 110.9 | 147.6 | -65.3 | 163.4 | 0 | 0 | 0 | 119.4 | ||||
| 950 | S | 26.8 | Very low | 28.4 | Very low | 118 Ų | 118 | 165.3 Ų | 165.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -79 | 127.5 | 166.4 | 45.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 951 | L | 28.8 | Very low | 28.4 | Very low | 165 Ų | 165 | 161.7 Ų | 161.7 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -129.4 | 161.9 | 158.7 | -84.1 | 178 | 0 | 0 | 0 | 108.4 | ||||
| 952 | P | 32.5 | Very low | 28.4 | Very low | 101 Ų | 101 | 164.3 Ų | 164.3 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 157.6 | -141.6 | 28.6 | -36.5 | 0 | 0 | 0 | 115.6 | W954 | P952-W954 PolarHBondContact O-N 2.95Š|
| 953 | L | 24.6 | Very low | 28.5 | Very low | 173 Ų | 173 | 163.4 Ų | 163.4 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 135.6 | 168.8 | -95.8 | 69.8 | 0 | 0 | 0 | 111 | ||
| 954 | W | 29.5 | Very low | 28.4 | Very low | 232 Ų | 232 | 166 Ų | 166 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 155 | 159.9 | -91.5 | 51.6 | 0 | 0 | 0 | 110.2 | P952 | P952-W954 PolarHBondContact O-N 2.95Š|
| 955 | E | 25.2 | Very low | 28.6 | Very low | 189 Ų | 189 | 164.8 Ų | 164.8 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 138.1 | -172.4 | -59.6 | 171.2 | 107.4 | 0 | 0 | 112.3 | ||
| 956 | W | 25.4 | Very low | 28.8 | Very low | 241 Ų | 241 | 161.9 Ų | 161.9 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 128.3 | 164.1 | -88.2 | 77.5 | 0 | 0 | 0 | 110.3 | ||
| 957 | R | 24.9 | Very low | 28.9 | Very low | 235 Ų | 235 | 162.1 Ų | 162.1 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -115.7 | 132.3 | 151.1 | -73.7 | -167.4 | -179.9 | -149.9 | 3.4 | 108.4 | ||||
| 958 | P | 33.6 | Very low | 28.3 | Very low | 103 Ų | 103 | 164.5 Ų | 164.5 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 151 | 165.7 | 34.6 | -34 | 0 | 0 | 0 | 110.2 | ||||
| 959 | D | 27.6 | Very low | 28.4 | Very low | 141 Ų | 141 | 162.8 Ų | 162.8 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | 175.8 | 143.2 | 114.9 | -89.8 | -11.4 | 0 | 0 | 0 | 111.4 | |||||
| 960 | W | 28.6 | Very low | 28.5 | Very low | 239 Ų | 239 | 163.3 Ų | 163.3 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | trans | 71 | 145.1 | 177.3 | -64.1 | 27.5 | 0 | 0 | 0 | 114.8 | ||||
| 961 | L | 27.7 | Very low | 28.6 | Very low | 143 Ų | 143 | 166.2 Ų | 166.2 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | cis | -145.7 | 150.7 | 8.7 | -165.5 | 73.4 | 0 | 0 | 0 | 110.9 | ||||
| 962 | E | 30.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 165.8 Ų | 165.8 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -98.2 | 163.7 | 167.3 | -73.7 | 178.2 | 126 | 0 | 0 | 112.3 | ||||
| 963 | D | 28.5 | Very low | 28.4 | Very low | 147 Ų | 147 | 164.5 Ų | 164.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 58.7 | 105.7 | 166.8 | -66.6 | -6.9 | 0 | 0 | 0 | 121.1 | ||||
| 964 | M | 26.7 | Very low | 28.7 | Very low | 188 Ų | 188 | 168.6 Ų | 168.6 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | -153.7 | 138.3 | 115.4 | -98.8 | -138.2 | 75.9 | 0 | 0 | 112.3 | |||||
| 965 | E | 32.3 | Very low | 28.5 | Very low | 164 Ų | 164 | 161.2 Ų | 161.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -97.4 | 151 | -176.1 | -84.1 | -164.7 | 116.9 | 0 | 0 | 114.8 | ||||
| 966 | V | 31 | Very low | 28.6 | Very low | 105 Ų | 105 | 160.4 Ų | 160.4 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | 54.1 | 112.9 | 137.2 | 178.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 967 | N | 26.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | -172 | 132.3 | 110.4 | -106.8 | -54.5 | 0 | 0 | 0 | 118.9 | |||||
| 968 | H | 28.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | 31.4 | 107.6 | 140.2 | -84.8 | -62.2 | 0 | 0 | 0 | 125.5 | ||||
| 969 | T | 28.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | 51.9 | 120 | 119.2 | 55.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 970 | Q | 29.9 | Very low | 30.3 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | 55.3 | 128.5 | 131.5 | -68.4 | -172.7 | -11.8 | 0 | 0 | 122.9 | ||||
| 971 | L | 30 | Very low | 31.1 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -145.3 | 149 | 138.4 | -121.7 | 162.3 | 0 | 0 | 0 | 110.1 | ||||
| 972 | L | 29.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -105.1 | 151.3 | -163.3 | -73.2 | 146.4 | 0 | 0 | 0 | 113.6 | ||||
| 973 | G | 26.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -132.9 | -6.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 974 | R | 30.4 | Very low | 31.1 | Very low | 259 Ų | 259 | 147.8 Ų | 147.8 | 98% | 0.977 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 138.9 | 177.5 | -62.9 | -179.8 | 166.3 | -173.8 | -4.4 | 119.1 | ||||
| 975 | G | 26.2 | Very low | 31.2 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 168.5 | 85.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 976 | M | 27.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -164.9 | 164.3 | -178.8 | -98.1 | -99.7 | -79.4 | 0 | 0 | 107.5 | ||||
| 977 | P | 43.7 | Very low | 30.9 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | cis | -137.2 | -143.9 | 24.7 | 33.3 | -6.6 | 0 | 0 | 0 | 112.7 | ||||
| 978 | P | 49.3 | Very low | 31 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | -127.9 | 178.4 | -77.3 | 37.9 | -22.4 | 0 | 0 | 0 | 114.1 | |||||
| 979 | W | 26.7 | Very low | 31 | Very low | 258 Ų | 258 | 147.5 Ų | 147.5 | 98% | 0.977 | 79% | 0.789 | S | S | * | * | -161.9 | 162.9 | 128.1 | -105.6 | 25 | 0 | 0 | 0 | 110.5 | |||||
| 980 | S | 28.2 | Very low | 31 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -117.5 | 154.2 | -160.5 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 981 | P | 44.1 | Very low | 31.2 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -91.7 | 143.6 | 176.7 | 36.1 | -33.7 | 0 | 0 | 0 | 113.7 | ||||
| 982 | D | 29.2 | Very low | 31.1 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -175.2 | 155 | 161.2 | -112.3 | -28.7 | 0 | 0 | 0 | 108.2 | ||||
| 983 | S | 29.2 | Very low | 30.9 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | cis | -160.9 | 162.6 | -5.3 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 984 | R | 28.9 | Very low | 30.8 | Very low | 212 Ų | 212 | 147.5 Ų | 147.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 45.1 | 123.5 | 138.5 | -67.6 | 173.7 | -175.7 | -162.8 | 2.2 | 123.7 | ||||
| 985 | I | 28.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | 80.6 | 152 | 122.3 | -63 | 172.5 | 0 | 0 | 0 | 120.4 | |||||
| 986 | S | 27 | Very low | 31.7 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 77.2 | 86.7 | 162 | 47.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 987 | S | 29.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | 34.5 | 142.4 | 113.8 | 67.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 988 | Q | 30 | Very low | 32.1 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | 88.2 | 154.2 | 160.2 | -57.2 | -170.8 | 2.1 | 0 | 0 | 118.4 | ||||
| 989 | R | 28.8 | Very low | 31.2 | Very low | 210 Ų | 210 | 145 Ų | 145 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | cis | 179.7 | 93 | -35.5 | -178.6 | -172.1 | -172 | -172.6 | 4 | 109.8 | ||||
| 990 | S | 27.8 | Very low | 31.3 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -161.2 | 139.7 | 159.7 | -37.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 991 | Q | 33 | Very low | 31.3 | Very low | 162 Ų | 162 | 136 Ų | 136 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | cis | 67.4 | 128.2 | 42.5 | -64.3 | -164.5 | -27.2 | 0 | 0 | 113.1 | ||||
| 992 | L | 28.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | cis | -158.2 | 156.7 | 1.6 | -106.3 | 160.3 | 0 | 0 | 0 | 112.2 | ||||
| 993 | H | 25.3 | Very low | 31.7 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | 68.1 | 149.6 | 154.7 | -88.1 | -60.1 | 0 | 0 | 0 | 125.2 | ||||
| 994 | C | 25.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -84.6 | -171.2 | 174.6 | -31.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 995 | P | 43.8 | Very low | 31.9 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -146.6 | 167.6 | 23.7 | 43.1 | -21.6 | 0 | 0 | 0 | 120.3 | ||||
| 996 | V | 32.4 | Very low | 32.2 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | 7.8 | 150.2 | 127.6 | -176.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 997 | P | 48.8 | Very low | 32.6 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | cis | -131.5 | 177.2 | -3.9 | 33.5 | -14.5 | 0 | 0 | 0 | 116.2 | ||||
| 998 | K | 28.4 | Very low | 32.7 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | -178 | 165.8 | 116.5 | -101.4 | 172.4 | -178.1 | 178.1 | 0 | 114.2 | |||||
| 999 | A | 30.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -92.9 | 159 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1000 | G | 28.7 | Very low | 33.1 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -167.9 | 140.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1001 | A | 29.8 | Very low | 33.4 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -63.7 | 161.7 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1002 | S | 31.5 | Very low | 33.5 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | -56.9 | 168.5 | 151.5 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1003 | P | 48.3 | Very low | 33.8 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | cis | -150.8 | -170.6 | 25.3 | 46.2 | -26.1 | 0 | 0 | 0 | 117.9 | ||||
| 1004 | V | 32.7 | Very low | 34.4 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | 80.4 | 140.6 | 148 | 160 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1005 | D | 31.5 | Very low | 35.1 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | trans | 73.9 | 125.2 | 160.2 | -74.7 | -12.8 | 0 | 0 | 0 | 124.1 | ||||
| 1006 | Y | 34.6 | Very low | 34.3 | Very low | 213 Ų | 213 | 134.3 Ų | 134.3 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 35.2 | 100.1 | 149.1 | -67.2 | -87.6 | 0 | 0 | 0 | 120.5 | ||||
| 1007 | S | 34.7 | Very low | 34.5 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 100% | 1.406 | 84% | 0.84 | S | S | * | * | -163.4 | 0 | 101.2 | 8.1 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 1,007 of 1,007 residues in 342.6 ms
(Link to these results)