| 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 | 35.3 | Very low | 35 | Very low | 231 Ų | 231 | 140.5 Ų | 140.5 | 100% | 1.138 | 83% | 0.83 | S | S | * | * | 0 | 106.7 | 0 | -77.7 | -167.7 | 169.5 | 0 | 0 | 107.4 | |||||
| 2 | L | 29.5 | Very low | 35.1 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | 72.2 | 98.7 | 115.7 | -99.3 | 70.4 | 0 | 0 | 0 | 111.4 | |||||
| 3 | A | 30 | Very low | 35.2 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | 63.9 | 126.2 | 79.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 4 | I | 37.4 | Very low | 35.1 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | -177.3 | 115.4 | 86.4 | -82.8 | 157.7 | 0 | 0 | 0 | 106.1 | |||||
| 5 | R | 33.8 | Very low | 35.3 | Very low | 239 Ų | 239 | 137.9 Ų | 137.9 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | 84.9 | 131.6 | 92.1 | -69.1 | -175.1 | 161.1 | -173.2 | -4.7 | 116.3 | |||||
| 6 | G | 32.4 | Very low | 35.4 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 94.2 | 134.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 7 | A | 36.8 | Very low | 36 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | cis | -159 | 147.4 | 4.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 8 | G | 35.1 | Very low | 36 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -82.6 | 148.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 9 | V | 38.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -140.9 | 133.3 | 152 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 10 | L | 37.8 | Very low | 36.4 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -62.8 | 137.8 | -176.5 | -106.3 | 68.6 | 0 | 0 | 0 | 114.5 | ||||
| 11 | L | 38.8 | Very low | 36.4 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 73% | 0.728 | 82% | 0.819 | S | S | * | * | 43.4 | 107.9 | 121.8 | -93.5 | 152.5 | 0 | 0 | 0 | 119.2 | |||||
| 12 | L | 35.5 | Very low | 36.7 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 158.9 | 133 | 99.7 | -88.6 | 160.4 | 0 | 0 | 0 | 113.7 | |||||
| 13 | L | 36.7 | Very low | 37.3 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 73.7 | 120.8 | 142.5 | -79.8 | 152.1 | 0 | 0 | 0 | 121.7 | ||||
| 14 | S | 34.2 | Very low | 38 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | 105.8 | 110 | 135.4 | -60.7 | 0 | 0 | 0 | 0 | 117.6 | V16 | S14-V16 PolarHBondContact O-N 3.06Š| ||
| 15 | C | 37.7 | Very low | 38.1 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 91% | 0.905 | 80% | 0.804 | S | S | * | * | trans | -52.7 | 119.5 | 170.6 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 16 | V | 37.3 | Very low | 38.5 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -102.6 | 113.4 | 158.5 | 173.3 | 0 | 0 | 0 | 0 | 107.4 | S14 | S14-V16 PolarHBondContact O-N 3.06Š| ||
| 17 | R | 44.5 | Very low | 39 | Very low | 237 Ų | 237 | 136.5 Ų | 136.5 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -84 | 116.3 | -178.8 | -173.8 | -179.4 | -170.4 | 179 | 2.3 | 108.3 | ||||
| 18 | L | 35.9 | Very low | 39.2 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -143.9 | 108.5 | 160.7 | -110.1 | 112.9 | 0 | 0 | 0 | 111.9 | ||||
| 19 | M | 40.8 | Very low | 39.8 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | 25.3 | 121.2 | 142 | -52.8 | -166.4 | -165.2 | 0 | 0 | 118.3 | ||||
| 20 | F | 39.4 | Very low | 40.4 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | 176.8 | 115.8 | 97.9 | -92.3 | -74.6 | 0 | 0 | 0 | 107.8 | |||||
| 21 | L | 37.5 | Very low | 41.2 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 174.7 | 122.9 | 143.9 | -92.8 | 156.2 | 0 | 0 | 0 | 110.8 | ||
| 22 | A | 40.7 | Very low | 42.4 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | trans | 70.6 | 136.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 23 | P | 41.8 | Very low | 43.9 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 158.2 | -178 | 32.4 | -34.6 | 0 | 0 | 0 | 111.9 | L25 | P23-L25 PolarHBondContact O-N 2.98Å; P23-L25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | P | 45.1 | Very low | 46.1 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -69.7 | 108.8 | 170.1 | 30.6 | -29.6 | 0 | 0 | 0 | 107.5 | C26 | P24-C26 VanDerWaalsContact C-N 3.28Å; P24-C26 PolarHBondContact O-N 3.39Å | ||
| 25 | L | 39.3 | Very low | 48.5 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -71.8 | 97.2 | 162.9 | -80.3 | 164.4 | 0 | 0 | 0 | 107.1 | P23 A27 | P23-L25 PolarHBondContact O-N 2.98Å; P23-L25 VanDerWaalsContact O-N 3.11Å; L25-A27 PolarHBondContact O-N 3.46Å | ||
| 26 | C | 42 | Very low | 50.7 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | 24.4 | 92.5 | 150.2 | -61 | 0 | 0 | 0 | 0 | 115.8 | P24 G28 | P24-C26 VanDerWaalsContact C-N 3.28Å; P24-C26 PolarHBondContact O-N 3.39Å; C26-G28 PolarHBondContact O-N 3.29Å | ||
| 27 | A | 43.1 | Very low | 52.8 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 88% | 0.876 | 69% | 0.686 | S | S | * | * | trans | -65.9 | 94.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | L25 E29 | L25-A27 PolarHBondContact O-N 3.46Å; A27-E29 PolarHBondContact O-N 3.47Å; A27-E29 VanDerWaalsContact O-N 3.17Å | ||
| 28 | G | 41 | Very low | 54.6 | Low | 56 Ų | 56 | 109.4 Ų | 109.4 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | trans | -69.8 | 102.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | C26 G30 | C26-G28 PolarHBondContact O-N 3.29Å; G28-G30 VanDerWaalsContact C-N 3.27Å; G28-G30 PolarHBondContact O-N 3.15Å | ||
| 29 | E | 48.8 | Very low | 56.9 | Low | 208 Ų | 208 | 103.8 Ų | 103.8 | 97% | 0.972 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 96 | 150.8 | -75.1 | 179.6 | 135.9 | 0 | 0 | 107 | A27 | A27-E29 PolarHBondContact O-N 3.47Å; A27-E29 VanDerWaalsContact O-N 3.17Å |
| 30 | G | 50.9 | Low | 59.1 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.3 | -7.9 | 175 | 0 | 0 | 0 | 0 | 0 | 119.3 | G28 | G28-G30 VanDerWaalsContact C-N 3.27Å; G28-G30 PolarHBondContact O-N 3.15Å |
| 31 | S | 54.3 | Low | 61.4 | Low | 62 Ų | 62 | 97.2 Ų | 97.2 | 43% | 0.434 | 61% | 0.61 | S | S | . | * | trans | -95.9 | 102.3 | 169.1 | 58.9 | 0 | 0 | 0 | 0 | 109 | C33 | S31-C33 PolarHBondContact O-N 3.04Š| ||
| 32 | N | 63.8 | Low | 63.7 | Low | 149 Ų | 149 | 91.8 Ų | 91.8 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | trans | -64.7 | 72.4 | 168.8 | -176.8 | 21.8 | 0 | 0 | 0 | 109.3 | S34 | N32-S34 PolarHBondContact O-N 3.23Š| ||
| 33 | C | 68 | Low | 65.7 | Low | 38 Ų | 38 | 88.8 Ų | 88.8 | 26% | 0.257 | 56% | 0.557 | S | S | . | * | trans | -85.9 | 101.6 | -171.3 | -155.4 | 0 | 0 | 0 | 0 | 109.3 | S31 C35 C42 | S31-C33 PolarHBondContact O-N 3.04Å; C33-C35 VanDerWaalsContact C-N 3.26Å; C33-C35 PolarHBondContact O-N 3.12Å; C33-C35 PolarHBondContact SG-SG 2.9Å; C33-C42 HydrophobicContact CB-CB 3.96Å; C33-C42 WeakPolarHBondContact CB-SG 3.45Å; C33-C42 WeakPolarHBondContact SG-CB 3.39Å; C33-C42 CovalentContact SG-SG 2Å; C33-C42 PolarHBondContact SG-SG 3.46Å | ||
| 34 | S | 82.2 | Confident | 67.5 | Low | 74 Ų | 74 | 91.8 Ų | 91.8 | 52% | 0.517 | 57% | 0.567 | S | S | . | * | trans | -89.4 | 16.9 | -175.4 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | N32 | N32-S34 PolarHBondContact O-N 3.23Š| ||
| 35 | C | 83.7 | Confident | 69.2 | Low | 17 Ų | 17 | 94.8 Ų | 94.8 | 12% | 0.115 | 57% | 0.569 | C | S | . | * | S | Bend | trans | -69.1 | 158.2 | -178.7 | -45.3 | 0 | 0 | 0 | 0 | 111.9 | C33 A37 S40 C48 | C33-C35 VanDerWaalsContact C-N 3.26Å; C33-C35 PolarHBondContact O-N 3.12Å; C33-C35 PolarHBondContact SG-SG 2.9Å; C35-A37 PolarHBondContact O-N 2.66Å; C35-A37 VanDerWaalsContact O-N 3.09Å; C35-S40 WeakPolarHBondContact CB-OG 3.27Å; C35-C48 VanDerWaalsContact CA-SG 3.5Å; C35-C48 HydrophobicContact CB-CB 3.74Å; C35-C48 WeakPolarHBondContact CB-SG 3.37Å; C35-C48 WeakPolarHBondContact SG-CA 3.44Å; C35-C48 WeakPolarHBondContact SG-CB 3.21Å; C35-C48 CovalentContact SG-SG 1.99Å; C35-C48 PolarHBondContact SG-SG 3.37Å |
| 36 | N | 84.4 | Confident | 71 | Confident | 49 Ų | 49 | 88.2 Ų | 88.2 | 26% | 0.262 | 54% | 0.54 | S | S | . | . | trans | -65 | 112.8 | 172.7 | -172.1 | -28.7 | 0 | 0 | 0 | 110.9 | T38 N39 S40 L58 | N36-T38 PolarHBondContact O-N 2.93Å; N36-T38 PolarHBondContact OD1-N 2.63Å; N36-T38 PolarHBondContact OD1-OG1 3.23Å; N36-N39 PolarHBondContact ND2-ND2 3.06Å; N36-N39 PolarHBondContact O-N 3.36Å; N36-S40 PolarHBondContact O-N 2.8Å; N36-S40 PolarHBondContact O-OG 3.08Å; N36-L58 WeakPolarHBondContact CB-O 3.3Å; N36-L58 PolarHBondContact N-O 2.81Å | ||
| 37 | A | 80.9 | Confident | 73 | Confident | 98 Ų | 98 | 87 Ų | 87 | 81% | 0.81 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C35 | C35-A37 PolarHBondContact O-N 2.66Å; C35-A37 VanDerWaalsContact O-N 3.09Å |
| 38 | T | 83.1 | Confident | 75.2 | Confident | 108 Ų | 108 | 83 Ų | 83 | 66% | 0.663 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -21.8 | -178.9 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | N36 | N36-T38 PolarHBondContact O-N 2.93Å; N36-T38 PolarHBondContact OD1-N 2.63Å; N36-T38 PolarHBondContact OD1-OG1 3.23Å |
| 39 | N | 84.2 | Confident | 77.5 | Confident | 27 Ų | 27 | 87.9 Ų | 87.9 | 14% | 0.144 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.1 | 16.4 | -166.1 | -57.9 | -34.5 | 0 | 0 | 0 | 113.1 | N36 D51 W54 | N36-N39 PolarHBondContact ND2-ND2 3.06Å; N36-N39 PolarHBondContact O-N 3.36Å; N39-D51 WeakPolarHBondContact CA-OD2 3.23Å; N39-D51 WeakPolarHBondContact O-CB 3.42Å; N39-D51 PolarHBondContact O-N 3.26Å; N39-W54 HydrophobicContact CB-CB 4.48Å; N39-W54 HydrophobicContact CB-CD2 3.68Å; N39-W54 HydrophobicContact CB-CE3 4.27Å; N39-W54 HydrophobicContact CB-CG 3.74Å; N39-W54 HydrophobicContact CB-CZ2 4.39Å; N39-W54 VanDerWaalsContact CG-CZ2 3.47Å; N39-W54 VanDerWaalsContact ND2-CE2 3.28Å; N39-W54 WeakPolarHBondContact ND2-CH2 3.42Å; N39-W54 WeakPolarHBondContact ND2-CZ2 3.27Å; N39-W54 WeakPolarHBondContact ND2-CZ3 3.41Å |
| 40 | S | 86.4 | Confident | 79.6 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 11% | 0.112 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 164.8 | -177.3 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | C35 N36 R49 D51 C59 | C35-S40 WeakPolarHBondContact CB-OG 3.27Å; N36-S40 PolarHBondContact O-N 2.8Å; N36-S40 PolarHBondContact O-OG 3.08Å; S40-R49 CarbonylContact C-O 3.57Å; S40-R49 VanDerWaalsContact CA-O 3.3Å; S40-R49 WeakPolarHBondContact CA-O 3.41Å; S40-R49 WeakPolarHBondContact CB-O 3.34Å; S40-D51 PolarHBondContact N-OD2 3.4Å; S40-C59 VanDerWaalsContact CB-SG 3.54Å |
| 41 | R | 87.9 | Confident | 81.6 | Confident | 186 Ų | 186 | 78.8 Ų | 78.8 | 70% | 0.702 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.8 | 171.5 | -58.5 | 179.9 | -174.1 | -128 | -1.9 | 109.3 | R49 | R41-R49 PolarHBondContact N-O 3.48Å; R41-R49 PolarHBondContact O-N 2.86Å |
| 42 | C | 85.5 | Confident | 83.4 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 43% | 0.426 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 137.2 | 174 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | C33 | C33-C42 HydrophobicContact CB-CB 3.96Å; C33-C42 WeakPolarHBondContact CB-SG 3.45Å; C33-C42 WeakPolarHBondContact SG-CB 3.39Å; C33-C42 CovalentContact SG-SG 2Å; C33-C42 PolarHBondContact SG-SG 3.46Å |
| 43 | D | 82.6 | Confident | 84.7 | Confident | 27 Ų | 27 | 74.5 Ų | 74.5 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | trans | -88.2 | 175 | 164.6 | 70.1 | 18.4 | 0 | 0 | 0 | 112.4 | F45 G46 V47 R49 | D43-F45 PolarHBondContact O-N 3.28Å; D43-F45 PolarHBondContact OD1-N 3.15Å; D43-G46 PolarHBondContact O-N 3.4Å; D43-G46 PolarHBondContact OD1-N 3.36Å; D43-V47 PolarHBondContact N-O 2.98Å; D43-V47 VanDerWaalsContact N-O 3.09Å; D43-V47 WeakPolarHBondContact OD1-CB 2.97Å; D43-V47 PolarHBondContact OD1-N 3.35Å; D43-R49 IonicContact OD2-CZ 3.28Å; D43-R49 IonicContact OD2-NE 3.67Å; D43-R49 PolarHBondContact OD2-NE 2.99Å; D43-R49 IonicContact OD2-NH2 3.35Å; D43-R49 PolarHBondContact OD2-NH2 2.04Å | ||
| 44 | D | 79.7 | Confident | 86 | Confident | 166 Ų | 166 | 74.8 Ų | 74.8 | 89% | 0.888 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.2 | -173.8 | -56.6 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 45 | F | 81.6 | Confident | 86.5 | Confident | 186 Ų | 186 | 74 Ų | 74 | 82% | 0.816 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.4 | 176.7 | -58.1 | -74.7 | 0 | 0 | 0 | 113.1 | D43 | D43-F45 PolarHBondContact O-N 3.28Å; D43-F45 PolarHBondContact OD1-N 3.15Å |
| 46 | G | 75.9 | Confident | 86.8 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 26% | 0.258 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 78.3 | 16.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D43 | D43-G46 PolarHBondContact O-N 3.4Å; D43-G46 PolarHBondContact OD1-N 3.36Å |
| 47 | V | 85 | Confident | 87 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 53% | 0.527 | 44% | 0.435 | S | S | . | . | trans | -89.1 | 136.3 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | D43 R49 | D43-V47 PolarHBondContact N-O 2.98Å; D43-V47 VanDerWaalsContact N-O 3.09Å; D43-V47 WeakPolarHBondContact OD1-CB 2.97Å; D43-V47 PolarHBondContact OD1-N 3.35Å; V47-R49 PolarHBondContact O-N 3.3Å | ||
| 48 | C | 88.2 | Confident | 87.4 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.4 | 179.2 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | C35 E57 | C35-C48 VanDerWaalsContact CA-SG 3.5Å; C35-C48 HydrophobicContact CB-CB 3.74Å; C35-C48 WeakPolarHBondContact CB-SG 3.37Å; C35-C48 WeakPolarHBondContact SG-CA 3.44Å; C35-C48 WeakPolarHBondContact SG-CB 3.21Å; C35-C48 CovalentContact SG-SG 1.99Å; C35-C48 PolarHBondContact SG-SG 3.37Å; C48-E57 VanDerWaalsContact CB-O 3.26Å; C48-E57 WeakPolarHBondContact CB-O 3.42Å; C48-E57 PolarHBondContact SG-O 2.95Å |
| 49 | R | 90.6 | Very high | 87.8 | Confident | 159 Ų | 159 | 73.3 Ų | 73.3 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113.8 | 166.6 | -62.3 | -171.8 | -173.2 | 176.3 | 5.8 | 108.9 | S40 R41 D43 V47 | S40-R49 CarbonylContact C-O 3.57Å; S40-R49 VanDerWaalsContact CA-O 3.3Å; S40-R49 WeakPolarHBondContact CA-O 3.41Å; S40-R49 WeakPolarHBondContact CB-O 3.34Å; R41-R49 PolarHBondContact N-O 3.48Å; R41-R49 PolarHBondContact O-N 2.86Å; D43-R49 IonicContact OD2-CZ 3.28Å; D43-R49 IonicContact OD2-NE 3.67Å; D43-R49 PolarHBondContact OD2-NE 2.99Å; D43-R49 IonicContact OD2-NH2 3.35Å; D43-R49 PolarHBondContact OD2-NH2 2.04Å; V47-R49 PolarHBondContact O-N 3.3Å |
| 50 | C | 92.2 | Very high | 88.1 | Confident | 46 Ų | 46 | 77.7 Ų | 77.7 | 31% | 0.311 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 142 | -174.3 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | W54 C59 | C50-W54 HydrophobicContact CB-CB 4.02Å; C50-W54 WeakPolarHBondContact CB-O 3.02Å; C50-C59 WeakPolarHBondContact CA-SG 3.34Å; C50-C59 HydrophobicContact CB-CB 3.62Å; C50-C59 WeakPolarHBondContact CB-SG 3.03Å; C50-C59 PolarHBondContact N-SG 3.01Å; C50-C59 WeakPolarHBondContact SG-CA 3.19Å; C50-C59 WeakPolarHBondContact SG-CB 3.33Å; C50-C59 CovalentContact SG-SG 2.03Å; C50-C59 PolarHBondContact SG-SG 3.49Å |
| 51 | D | 92.5 | Very high | 88.4 | Confident | 50 Ų | 50 | 83.8 Ų | 83.8 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 156.6 | 170.6 | -71 | -36.4 | 0 | 0 | 0 | 110.6 | N39 S40 G53 W54 | N39-D51 WeakPolarHBondContact CA-OD2 3.23Å; N39-D51 WeakPolarHBondContact O-CB 3.42Å; N39-D51 PolarHBondContact O-N 3.26Å; S40-D51 PolarHBondContact N-OD2 3.4Å; D51-G53 PolarHBondContact O-N 2.61Å; D51-G53 VanDerWaalsContact O-N 3.12Å; D51-W54 PolarHBondContact O-N 3.07Å |
| 52 | P | 93.3 | Very high | 88.7 | Confident | 114 Ų | 114 | 76 Ų | 76 | 74% | 0.74 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 121 | -176.5 | -28.1 | 35.6 | 0 | 0 | 0 | 113.2 | ||
| 53 | G | 91.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 74.9 Ų | 74.9 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 11.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D51 V63 P76 | D51-G53 PolarHBondContact O-N 2.61Å; D51-G53 VanDerWaalsContact O-N 3.12Å; G53-V63 PolarHBondContact O-N 2.75Å; G53-P76 WeakPolarHBondContact O-CB 3.47Å; G53-P76 WeakPolarHBondContact O-CG 3.43Å |
| 54 | W | 93.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 16% | 0.163 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146 | 168 | -64.2 | 92.6 | 0 | 0 | 0 | 111 | N39 C50 D51 R61 C62 P76 | N39-W54 HydrophobicContact CB-CB 4.48Å; N39-W54 HydrophobicContact CB-CD2 3.68Å; N39-W54 HydrophobicContact CB-CE3 4.27Å; N39-W54 HydrophobicContact CB-CG 3.74Å; N39-W54 HydrophobicContact CB-CZ2 4.39Å; N39-W54 VanDerWaalsContact CG-CZ2 3.47Å; N39-W54 VanDerWaalsContact ND2-CE2 3.28Å; N39-W54 WeakPolarHBondContact ND2-CH2 3.42Å; N39-W54 WeakPolarHBondContact ND2-CZ2 3.27Å; N39-W54 WeakPolarHBondContact ND2-CZ3 3.41Å; C50-W54 HydrophobicContact CB-CB 4.02Å; C50-W54 WeakPolarHBondContact CB-O 3.02Å; D51-W54 PolarHBondContact O-N 3.07Å; W54-R61 CarbonylContact C-O 3.48Å; W54-R61 WeakPolarHBondContact CA-O 3.48Å; W54-C62 HydrophobicContact CE3-CB 4.38Å; W54-C62 HydrophobicContact CZ3-CB 4.22Å; W54-P76 HydrophobicContact CD2-CG 4.16Å; W54-P76 VanDerWaalsContact CE2-CG 3.44Å; W54-P76 HydrophobicContact CG-CG 4.39Å; W54-P76 HydrophobicContact CZ2-CG 3.74Å; W54-P76 VanDerWaalsContact NE1-CG 3.32Å |
| 55 | D | 92.8 | Very high | 90.4 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 177.5 | 177.6 | 83 | 29.9 | 0 | 0 | 0 | 113.1 | C59 Q60 R61 V63 | D55-C59 CarbonylContact O-C 3.51Å; D55-C59 WeakPolarHBondContact O-CA 3.2Å; D55-Q60 PolarHBondContact O-N 3.32Å; D55-R61 PolarHBondContact N-O 2.02Å; D55-R61 PolarHBondContact O-N 3.22Å; D55-R61 WeakPolarHBondContact OD1-CB 3.44Å; D55-R61 IonicContact OD1-CZ 3.9Å; D55-R61 IonicContact OD1-NE 3.53Å; D55-R61 PolarHBondContact OD1-NE 2.84Å; D55-R61 IonicContact OD1-NH1 3.17Å; D55-R61 PolarHBondContact OD1-NH1 3.41Å; D55-R61 IonicContact OD1-NH2 2.94Å; D55-V63 HydrophobicContact CB-CG2 3.74Å |
| 56 | G | 89.7 | Confident | 91 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 91.5 | 163.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L58 C59 | G56-L58 PolarHBondContact O-N 2.83Å; G56-L58 VanDerWaalsContact O-N 3.1Å; G56-C59 PolarHBondContact O-N 3.47Å |
| 57 | E | 89.2 | Confident | 91.8 | Very high | 180 Ų | 180 | 67.9 Ų | 67.9 | 84% | 0.841 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.3 | -171.8 | -64.5 | -180 | 170.8 | 0 | 0 | 113.4 | C48 | C48-E57 VanDerWaalsContact CB-O 3.26Å; C48-E57 WeakPolarHBondContact CB-O 3.42Å; C48-E57 PolarHBondContact SG-O 2.95Å |
| 58 | L | 89.7 | Confident | 92.3 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 11 | 177.7 | -55 | -179.9 | 0 | 0 | 0 | 113.4 | N36 G56 Q60 | N36-L58 WeakPolarHBondContact CB-O 3.3Å; N36-L58 PolarHBondContact N-O 2.81Å; G56-L58 PolarHBondContact O-N 2.83Å; G56-L58 VanDerWaalsContact O-N 3.1Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.44Å |
| 59 | C | 91 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 56.2 | 38.5 | 179.7 | -52 | 0 | 0 | 0 | 0 | 114.4 | S40 C50 D55 G56 | S40-C59 VanDerWaalsContact CB-SG 3.54Å; C50-C59 WeakPolarHBondContact CA-SG 3.34Å; C50-C59 HydrophobicContact CB-CB 3.62Å; C50-C59 WeakPolarHBondContact CB-SG 3.03Å; C50-C59 PolarHBondContact N-SG 3.01Å; C50-C59 WeakPolarHBondContact SG-CA 3.19Å; C50-C59 WeakPolarHBondContact SG-CB 3.33Å; C50-C59 CovalentContact SG-SG 2.03Å; C50-C59 PolarHBondContact SG-SG 3.49Å; D55-C59 CarbonylContact O-C 3.51Å; D55-C59 WeakPolarHBondContact O-CA 3.2Å; G56-C59 PolarHBondContact O-N 3.47Å |
| 60 | Q | 90.6 | Very high | 92.7 | Very high | 118 Ų | 118 | 63.3 Ų | 63.3 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | trans | -103 | -11.7 | -175.1 | 66.7 | -161 | 6.5 | 0 | 0 | 113.2 | D55 L58 | D55-Q60 PolarHBondContact O-N 3.32Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.44Å | ||
| 61 | R | 92.5 | Very high | 92.7 | Very high | 145 Ų | 145 | 62 Ų | 62 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.8 | 178.6 | -69.7 | -174.7 | -71 | 146 | -11.2 | 108.3 | W54 D55 | W54-R61 CarbonylContact C-O 3.48Å; W54-R61 WeakPolarHBondContact CA-O 3.48Å; D55-R61 PolarHBondContact N-O 2.02Å; D55-R61 PolarHBondContact O-N 3.22Å; D55-R61 WeakPolarHBondContact OD1-CB 3.44Å; D55-R61 IonicContact OD1-CZ 3.9Å; D55-R61 IonicContact OD1-NE 3.53Å; D55-R61 PolarHBondContact OD1-NE 2.84Å; D55-R61 IonicContact OD1-NH1 3.17Å; D55-R61 PolarHBondContact OD1-NH1 3.41Å; D55-R61 IonicContact OD1-NH2 2.94Å |
| 62 | C | 94.5 | Very high | 92.8 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 14% | 0.142 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 149 | 170.4 | 52 | 0 | 0 | 0 | 0 | 109.6 | W54 C73 | W54-C62 HydrophobicContact CE3-CB 4.38Å; W54-C62 HydrophobicContact CZ3-CB 4.22Å; C62-C73 HydrophobicContact CB-CB 4.08Å; C62-C73 WeakPolarHBondContact CB-SG 3.49Å; C62-C73 PolarHBondContact O-SG 2.9Å; C62-C73 WeakPolarHBondContact SG-CB 3.03Å; C62-C73 PolarHBondContact SG-O 3.5Å; C62-C73 CovalentContact SG-SG 2.03Å; C62-C73 PolarHBondContact SG-SG 3.07Å |
| 63 | V | 95.3 | Very high | 92.8 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 125.4 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | G53 D55 W77 | G53-V63 PolarHBondContact O-N 2.75Å; D55-V63 HydrophobicContact CB-CG2 3.74Å; V63-W77 HydrophobicContact CB-CZ3 4.46Å; V63-W77 HydrophobicContact CG1-CE3 4.48Å; V63-W77 HydrophobicContact CG1-CH2 4.28Å; V63-W77 HydrophobicContact CG1-CZ3 3.87Å; V63-W77 PolarHBondContact O-N 3.27Å |
| 64 | T | 95.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 161.6 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | C73 Q78 | T64-C73 HydrophobicContact CG2-CB 3.89Å; T64-Q78 WeakPolarHBondContact CA-O 3Å |
| 65 | M | 94.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 133.9 | 174.1 | -167.5 | 172.4 | -69.2 | 0 | 0 | 110.4 | G67 C68 W77 Q78 C79 R88 F89 | M65-G67 PolarHBondContact O-N 2.76Å; M65-C68 WeakPolarHBondContact O-CB 3.48Å; M65-C68 PolarHBondContact O-N 3.36Å; M65-W77 WeakPolarHBondContact CE-O 3.36Å; M65-Q78 PolarHBondContact N-O 3.35Å; M65-C79 HydrophobicContact CB-CB 4.19Å; M65-R88 HydrophobicContact SD-CG 3.98Å; M65-F89 HydrophobicContact CG-CD1 4.31Å; M65-F89 HydrophobicContact CG-CE1 3.91Å; M65-F89 HydrophobicContact SD-CD1 4.15Å; M65-F89 HydrophobicContact SD-CE1 3.61Å; M65-F89 HydrophobicContact SD-CZ 4.45Å |
| 66 | P | 94 | Very high | 92.7 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 62% | 0.623 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 126.6 | 178.4 | -26.8 | 34.6 | 0 | 0 | 0 | 111.3 | W77 F89 | P66-W77 HydrophobicContact CG-CZ3 4.2Å; P66-F89 WeakPolarHBondContact O-CD1 3.38Å; P66-F89 WeakPolarHBondContact O-CE1 3.01Å |
| 67 | G | 92.3 | Very high | 92.8 | Very high | 55 Ų | 55 | 71.2 Ų | 71.2 | 57% | 0.567 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -1.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | M65 V69 | M65-G67 PolarHBondContact O-N 2.76Å; G67-V69 VanDerWaalsContact O-CG2 3.3Å; G67-V69 WeakPolarHBondContact O-CG2 3.34Å; G67-V69 PolarHBondContact O-N 3.07Å |
| 68 | C | 94.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 67 Ų | 67 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | trans | -60.3 | 115.1 | 172.3 | -170.6 | 0 | 0 | 0 | 0 | 110.8 | M65 C79 F89 | M65-C68 WeakPolarHBondContact O-CB 3.48Å; M65-C68 PolarHBondContact O-N 3.36Å; C68-C79 VanDerWaalsContact CA-SG 3.52Å; C68-C79 HydrophobicContact CB-CB 3.76Å; C68-C79 WeakPolarHBondContact CB-SG 3.21Å; C68-C79 WeakPolarHBondContact SG-CB 3.5Å; C68-C79 CovalentContact SG-SG 2.03Å; C68-C79 PolarHBondContact SG-SG 2.91Å; C68-F89 WeakPolarHBondContact CA-O 3.44Å | ||
| 69 | V | 95.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -97.5 | -59.7 | -176 | -168.1 | 0 | 0 | 0 | 0 | 111.3 | G67 F89 D91 | G67-V69 VanDerWaalsContact O-CG2 3.3Å; G67-V69 WeakPolarHBondContact O-CG2 3.34Å; G67-V69 PolarHBondContact O-N 3.07Å; V69-F89 PolarHBondContact N-O 3.01Å; V69-D91 HydrophobicContact CG2-CB 4.43Å |
| 70 | H | 92.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 67.4 Ų | 67.4 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -115 | 54.9 | -176.3 | -55.1 | 100 | 0 | 0 | 0 | 111.8 | Q82 W85 C90 | H70-Q82 WeakPolarHBondContact O-CG 3.42Å; H70-Q82 PolarHBondContact O-N 3.24Å; H70-W85 HydrophobicContact CB-CB 4.02Å; H70-W85 HydrophobicContact CB-CD2 3.65Å; H70-W85 HydrophobicContact CB-CE3 4.3Å; H70-W85 HydrophobicContact CB-CG 3.46Å; H70-W85 VanDerWaalsContact CB-CG 3.46Å; H70-W85 AromaticContact CD2-CE2 3.8Å; H70-W85 AromaticContact CD2-CZ2 3.94Å; H70-W85 AromaticContact CD2-NE1 3.93Å; H70-W85 AromaticContact CE1-CE2 3.7Å; H70-W85 AromaticContact CE1-CE3 3.94Å; H70-W85 AromaticContact CE1-CH2 3.22Å; H70-W85 WeakPolarHBondContact CE1-CH2 3.17Å; H70-W85 AromaticContact CE1-CZ2 3.3Å; H70-W85 WeakPolarHBondContact CE1-CZ2 3.42Å; H70-W85 AromaticContact CE1-CZ3 3.55Å; H70-W85 AromaticContact CG-CD1 4Å; H70-W85 AromaticContact CG-CD2 3.52Å; H70-W85 AromaticContact CG-CE2 3.44Å; H70-W85 VanDerWaalsContact CG-CE2 3.44Å; H70-W85 AromaticContact CG-CE3 3.97Å; H70-W85 AromaticContact CG-CG 3.9Å; H70-W85 AromaticContact CG-CZ2 3.87Å; H70-W85 AromaticContact CG-NE1 3.71Å; H70-W85 AromaticContact ND1-CD2 3.32Å; H70-W85 VanDerWaalsContact ND1-CD2 3.32Å; H70-W85 AromaticContact ND1-CE2 3.4Å; H70-W85 AromaticContact ND1-CE3 3.28Å; H70-W85 VanDerWaalsContact ND1-CE3 3.28Å; H70-W85 AromaticContact ND1-CH2 3.47Å; H70-W85 WeakPolarHBondContact ND1-CH2 3.43Å; H70-W85 AromaticContact ND1-CZ2 3.48Å; H70-W85 WeakPolarHBondContact ND1-CZ2 3.38Å; H70-W85 AromaticContact ND1-CZ3 3.36Å; H70-W85 WeakPolarHBondContact ND1-CZ3 2.99Å; H70-W85 AromaticContact NE2-CE2 3.97Å; H70-W85 AromaticContact NE2-CH2 3.96Å; H70-W85 AromaticContact NE2-CZ2 3.61Å; H70-C90 HydrophobicContact CB-CB 4.36Å; H70-C90 PolarHBondContact N-O 3.29Å; H70-C90 PolarHBondContact ND1-O 3.17Å; H70-C90 WeakPolarHBondContact O-CB 3.49Å |
| 71 | G | 91.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 164.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A80 | G71-A80 CarbonylContact C-O 3.59Å; G71-A80 WeakPolarHBondContact CA-O 3.41Å |
| 72 | S | 94.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 49% | 0.49 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 175.5 | 176.3 | 62.7 | 0 | 0 | 0 | 0 | 110.6 | A80 | S72-A80 PolarHBondContact N-O 3.04Å; S72-A80 WeakPolarHBondContact O-CB 2.99Å; S72-A80 PolarHBondContact O-N 2.74Å |
| 73 | C | 94.4 | Very high | 93 | Very high | 20 Ų | 20 | 67.5 Ų | 67.5 | 14% | 0.135 | 40% | 0.396 | C | S | . | . | trans | -127.8 | 149.7 | 177.7 | 58 | 0 | 0 | 0 | 0 | 111 | C62 T64 Q75 Q78 | C62-C73 HydrophobicContact CB-CB 4.08Å; C62-C73 WeakPolarHBondContact CB-SG 3.49Å; C62-C73 PolarHBondContact O-SG 2.9Å; C62-C73 WeakPolarHBondContact SG-CB 3.03Å; C62-C73 PolarHBondContact SG-O 3.5Å; C62-C73 CovalentContact SG-SG 2.03Å; C62-C73 PolarHBondContact SG-SG 3.07Å; T64-C73 HydrophobicContact CG2-CB 3.89Å; C73-Q75 WeakPolarHBondContact CB-O 3.28Å; C73-Q78 HydrophobicContact CB-CB 4.21Å | ||
| 74 | L | 90.6 | Very high | 92.1 | Very high | 141 Ų | 141 | 67 Ų | 67 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -109.6 | -21.4 | 165.6 | -65.8 | 176.8 | 0 | 0 | 0 | 111.5 | ||
| 75 | Q | 90.9 | Very high | 91.7 | Very high | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -132.3 | 155.1 | 170.4 | -63.8 | -66.6 | -53.6 | 0 | 0 | 109.4 | C73 Q78 | C73-Q75 WeakPolarHBondContact CB-O 3.28Å; Q75-Q78 HydrophobicContact CB-CG 4.3Å; Q75-Q78 WeakPolarHBondContact O-CB 3.47Å; Q75-Q78 PolarHBondContact O-N 2.96Å |
| 76 | P | 92.6 | Very high | 91.2 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 143.5 | 177.5 | -29.1 | 36.3 | 0 | 0 | 0 | 113.1 | G53 W54 Q78 | G53-P76 WeakPolarHBondContact O-CB 3.47Å; G53-P76 WeakPolarHBondContact O-CG 3.43Å; W54-P76 HydrophobicContact CD2-CG 4.16Å; W54-P76 VanDerWaalsContact CE2-CG 3.44Å; W54-P76 HydrophobicContact CG-CG 4.39Å; W54-P76 HydrophobicContact CZ2-CG 3.74Å; W54-P76 VanDerWaalsContact NE1-CG 3.32Å; P76-Q78 PolarHBondContact O-N 3.04Å |
| 77 | W | 93.4 | Very high | 90.9 | Very high | 120 Ų | 120 | 63 Ų | 63 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 20.2 | 174.2 | -43.4 | 113.6 | 0 | 0 | 0 | 114.7 | V63 M65 P66 | V63-W77 HydrophobicContact CB-CZ3 4.46Å; V63-W77 HydrophobicContact CG1-CE3 4.48Å; V63-W77 HydrophobicContact CG1-CH2 4.28Å; V63-W77 HydrophobicContact CG1-CZ3 3.87Å; V63-W77 PolarHBondContact O-N 3.27Å; M65-W77 WeakPolarHBondContact CE-O 3.36Å; P66-W77 HydrophobicContact CG-CZ3 4.2Å |
| 78 | Q | 93.8 | Very high | 90.7 | Very high | 90 Ų | 90 | 69.4 Ų | 69.4 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | trans | -97.2 | 158.8 | 169.4 | -64.4 | -178.5 | -9.7 | 0 | 0 | 111.1 | T64 M65 C73 Q75 P76 | T64-Q78 WeakPolarHBondContact CA-O 3Å; M65-Q78 PolarHBondContact N-O 3.35Å; C73-Q78 HydrophobicContact CB-CB 4.21Å; Q75-Q78 HydrophobicContact CB-CG 4.3Å; Q75-Q78 WeakPolarHBondContact O-CB 3.47Å; Q75-Q78 PolarHBondContact O-N 2.96Å; P76-Q78 PolarHBondContact O-N 3.04Å | ||
| 79 | C | 95.1 | Very high | 90.6 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 14% | 0.142 | 39% | 0.393 | C | S | . | . | trans | -140.2 | 88.1 | 170 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | M65 C68 C90 | M65-C79 HydrophobicContact CB-CB 4.19Å; C68-C79 VanDerWaalsContact CA-SG 3.52Å; C68-C79 HydrophobicContact CB-CB 3.76Å; C68-C79 WeakPolarHBondContact CB-SG 3.21Å; C68-C79 WeakPolarHBondContact SG-CB 3.5Å; C68-C79 CovalentContact SG-SG 2.03Å; C68-C79 PolarHBondContact SG-SG 2.91Å; C79-C90 PolarHBondContact SG-SG 3.2Å | ||
| 80 | A | 93.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | G71 S72 | G71-A80 CarbonylContact C-O 3.59Å; G71-A80 WeakPolarHBondContact CA-O 3.41Å; S72-A80 PolarHBondContact N-O 3.04Å; S72-A80 WeakPolarHBondContact O-CB 2.99Å; S72-A80 PolarHBondContact O-N 2.74Å |
| 81 | C | 92.8 | Very high | 90.4 | Very high | 49 Ų | 49 | 68.7 Ų | 68.7 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 142.5 | -172.2 | -55.4 | 0 | 0 | 0 | 0 | 112.7 | W85 C90 | C81-W85 HydrophobicContact CB-CB 4.23Å; C81-W85 WeakPolarHBondContact CB-O 3.43Å; C81-C90 WeakPolarHBondContact CA-SG 3.5Å; C81-C90 HydrophobicContact CB-CB 3.73Å; C81-C90 WeakPolarHBondContact CB-SG 3.02Å; C81-C90 PolarHBondContact N-SG 3.42Å; C81-C90 VanDerWaalsContact N-SG 3.37Å; C81-C90 WeakPolarHBondContact SG-CA 3.42Å; C81-C90 WeakPolarHBondContact SG-CB 3.48Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 3.07Å |
| 82 | Q | 90.1 | Very high | 90 | Very high | 102 Ų | 102 | 74 Ų | 74 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 154.9 | 165.3 | -65.8 | 174.1 | -3 | 0 | 0 | 110 | H70 G84 W85 | H70-Q82 WeakPolarHBondContact O-CG 3.42Å; H70-Q82 PolarHBondContact O-N 3.24Å; Q82-G84 PolarHBondContact O-N 3.12Å; Q82-W85 PolarHBondContact O-N 3.37Å; Q82-W85 VanDerWaalsContact O-N 3.09Å |
| 83 | P | 84.3 | Confident | 89.5 | Confident | 134 Ų | 134 | 74 Ų | 74 | 87% | 0.87 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 136.4 | 174.6 | -25.7 | 34.6 | 0 | 0 | 0 | 111.8 | W85 | P83-W85 VanDerWaalsContact C-N 3.33Š|
| 84 | G | 77.8 | Confident | 88.8 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 33% | 0.33 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q82 L94 S95 | Q82-G84 PolarHBondContact O-N 3.12Å; G84-L94 CarbonylContact O-C 3.6Å; G84-L94 WeakPolarHBondContact O-CA 3.49Å; G84-L94 PolarHBondContact O-N 2.79Å; G84-S95 PolarHBondContact O-N 2.86Å |
| 85 | W | 86.9 | Confident | 88.3 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 26% | 0.261 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 150.4 | 175.4 | -66.9 | 91.6 | 0 | 0 | 0 | 112.1 | H70 C81 Q82 P83 C90 K92 D93 | H70-W85 HydrophobicContact CB-CB 4.02Å; H70-W85 HydrophobicContact CB-CD2 3.65Å; H70-W85 HydrophobicContact CB-CE3 4.3Å; H70-W85 HydrophobicContact CB-CG 3.46Å; H70-W85 VanDerWaalsContact CB-CG 3.46Å; H70-W85 AromaticContact CD2-CE2 3.8Å; H70-W85 AromaticContact CD2-CZ2 3.94Å; H70-W85 AromaticContact CD2-NE1 3.93Å; H70-W85 AromaticContact CE1-CE2 3.7Å; H70-W85 AromaticContact CE1-CE3 3.94Å; H70-W85 AromaticContact CE1-CH2 3.22Å; H70-W85 WeakPolarHBondContact CE1-CH2 3.17Å; H70-W85 AromaticContact CE1-CZ2 3.3Å; H70-W85 WeakPolarHBondContact CE1-CZ2 3.42Å; H70-W85 AromaticContact CE1-CZ3 3.55Å; H70-W85 AromaticContact CG-CD1 4Å; H70-W85 AromaticContact CG-CD2 3.52Å; H70-W85 AromaticContact CG-CE2 3.44Å; H70-W85 VanDerWaalsContact CG-CE2 3.44Å; H70-W85 AromaticContact CG-CE3 3.97Å; H70-W85 AromaticContact CG-CG 3.9Å; H70-W85 AromaticContact CG-CZ2 3.87Å; H70-W85 AromaticContact CG-NE1 3.71Å; H70-W85 AromaticContact ND1-CD2 3.32Å; H70-W85 VanDerWaalsContact ND1-CD2 3.32Å; H70-W85 AromaticContact ND1-CE2 3.4Å; H70-W85 AromaticContact ND1-CE3 3.28Å; H70-W85 VanDerWaalsContact ND1-CE3 3.28Å; H70-W85 AromaticContact ND1-CH2 3.47Å; H70-W85 WeakPolarHBondContact ND1-CH2 3.43Å; H70-W85 AromaticContact ND1-CZ2 3.48Å; H70-W85 WeakPolarHBondContact ND1-CZ2 3.38Å; H70-W85 AromaticContact ND1-CZ3 3.36Å; H70-W85 WeakPolarHBondContact ND1-CZ3 2.99Å; H70-W85 AromaticContact NE2-CE2 3.97Å; H70-W85 AromaticContact NE2-CH2 3.96Å; H70-W85 AromaticContact NE2-CZ2 3.61Å; C81-W85 HydrophobicContact CB-CB 4.23Å; C81-W85 WeakPolarHBondContact CB-O 3.43Å; Q82-W85 PolarHBondContact O-N 3.37Å; Q82-W85 VanDerWaalsContact O-N 3.09Å; P83-W85 VanDerWaalsContact C-N 3.33Å; W85-C90 HydrophobicContact CB-CB 4.27Å; W85-K92 CarbonylContact C-O 3.4Å; W85-K92 WeakPolarHBondContact CA-O 3.44Å; W85-D93 HydrophobicContact CE3-CB 4.36Å; W85-D93 HydrophobicContact CH2-CB 4.06Å; W85-D93 HydrophobicContact CZ3-CB 3.88Å |
| 86 | G | 83.8 | Confident | 88 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 7% | 0.072 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -173.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | C90 D91 K92 | G86-C90 CarbonylContact O-C 3.58Å; G86-C90 VanDerWaalsContact O-CA 3.32Å; G86-C90 WeakPolarHBondContact O-CA 3.01Å; G86-D91 PolarHBondContact O-N 2.93Å; G86-K92 PolarHBondContact N-O 3.32Å; G86-K92 WeakPolarHBondContact O-CB 3.45Å; G86-K92 PolarHBondContact O-N 2.86Å |
| 87 | G | 86.8 | Confident | 87.7 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 169 | -165.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F89 C90 | G87-F89 PolarHBondContact O-N 2.03Å; G87-C90 PolarHBondContact O-N 2.9Å |
| 88 | R | 88.5 | Confident | 87.3 | Confident | 191 Ų | 191 | 66.7 Ų | 66.7 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.7 | -176.9 | -177.5 | -179.8 | -68.5 | -176.1 | -1.1 | 112.5 | M65 | M65-R88 HydrophobicContact SD-CG 3.98Š|
| 89 | F | 93.3 | Very high | 87 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 9.8 | -176.8 | -56.2 | -66.9 | 0 | 0 | 0 | 112.7 | M65 P66 C68 V69 G87 D91 | M65-F89 HydrophobicContact CG-CD1 4.31Å; M65-F89 HydrophobicContact CG-CE1 3.91Å; M65-F89 HydrophobicContact SD-CD1 4.15Å; M65-F89 HydrophobicContact SD-CE1 3.61Å; M65-F89 HydrophobicContact SD-CZ 4.45Å; P66-F89 WeakPolarHBondContact O-CD1 3.38Å; P66-F89 WeakPolarHBondContact O-CE1 3.01Å; C68-F89 WeakPolarHBondContact CA-O 3.44Å; V69-F89 PolarHBondContact N-O 3.01Å; G87-F89 PolarHBondContact O-N 2.03Å; F89-D91 HydrophobicContact CB-CB 4.29Å; F89-D91 PolarHBondContact O-N 3.35Å |
| 90 | C | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.5 | -175.5 | -49.3 | 0 | 0 | 0 | 0 | 112.4 | H70 C79 C81 W85 G86 G87 | H70-C90 HydrophobicContact CB-CB 4.36Å; H70-C90 PolarHBondContact N-O 3.29Å; H70-C90 PolarHBondContact ND1-O 3.17Å; H70-C90 WeakPolarHBondContact O-CB 3.49Å; C79-C90 PolarHBondContact SG-SG 3.2Å; C81-C90 WeakPolarHBondContact CA-SG 3.5Å; C81-C90 HydrophobicContact CB-CB 3.73Å; C81-C90 WeakPolarHBondContact CB-SG 3.02Å; C81-C90 PolarHBondContact N-SG 3.42Å; C81-C90 VanDerWaalsContact N-SG 3.37Å; C81-C90 WeakPolarHBondContact SG-CA 3.42Å; C81-C90 WeakPolarHBondContact SG-CB 3.48Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 3.07Å; W85-C90 HydrophobicContact CB-CB 4.27Å; G86-C90 CarbonylContact O-C 3.58Å; G86-C90 VanDerWaalsContact O-CA 3.32Å; G86-C90 WeakPolarHBondContact O-CA 3.01Å; G87-C90 PolarHBondContact O-N 2.9Å |
| 91 | D | 90.6 | Very high | 86.6 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | trans | -101.8 | -12.7 | -176.2 | 61.5 | -43.9 | 0 | 0 | 0 | 112.2 | V69 G86 F89 | V69-D91 HydrophobicContact CG2-CB 4.43Å; G86-D91 PolarHBondContact O-N 2.93Å; F89-D91 HydrophobicContact CB-CB 4.29Å; F89-D91 PolarHBondContact O-N 3.35Å | ||
| 92 | K | 84.5 | Confident | 86.7 | Confident | 129 Ų | 129 | 74 Ų | 74 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.6 | 174.8 | -59 | -174.5 | 177.3 | -175.1 | 0 | 109.9 | W85 G86 L94 | W85-K92 CarbonylContact C-O 3.4Å; W85-K92 WeakPolarHBondContact CA-O 3.44Å; G86-K92 PolarHBondContact N-O 3.32Å; G86-K92 WeakPolarHBondContact O-CB 3.45Å; G86-K92 PolarHBondContact O-N 2.86Å; K92-L94 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact O-N 3.17Å |
| 93 | D | 82.4 | Confident | 86.9 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 108.5 | 169.5 | -169.6 | -40.6 | 0 | 0 | 0 | 108.5 | W85 S95 S98 | W85-D93 HydrophobicContact CE3-CB 4.36Å; W85-D93 HydrophobicContact CH2-CB 4.06Å; W85-D93 HydrophobicContact CZ3-CB 3.88Å; D93-S95 VanDerWaalsContact C-N 3.35Å; D93-S95 WeakPolarHBondContact OD1-CA 3.35Å; D93-S95 WeakPolarHBondContact OD1-CB 3.17Å; D93-S95 PolarHBondContact OD1-N 2.03Å; D93-S95 PolarHBondContact OD1-OG 2.03Å; D93-S98 PolarHBondContact OD1-OG 3.34Å; D93-S98 PolarHBondContact OD2-OG 3.49Å |
| 94 | L | 80.1 | Confident | 87.4 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 56% | 0.555 | 36% | 0.364 | S | S | * | . | trans | -95.8 | 10.9 | 174.7 | -65.4 | -174.1 | 0 | 0 | 0 | 111.7 | G84 K92 | G84-L94 CarbonylContact O-C 3.6Å; G84-L94 WeakPolarHBondContact O-CA 3.49Å; G84-L94 PolarHBondContact O-N 2.79Å; K92-L94 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact O-N 3.17Å | ||
| 95 | S | 80.4 | Confident | 88 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | trans | -62 | 145 | 175 | 75.9 | 0 | 0 | 0 | 0 | 110 | G84 D93 C97 S98 | G84-S95 PolarHBondContact O-N 2.86Å; D93-S95 VanDerWaalsContact C-N 3.35Å; D93-S95 WeakPolarHBondContact OD1-CA 3.35Å; D93-S95 WeakPolarHBondContact OD1-CB 3.17Å; D93-S95 PolarHBondContact OD1-N 2.03Å; D93-S95 PolarHBondContact OD1-OG 2.03Å; S95-C97 PolarHBondContact O-N 2.85Å; S95-S98 WeakPolarHBondContact O-CB 3.04Å; S95-S98 PolarHBondContact O-N 3.21Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-S98 PolarHBondContact OG-N 3.26Å; S95-S98 PolarHBondContact OG-OG 3.48Å | ||
| 96 | V | 84.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -61 | -31.1 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | S98 Q99 P101 M110 F116 | V96-S98 VanDerWaalsContact C-N 3.35Å; V96-S98 PolarHBondContact O-N 2.77Å; V96-Q99 WeakPolarHBondContact O-CB 3.22Å; V96-Q99 PolarHBondContact O-N 2.81Å; V96-P101 HydrophobicContact CG1-CG 4.33Å; V96-P101 VanDerWaalsContact O-CD 3.23Å; V96-P101 WeakPolarHBondContact O-CD 3.06Å; V96-P101 WeakPolarHBondContact O-CG 3.39Å; V96-M110 HydrophobicContact CB-SD 4.48Å; V96-F116 HydrophobicContact CB-CB 4.49Å; V96-F116 HydrophobicContact CB-CD1 4.19Å; V96-F116 HydrophobicContact CB-CG 4.45Å; V96-F116 HydrophobicContact CG1-CD1 3.49Å; V96-F116 VanDerWaalsContact CG1-CD1 3.49Å; V96-F116 HydrophobicContact CG1-CE1 3.75Å; V96-F116 HydrophobicContact CG1-CG 4Å; V96-F116 HydrophobicContact CG1-CZ 4.46Å |
| 97 | C | 87.4 | Confident | 89 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -65.3 | -30.3 | 177.4 | -69.5 | 0 | 0 | 0 | 0 | 114.4 | S95 Q99 Q100 C108 M110 | S95-C97 PolarHBondContact O-N 2.85Å; C97-Q99 PolarHBondContact O-N 2.04Å; C97-Q100 PolarHBondContact O-N 2.95Å; C97-C108 WeakPolarHBondContact CA-SG 3.32Å; C97-C108 HydrophobicContact CB-CB 3.7Å; C97-C108 WeakPolarHBondContact CB-SG 3.02Å; C97-C108 WeakPolarHBondContact SG-CB 3.31Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.22Å; C97-M110 HydrophobicContact CB-SD 4.33Å; C97-M110 VanDerWaalsContact SG-SD 3.66Å |
| 98 | S | 85 | Confident | 89.3 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.2 | 176 | -71.2 | 0 | 0 | 0 | 0 | 113.4 | D93 S95 V96 Q100 | D93-S98 PolarHBondContact OD1-OG 3.34Å; D93-S98 PolarHBondContact OD2-OG 3.49Å; S95-S98 WeakPolarHBondContact O-CB 3.04Å; S95-S98 PolarHBondContact O-N 3.21Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-S98 PolarHBondContact OG-N 3.26Å; S95-S98 PolarHBondContact OG-OG 3.48Å; V96-S98 VanDerWaalsContact C-N 3.35Å; V96-S98 PolarHBondContact O-N 2.77Å; S98-Q100 PolarHBondContact O-N 3.44Å |
| 99 | Q | 86.8 | Confident | 89.4 | Confident | 155 Ų | 155 | 66.1 Ų | 66.1 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -80.4 | 2 | 173.9 | -55.3 | -178.8 | 17.6 | 0 | 0 | 113 | V96 C97 | V96-Q99 WeakPolarHBondContact O-CB 3.22Å; V96-Q99 PolarHBondContact O-N 2.81Å; C97-Q99 PolarHBondContact O-N 2.04Å |
| 100 | Q | 88.7 | Confident | 89 | Confident | 162 Ų | 162 | 66.7 Ų | 66.7 | 76% | 0.757 | 37% | 0.374 | S | S | * | . | trans | 51.7 | 52.1 | -177.9 | -57.7 | 178.8 | -11.5 | 0 | 0 | 113.6 | C97 S98 C102 | C97-Q100 PolarHBondContact O-N 2.95Å; S98-Q100 PolarHBondContact O-N 3.44Å; Q100-C102 VanDerWaalsContact C-N 3.26Å; Q100-C102 PolarHBondContact O-N 3.48Å | ||
| 101 | P | 92.6 | Very high | 88.7 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 19% | 0.188 | 39% | 0.391 | C | S | . | . | trans | -70.2 | -24.2 | -177.3 | 31.3 | -37.5 | 0 | 0 | 0 | 112.8 | V96 F116 T128 | V96-P101 HydrophobicContact CG1-CG 4.33Å; V96-P101 VanDerWaalsContact O-CD 3.23Å; V96-P101 WeakPolarHBondContact O-CD 3.06Å; V96-P101 WeakPolarHBondContact O-CG 3.39Å; P101-F116 HydrophobicContact CB-CD2 4.43Å; P101-F116 HydrophobicContact CB-CE2 3.66Å; P101-F116 HydrophobicContact CB-CZ 3.81Å; P101-F116 HydrophobicContact CG-CD2 3.81Å; P101-F116 HydrophobicContact CG-CE2 3.53Å; P101-F116 HydrophobicContact CG-CZ 4.05Å; P101-T128 WeakPolarHBondContact O-CB 3Å | ||
| 102 | C | 95.3 | Very high | 88.1 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 10% | 0.101 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -83.9 | 119.7 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | Q100 A106 C108 C118 | Q100-C102 VanDerWaalsContact C-N 3.26Å; Q100-C102 PolarHBondContact O-N 3.48Å; C102-A106 HydrophobicContact CB-CB 3.81Å; C102-C108 HydrophobicContact CB-CB 4.34Å; C102-C108 VanDerWaalsContact SG-CA 3.6Å; C102-C108 WeakPolarHBondContact SG-CB 3.46Å; C102-C108 VanDerWaalsContact SG-SG 3.66Å; C102-C118 WeakPolarHBondContact CA-SG 3.33Å; C102-C118 HydrophobicContact CB-CB 3.76Å; C102-C118 WeakPolarHBondContact CB-SG 3.28Å; C102-C118 VanDerWaalsContact SG-CA 3.52Å; C102-C118 WeakPolarHBondContact SG-CB 3.27Å; C102-C118 CovalentContact SG-SG 2.02Å; C102-C118 PolarHBondContact SG-SG 2.75Å |
| 103 | L | 94.3 | Very high | 87.8 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 38% | 0.382 | 42% | 0.42 | S | S | . | . | trans | -96 | 171.9 | -175.2 | -58.3 | -177.7 | 0 | 0 | 0 | 112.5 | G105 A106 T128 R130 | L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.27Å; L103-A106 WeakPolarHBondContact O-CB 3.42Å; L103-A106 PolarHBondContact O-N 2.89Å; L103-T128 PolarHBondContact N-O 2.95Å; L103-R130 HydrophobicContact CD1-CB 3.88Å; L103-R130 HydrophobicContact CD1-CG 3.79Å | ||
| 104 | N | 93.6 | Very high | 87.3 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 34.9 | 173.1 | -58.3 | -56.4 | 0 | 0 | 0 | 114.5 | A106 F124 C129 | N104-A106 VanDerWaalsContact C-N 3.33Å; N104-F124 HydrophobicContact CB-CD1 3.8Å; N104-F124 HydrophobicContact CB-CD2 3.97Å; N104-F124 HydrophobicContact CB-CE1 3.66Å; N104-F124 HydrophobicContact CB-CE2 3.83Å; N104-F124 HydrophobicContact CB-CG 3.95Å; N104-F124 HydrophobicContact CB-CZ 3.66Å; N104-F124 WeakPolarHBondContact ND2-CD1 3.33Å; N104-F124 WeakPolarHBondContact ND2-CE1 3.45Å; N104-C129 PolarHBondContact ND2-O 3.06Å |
| 105 | G | 91.5 | Very high | 87.4 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 74% | 0.742 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L103 | L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.27Å |
| 106 | A | 95.5 | Very high | 87.8 | Confident | 16 Ų | 16 | 73.2 Ų | 73.2 | 13% | 0.132 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 146.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | C102 L103 N104 C118 L119 C129 | C102-A106 HydrophobicContact CB-CB 3.81Å; L103-A106 WeakPolarHBondContact O-CB 3.42Å; L103-A106 PolarHBondContact O-N 2.89Å; N104-A106 VanDerWaalsContact C-N 3.33Å; A106-C118 HydrophobicContact CB-CB 4.42Å; A106-L119 WeakPolarHBondContact CA-O 3.28Å; A106-L119 WeakPolarHBondContact CB-O 3.46Å; A106-C129 HydrophobicContact CB-CB 3.74Å; A106-C129 WeakPolarHBondContact CB-SG 3.47Å |
| 107 | T | 95.1 | Very high | 88.2 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 50% | 0.497 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.8 | 177.2 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | L109 C118 L119 | T107-L109 HydrophobicContact CG2-CD2 4.31Å; T107-C118 WeakPolarHBondContact O-CA 3.19Å; T107-L119 PolarHBondContact N-O 3.09Å; T107-L119 VanDerWaalsContact N-O 3.16Å; T107-L119 PolarHBondContact O-N 3.18Å |
| 108 | C | 93.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 76.5 Ų | 76.5 | 22% | 0.223 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.6 | 176 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | C97 C102 | C97-C108 WeakPolarHBondContact CA-SG 3.32Å; C97-C108 HydrophobicContact CB-CB 3.7Å; C97-C108 WeakPolarHBondContact CB-SG 3.02Å; C97-C108 WeakPolarHBondContact SG-CB 3.31Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.22Å; C102-C108 HydrophobicContact CB-CB 4.34Å; C102-C108 VanDerWaalsContact SG-CA 3.6Å; C102-C108 WeakPolarHBondContact SG-CB 3.46Å; C102-C108 VanDerWaalsContact SG-SG 3.66Å |
| 109 | L | 90.5 | Very high | 89.1 | Confident | 58 Ų | 58 | 77.6 Ų | 77.6 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.4 | 175.4 | -61.2 | 177.8 | 0 | 0 | 0 | 109.2 | T107 F116 R117 L119 | T107-L109 HydrophobicContact CG2-CD2 4.31Å; L109-F116 CarbonylContact O-C 3.19Å; L109-F116 WeakPolarHBondContact O-CA 3.46Å; L109-R117 HydrophobicContact CB-CG 4.16Å; L109-R117 PolarHBondContact N-O 2.82Å; L109-R117 PolarHBondContact O-N 2.88Å; L109-L119 HydrophobicContact CD1-CD1 3.61Å; L109-L119 HydrophobicContact CD1-CD2 4.19Å; L109-L119 HydrophobicContact CD1-CG 3.76Å; L109-L119 HydrophobicContact CG-CD1 4.36Å; L109-L119 HydrophobicContact CG-CG 4.36Å |
| 110 | M | 84.6 | Confident | 89.5 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 142.5 | 169.4 | -63.7 | -63.6 | -60.8 | 0 | 0 | 109.5 | V96 C97 F116 | V96-M110 HydrophobicContact CB-SD 4.48Å; C97-M110 HydrophobicContact CB-SD 4.33Å; C97-M110 VanDerWaalsContact SG-SD 3.66Å; M110-F116 HydrophobicContact SD-CB 4.29Å |
| 111 | E | 85.3 | Confident | 89.8 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | trans | -103.6 | 158.7 | 170.9 | -60.6 | -157.5 | 154.3 | 0 | 0 | 110.9 | S113 G114 D115 R117 | E111-S113 PolarHBondContact O-N 3.36Å; E111-S113 VanDerWaalsContact O-N 3.08Å; E111-G114 PolarHBondContact O-N 3.46Å; E111-D115 PolarHBondContact N-O 3.16Å; E111-R117 WeakPolarHBondContact OE1-CD 3.37Å; E111-R117 IonicContact OE1-CZ 3.16Å; E111-R117 IonicContact OE1-NH1 3.33Å; E111-R117 PolarHBondContact OE1-NH1 2.8Å | ||
| 112 | D | 78.4 | Confident | 89.7 | Confident | 181 Ų | 181 | 72.6 Ų | 72.6 | 97% | 0.968 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.4 | -177.4 | -57.8 | -39.5 | 0 | 0 | 0 | 113.1 | G114 | D112-G114 PolarHBondContact O-N 3.49Š|
| 113 | S | 79.1 | Confident | 89.3 | Confident | 92 Ų | 92 | 73.6 Ų | 73.6 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.4 | 174.4 | 58 | 0 | 0 | 0 | 0 | 113.9 | E111 D115 | E111-S113 PolarHBondContact O-N 3.36Å; E111-S113 VanDerWaalsContact O-N 3.08Å; S113-D115 VanDerWaalsContact C-N 3.3Å; S113-D115 WeakPolarHBondContact OG-CB 3.2Å; S113-D115 PolarHBondContact OG-N 3.14Å |
| 114 | G | 72.1 | Confident | 89 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 83.7 | 2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E111 D112 | E111-G114 PolarHBondContact O-N 3.46Å; D112-G114 PolarHBondContact O-N 3.49Å |
| 115 | D | 82.3 | Confident | 88.8 | Confident | 95 Ų | 95 | 70.1 Ų | 70.1 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | trans | -83.8 | 170.8 | 170.1 | -158.4 | 4.4 | 0 | 0 | 0 | 111.3 | E111 S113 | E111-D115 PolarHBondContact N-O 3.16Å; S113-D115 VanDerWaalsContact C-N 3.3Å; S113-D115 WeakPolarHBondContact OG-CB 3.2Å; S113-D115 PolarHBondContact OG-N 3.14Å | ||
| 116 | F | 88.8 | Confident | 88.6 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.7 | 177.5 | 79.4 | -74.4 | 0 | 0 | 0 | 111.8 | V96 P101 L109 M110 T128 | V96-F116 HydrophobicContact CB-CB 4.49Å; V96-F116 HydrophobicContact CB-CD1 4.19Å; V96-F116 HydrophobicContact CB-CG 4.45Å; V96-F116 HydrophobicContact CG1-CD1 3.49Å; V96-F116 VanDerWaalsContact CG1-CD1 3.49Å; V96-F116 HydrophobicContact CG1-CE1 3.75Å; V96-F116 HydrophobicContact CG1-CG 4Å; V96-F116 HydrophobicContact CG1-CZ 4.46Å; P101-F116 HydrophobicContact CB-CD2 4.43Å; P101-F116 HydrophobicContact CB-CE2 3.66Å; P101-F116 HydrophobicContact CB-CZ 3.81Å; P101-F116 HydrophobicContact CG-CD2 3.81Å; P101-F116 HydrophobicContact CG-CE2 3.53Å; P101-F116 HydrophobicContact CG-CZ 4.05Å; L109-F116 CarbonylContact O-C 3.19Å; L109-F116 WeakPolarHBondContact O-CA 3.46Å; M110-F116 HydrophobicContact SD-CB 4.29Å; F116-T128 HydrophobicContact CZ-CG2 4.5Å |
| 117 | R | 92.6 | Very high | 88.4 | Confident | 126 Ų | 126 | 72.7 Ų | 72.7 | 48% | 0.475 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.9 | 167.9 | 70.7 | 169.1 | -163.1 | -112.4 | 2.4 | 112 | L109 E111 | L109-R117 HydrophobicContact CB-CG 4.16Å; L109-R117 PolarHBondContact N-O 2.82Å; L109-R117 PolarHBondContact O-N 2.88Å; E111-R117 WeakPolarHBondContact OE1-CD 3.37Å; E111-R117 IonicContact OE1-CZ 3.16Å; E111-R117 IonicContact OE1-NH1 3.33Å; E111-R117 PolarHBondContact OE1-NH1 2.8Å |
| 118 | C | 96.2 | Very high | 88.4 | Confident | 18 Ų | 18 | 71 Ų | 71 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.7 | 175.3 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | C102 A106 T107 C120 P127 C129 | C102-C118 WeakPolarHBondContact CA-SG 3.33Å; C102-C118 HydrophobicContact CB-CB 3.76Å; C102-C118 WeakPolarHBondContact CB-SG 3.28Å; C102-C118 VanDerWaalsContact SG-CA 3.52Å; C102-C118 WeakPolarHBondContact SG-CB 3.27Å; C102-C118 CovalentContact SG-SG 2.02Å; C102-C118 PolarHBondContact SG-SG 2.75Å; A106-C118 HydrophobicContact CB-CB 4.42Å; T107-C118 WeakPolarHBondContact O-CA 3.19Å; C118-C120 PolarHBondContact O-N 3.44Å; C118-P127 WeakPolarHBondContact CB-O 3.45Å; C118-P127 PolarHBondContact SG-O 3Å; C118-C129 WeakPolarHBondContact CB-SG 3.43Å |
| 119 | L | 95.5 | Very high | 88.4 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 45% | 0.445 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 104.9 | 164.8 | -60.3 | -175.5 | 0 | 0 | 0 | 108.7 | A106 T107 L109 | A106-L119 WeakPolarHBondContact CA-O 3.28Å; A106-L119 WeakPolarHBondContact CB-O 3.46Å; T107-L119 PolarHBondContact N-O 3.09Å; T107-L119 VanDerWaalsContact N-O 3.16Å; T107-L119 PolarHBondContact O-N 3.18Å; L109-L119 HydrophobicContact CD1-CD1 3.61Å; L109-L119 HydrophobicContact CD1-CD2 4.19Å; L109-L119 HydrophobicContact CD1-CG 3.76Å; L109-L119 HydrophobicContact CG-CD1 4.36Å; L109-L119 HydrophobicContact CG-CG 4.36Å |
| 120 | C | 95.2 | Very high | 88.4 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 30% | 0.297 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 133.1 | -177.5 | -56.3 | 0 | 0 | 0 | 0 | 112 | C118 F124 G126 C129 | C118-C120 PolarHBondContact O-N 3.44Å; C120-F124 HydrophobicContact CB-CB 4.33Å; C120-F124 VanDerWaalsContact CB-O 3.29Å; C120-F124 WeakPolarHBondContact CB-O 3.5Å; C120-G126 PolarHBondContact SG-O 2.96Å; C120-C129 WeakPolarHBondContact CA-SG 3.27Å; C120-C129 HydrophobicContact CB-CB 3.76Å; C120-C129 WeakPolarHBondContact CB-SG 3.21Å; C120-C129 WeakPolarHBondContact SG-CA 3.36Å; C120-C129 WeakPolarHBondContact SG-CB 3.3Å; C120-C129 CovalentContact SG-SG 2.03Å; C120-C129 PolarHBondContact SG-SG 2.76Å |
| 121 | P | 94.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 78 Ų | 78 | 29% | 0.292 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 164.9 | 168.4 | -22 | 35 | 0 | 0 | 0 | 111.6 | G123 F124 | P121-G123 PolarHBondContact O-N 3.23Å; P121-F124 PolarHBondContact O-N 2.92Å; P121-F124 VanDerWaalsContact O-N 3.11Å |
| 122 | D | 90.4 | Very high | 88.5 | Confident | 152 Ų | 152 | 82 Ų | 82 | 81% | 0.813 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 136.4 | 175.8 | -77.7 | -32.7 | 0 | 0 | 0 | 111.6 | ||
| 123 | G | 86.4 | Confident | 88.8 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -1.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | P121 R132 K133 | P121-G123 PolarHBondContact O-N 3.23Å; G123-R132 CarbonylContact O-C 3.52Å; G123-R132 VanDerWaalsContact O-CA 3.28Å; G123-R132 WeakPolarHBondContact O-CA 3.31Å; G123-K133 PolarHBondContact O-N 3.16Å |
| 124 | F | 88.9 | Confident | 88.9 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 11% | 0.114 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.4 | 175.6 | -63.8 | -84.7 | 0 | 0 | 0 | 113.1 | N104 C120 P121 C129 K131 R132 K133 | N104-F124 HydrophobicContact CB-CD1 3.8Å; N104-F124 HydrophobicContact CB-CD2 3.97Å; N104-F124 HydrophobicContact CB-CE1 3.66Å; N104-F124 HydrophobicContact CB-CE2 3.83Å; N104-F124 HydrophobicContact CB-CG 3.95Å; N104-F124 HydrophobicContact CB-CZ 3.66Å; N104-F124 WeakPolarHBondContact ND2-CD1 3.33Å; N104-F124 WeakPolarHBondContact ND2-CE1 3.45Å; C120-F124 HydrophobicContact CB-CB 4.33Å; C120-F124 VanDerWaalsContact CB-O 3.29Å; C120-F124 WeakPolarHBondContact CB-O 3.5Å; P121-F124 PolarHBondContact O-N 2.92Å; P121-F124 VanDerWaalsContact O-N 3.11Å; F124-C129 HydrophobicContact CB-CB 4.27Å; F124-C129 WeakPolarHBondContact CD1-O 3.37Å; F124-K131 CarbonylContact C-O 3.52Å; F124-K131 VanDerWaalsContact CA-O 3.27Å; F124-K131 WeakPolarHBondContact CA-O 3.39Å; F124-R132 HydrophobicContact CD1-CG 4.01Å; F124-R132 HydrophobicContact CE1-CG 3.59Å; F124-R132 HydrophobicContact CZ-CG 4.34Å; F124-K133 WeakPolarHBondContact O-CE 3.28Å |
| 125 | H | 88.2 | Confident | 89.4 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 178.6 | 178.9 | 78.7 | 105.2 | 0 | 0 | 0 | 112.5 | C129 K131 R132 K133 L137 | H125-C129 WeakPolarHBondContact O-CA 3.43Å; H125-K131 PolarHBondContact CD2-O 3.21Å; H125-K131 PolarHBondContact N-O 3.24Å; H125-K131 VanDerWaalsContact NE2-CB 3.3Å; H125-K131 WeakPolarHBondContact NE2-CB 3.4Å; H125-K131 PolarHBondContact O-N 3.13Å; H125-R132 PolarHBondContact CD2-O 3.36Å; H125-R132 PolarHBondContact NE2-O 3.39Å; H125-K133 HydrophobicContact CB-CG 3.97Å; H125-L137 WeakPolarHBondContact CE1-CD1 3.05Å; H125-L137 WeakPolarHBondContact NE2-CD1 3.45Å |
| 126 | G | 89.1 | Confident | 89.6 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 32% | 0.32 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 91 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C120 T128 C129 | C120-G126 PolarHBondContact SG-O 2.96Å; G126-T128 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.17Å; G126-C129 PolarHBondContact O-N 3.13Å |
| 127 | P | 91.4 | Very high | 89.2 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -31.9 | -169.9 | 23.9 | -33.8 | 0 | 0 | 0 | 113.3 | C118 | C118-P127 WeakPolarHBondContact CB-O 3.45Å; C118-P127 PolarHBondContact SG-O 3Å |
| 128 | T | 93.3 | Very high | 88.5 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 10.4 | -179.8 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | P101 L103 F116 G126 R130 | P101-T128 WeakPolarHBondContact O-CB 3Å; L103-T128 PolarHBondContact N-O 2.95Å; F116-T128 HydrophobicContact CZ-CG2 4.5Å; G126-T128 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.17Å; T128-R130 PolarHBondContact O-N 3.28Å |
| 129 | C | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | S | Bend | trans | 55.8 | 22.5 | -176.9 | -47.8 | 0 | 0 | 0 | 0 | 114.6 | N104 A106 C118 C120 F124 H125 G126 | N104-C129 PolarHBondContact ND2-O 3.06Å; A106-C129 HydrophobicContact CB-CB 3.74Å; A106-C129 WeakPolarHBondContact CB-SG 3.47Å; C118-C129 WeakPolarHBondContact CB-SG 3.43Å; C120-C129 WeakPolarHBondContact CA-SG 3.27Å; C120-C129 HydrophobicContact CB-CB 3.76Å; C120-C129 WeakPolarHBondContact CB-SG 3.21Å; C120-C129 WeakPolarHBondContact SG-CA 3.36Å; C120-C129 WeakPolarHBondContact SG-CB 3.3Å; C120-C129 CovalentContact SG-SG 2.03Å; C120-C129 PolarHBondContact SG-SG 2.76Å; F124-C129 HydrophobicContact CB-CB 4.27Å; F124-C129 WeakPolarHBondContact CD1-O 3.37Å; H125-C129 WeakPolarHBondContact O-CA 3.43Å; G126-C129 PolarHBondContact O-N 3.13Å |
| 130 | R | 91.7 | Very high | 87.2 | Confident | 188 Ų | 188 | 87.7 Ų | 87.7 | 71% | 0.709 | 42% | 0.423 | S | S | * | . | trans | -70.2 | -34.8 | 177.6 | -171 | 171.9 | 178.4 | -164.9 | -0.6 | 112.5 | L103 T128 | L103-R130 HydrophobicContact CD1-CB 3.88Å; L103-R130 HydrophobicContact CD1-CG 3.79Å; T128-R130 PolarHBondContact O-N 3.28Å | ||
| 131 | K | 86 | Confident | 86.8 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 135.8 | -173.1 | -61.8 | -176 | 177.8 | -174.8 | 0 | 110.1 | F124 H125 | F124-K131 CarbonylContact C-O 3.52Å; F124-K131 VanDerWaalsContact CA-O 3.27Å; F124-K131 WeakPolarHBondContact CA-O 3.39Å; H125-K131 PolarHBondContact CD2-O 3.21Å; H125-K131 PolarHBondContact N-O 3.24Å; H125-K131 VanDerWaalsContact NE2-CB 3.3Å; H125-K131 WeakPolarHBondContact NE2-CB 3.4Å; H125-K131 PolarHBondContact O-N 3.13Å |
| 132 | R | 84.8 | Confident | 86.7 | Confident | 160 Ų | 160 | 87.4 Ų | 87.4 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.8 | 169.9 | -72.5 | -179.7 | -177.4 | -88.5 | 0.8 | 109.3 | G123 F124 H125 G134 A156 | G123-R132 CarbonylContact O-C 3.52Å; G123-R132 VanDerWaalsContact O-CA 3.28Å; G123-R132 WeakPolarHBondContact O-CA 3.31Å; F124-R132 HydrophobicContact CD1-CG 4.01Å; F124-R132 HydrophobicContact CE1-CG 3.59Å; F124-R132 HydrophobicContact CZ-CG 4.34Å; H125-R132 PolarHBondContact CD2-O 3.36Å; H125-R132 PolarHBondContact NE2-O 3.39Å; R132-G134 PolarHBondContact O-N 3.13Å; R132-G134 VanDerWaalsContact O-N 3.1Å; R132-A156 HydrophobicContact CB-CB 3.9Å |
| 133 | K | 86.1 | Confident | 86.9 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | trans | -65.9 | 109.6 | 172.2 | -71 | -177.8 | -176.4 | 173.1 | 0 | 108.1 | G123 F124 H125 | G123-K133 PolarHBondContact O-N 3.16Å; F124-K133 WeakPolarHBondContact O-CE 3.28Å; H125-K133 HydrophobicContact CB-CG 3.97Å | ||
| 134 | G | 80.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 84.1 Ų | 84.1 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | trans | -69.7 | 172.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R132 C136 L137 D151 A156 | R132-G134 PolarHBondContact O-N 3.13Å; R132-G134 VanDerWaalsContact O-N 3.1Å; G134-C136 PolarHBondContact O-N 3.27Å; G134-L137 PolarHBondContact O-N 2.86Å; G134-D151 WeakPolarHBondContact CA-OD1 3.32Å; G134-A156 VanDerWaalsContact CA-CB 3.5Å | ||
| 135 | P | 82.7 | Confident | 87.6 | Confident | 36 Ų | 36 | 86.6 Ų | 86.6 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -59.7 | -25.7 | 177.4 | 25.8 | -34.1 | 0 | 0 | 0 | 112.5 | Q138 D151 L159 | P135-Q138 WeakPolarHBondContact O-CG 3.45Å; P135-D151 WeakPolarHBondContact CD-OD1 3.47Å; P135-L159 HydrophobicContact CB-CB 4.21Å; P135-L159 HydrophobicContact CB-CD1 4.24Å; P135-L159 HydrophobicContact CG-CB 3.96Å; P135-L159 HydrophobicContact CG-CD1 4.25Å |
| 136 | C | 85.7 | Confident | 87.8 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 16% | 0.155 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -80 | -24.7 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 114.5 | G134 Q138 C149 E150 D151 | G134-C136 PolarHBondContact O-N 3.27Å; C136-Q138 PolarHBondContact O-N 3.1Å; C136-C149 WeakPolarHBondContact CA-SG 3.47Å; C136-C149 HydrophobicContact CB-CB 3.7Å; C136-C149 WeakPolarHBondContact CB-SG 3.01Å; C136-C149 WeakPolarHBondContact SG-CB 3.44Å; C136-C149 CovalentContact SG-SG 2.03Å; C136-C149 PolarHBondContact SG-SG 3.03Å; C136-E150 PolarHBondContact SG-N 2.75Å; C136-E150 VanDerWaalsContact SG-N 3.36Å; C136-D151 WeakPolarHBondContact CB-OD1 3.14Å; C136-D151 PolarHBondContact N-OD1 3.32Å; C136-D151 PolarHBondContact SG-OD1 2.77Å |
| 137 | L | 81.1 | Confident | 88.1 | Confident | 84 Ų | 84 | 86 Ų | 86 | 44% | 0.44 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -86.9 | 14.4 | -179.1 | -68.2 | 171.7 | 0 | 0 | 0 | 113.5 | H125 G134 | H125-L137 WeakPolarHBondContact CE1-CD1 3.05Å; H125-L137 WeakPolarHBondContact NE2-CD1 3.45Å; G134-L137 PolarHBondContact O-N 2.86Å |
| 138 | Q | 77.3 | Confident | 88.1 | Confident | 116 Ų | 116 | 85.5 Ų | 85.5 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -75 | 160.1 | 171 | -63.5 | -63.2 | -26.4 | 0 | 0 | 110.8 | P135 C136 R140 | P135-Q138 WeakPolarHBondContact O-CG 3.45Å; C136-Q138 PolarHBondContact O-N 3.1Å; Q138-R140 PolarHBondContact O-N 3.46Å |
| 139 | R | 78.1 | Confident | 88 | Confident | 256 Ų | 256 | 84.5 Ų | 84.5 | 97% | 0.966 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -56.8 | -19.7 | -178.1 | -79.6 | -175.7 | 178.2 | -96.2 | 3.1 | 114.7 | ||
| 140 | R | 86.1 | Confident | 87.6 | Confident | 223 Ų | 223 | 87.1 Ų | 87.1 | 84% | 0.842 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -132.1 | 134.1 | 176.5 | -68.8 | -177.9 | 179 | -171.5 | -0.8 | 108.5 | Q138 | Q138-R140 PolarHBondContact O-N 3.46Š|
| 141 | S | 88.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 80.9 Ų | 80.9 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | trans | -56.7 | 128.2 | 172.6 | -180 | 0 | 0 | 0 | 0 | 109.3 | C143 | S141-C143 PolarHBondContact O-N 3.49Å; S141-C143 PolarHBondContact OG-N 2.78Å | ||
| 142 | P | 91.1 | Very high | 85.9 | Confident | 17 Ų | 17 | 76 Ų | 76 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -72.3 | -18.3 | 175.1 | 30 | -36.1 | 0 | 0 | 0 | 112.5 | C149 L159 R171 | P142-C149 WeakPolarHBondContact CG-SG 3.4Å; P142-L159 HydrophobicContact CB-CD1 4.15Å; P142-L159 HydrophobicContact CB-CD2 3.8Å; P142-L159 HydrophobicContact CG-CD1 3.38Å; P142-L159 HydrophobicContact CG-CD2 3.99Å; P142-L159 HydrophobicContact CG-CG 4.35Å; P142-R171 VanDerWaalsContact O-CZ 3.24Å; P142-R171 PolarHBondContact O-NE 2.73Å; P142-R171 PolarHBondContact O-NH2 3Å |
| 143 | C | 94.4 | Very high | 84.9 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -77.6 | 132.8 | 176.1 | -50.3 | 0 | 0 | 0 | 0 | 110.8 | S141 G147 C149 C161 | S141-C143 PolarHBondContact O-N 3.49Å; S141-C143 PolarHBondContact OG-N 2.78Å; C143-G147 WeakPolarHBondContact CB-O 3.01Å; C143-C149 VanDerWaalsContact SG-CA 3.53Å; C143-C149 VanDerWaalsContact SG-CB 3.53Å; C143-C161 WeakPolarHBondContact CA-SG 3.37Å; C143-C161 HydrophobicContact CB-CB 3.8Å; C143-C161 WeakPolarHBondContact CB-SG 3.28Å; C143-C161 WeakPolarHBondContact SG-CA 3.35Å; C143-C161 WeakPolarHBondContact SG-CB 3.01Å; C143-C161 CovalentContact SG-SG 2.03Å; C143-C161 PolarHBondContact SG-SG 2.03Å |
| 144 | K | 95.3 | Very high | 83.4 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 47% | 0.47 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -87.4 | 170.2 | 179.5 | -61 | -60.1 | -173.3 | 174.4 | 0 | 111.2 | G146 G147 R171 E173 | K144-G146 PolarHBondContact O-N 3.48Å; K144-G147 PolarHBondContact O-N 2.78Å; K144-R171 WeakPolarHBondContact CB-O 3.46Å; K144-R171 PolarHBondContact N-O 2.87Å; K144-E173 HydrophobicContact CB-CB 4.36Å; K144-E173 HydrophobicContact CG-CB 4.17Å |
| 145 | N | 95.1 | Very high | 82.4 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 34.6 | 173.6 | -59.6 | -39.8 | 0 | 0 | 0 | 114.7 | G147 F167 C172 | N145-G147 VanDerWaalsContact C-N 3.29Å; N145-G147 PolarHBondContact O-N 2.89Å; N145-F167 HydrophobicContact CB-CD1 3.76Å; N145-F167 HydrophobicContact CB-CD2 3.78Å; N145-F167 HydrophobicContact CB-CE1 3.67Å; N145-F167 HydrophobicContact CB-CE2 3.67Å; N145-F167 HydrophobicContact CB-CG 3.82Å; N145-F167 HydrophobicContact CB-CZ 3.61Å; N145-F167 VanDerWaalsContact ND2-CD1 3.28Å; N145-F167 WeakPolarHBondContact ND2-CD1 3.4Å; N145-F167 VanDerWaalsContact ND2-CE1 3.31Å; N145-F167 WeakPolarHBondContact ND2-CE1 3.12Å; N145-C172 PolarHBondContact ND2-O 2.74Å |
| 146 | G | 92.6 | Very high | 81.3 | Confident | 64 Ų | 64 | 82.9 Ų | 82.9 | 66% | 0.66 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 12.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | K144 | K144-G146 PolarHBondContact O-N 3.48Š|
| 147 | G | 94.5 | Very high | 80.5 | Confident | 7 Ų | 7 | 88 Ų | 88 | 7% | 0.072 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 144.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | C143 K144 N145 R162 | C143-G147 WeakPolarHBondContact CB-O 3.01Å; K144-G147 PolarHBondContact O-N 2.78Å; N145-G147 VanDerWaalsContact C-N 3.29Å; N145-G147 PolarHBondContact O-N 2.89Å; G147-R162 WeakPolarHBondContact CA-O 3.47Å |
| 148 | L | 92.9 | Very high | 80.2 | Confident | 100 Ų | 100 | 90.2 Ų | 90.2 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.4 | 177.8 | 175.6 | 67.3 | 0 | 0 | 0 | 109.6 | E150 C161 R162 | L148-E150 HydrophobicContact CD2-CG 4.29Å; L148-E150 HydrophobicContact CG-CG 4.22Å; L148-C161 CarbonylContact O-C 3.48Å; L148-C161 WeakPolarHBondContact O-CA 3.43Å; L148-R162 HydrophobicContact CB-CB 4.26Å; L148-R162 PolarHBondContact N-O 3.41Å; L148-R162 PolarHBondContact O-N 2.04Å |
| 149 | C | 90.4 | Very high | 80.6 | Confident | 26 Ų | 26 | 87.3 Ų | 87.3 | 18% | 0.176 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.8 | 175.9 | -160.5 | 0 | 0 | 0 | 0 | 110.1 | C136 P142 C143 L159 | C136-C149 WeakPolarHBondContact CA-SG 3.47Å; C136-C149 HydrophobicContact CB-CB 3.7Å; C136-C149 WeakPolarHBondContact CB-SG 3.01Å; C136-C149 WeakPolarHBondContact SG-CB 3.44Å; C136-C149 CovalentContact SG-SG 2.03Å; C136-C149 PolarHBondContact SG-SG 3.03Å; P142-C149 WeakPolarHBondContact CG-SG 3.4Å; C143-C149 VanDerWaalsContact SG-CA 3.53Å; C143-C149 VanDerWaalsContact SG-CB 3.53Å; C149-L159 WeakPolarHBondContact SG-CD1 3.39Å |
| 150 | E | 85.8 | Confident | 81.1 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132 | 175.7 | -62.3 | -175.3 | 161.7 | 0 | 0 | 109.9 | C136 L148 V160 R162 | C136-E150 PolarHBondContact SG-N 2.75Å; C136-E150 VanDerWaalsContact SG-N 3.36Å; L148-E150 HydrophobicContact CD2-CG 4.29Å; L148-E150 HydrophobicContact CG-CG 4.22Å; E150-V160 HydrophobicContact CB-CB 4.5Å; E150-V160 PolarHBondContact N-O 2.9Å; E150-V160 PolarHBondContact O-N 2.03Å; E150-R162 VanDerWaalsContact CD-NH2 3.34Å; E150-R162 WeakPolarHBondContact OE1-CD 3.33Å; E150-R162 IonicContact OE1-CZ 3Å; E150-R162 IonicContact OE1-NE 3Å; E150-R162 PolarHBondContact OE1-NE 2.92Å; E150-R162 IonicContact OE1-NH1 2.9Å; E150-R162 PolarHBondContact OE1-NH1 3.35Å; E150-R162 IonicContact OE1-NH2 2.74Å; E150-R162 PolarHBondContact OE1-NH2 3.32Å; E150-R162 VanDerWaalsContact OE1-NH2 3.16Å; E150-R162 IonicContact OE2-CZ 3.24Å; E150-R162 IonicContact OE2-NE 2.73Å; E150-R162 PolarHBondContact OE2-NE 2.82Å; E150-R162 IonicContact OE2-NH2 2.96Å; E150-R162 PolarHBondContact OE2-NH2 3.18Å |
| 151 | D | 75.8 | Confident | 81.4 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.7 | 170.2 | -65.7 | -49 | 0 | 0 | 0 | 107.8 | G134 P135 C136 D153 | G134-D151 WeakPolarHBondContact CA-OD1 3.32Å; P135-D151 WeakPolarHBondContact CD-OD1 3.47Å; C136-D151 WeakPolarHBondContact CB-OD1 3.14Å; C136-D151 PolarHBondContact N-OD1 3.32Å; C136-D151 PolarHBondContact SG-OD1 2.77Å; D151-D153 PolarHBondContact O-N 3.09Å |
| 152 | A | 66.1 | Low | 81.7 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -63.3 | 120.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G154 F155 V160 | A152-G154 PolarHBondContact O-N 3.31Å; A152-F155 PolarHBondContact O-N 3.17Å; A152-V160 HydrophobicContact CB-CG2 4.08Å |
| 153 | D | 62.3 | Low | 82 | Confident | 163 Ų | 163 | 73.2 Ų | 73.2 | 87% | 0.872 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 26 | 165.6 | -59.5 | -39.8 | 0 | 0 | 0 | 118.5 | D151 F155 | D151-D153 PolarHBondContact O-N 3.09Å; D153-F155 PolarHBondContact O-N 3.45Å; D153-F155 VanDerWaalsContact O-N 3.1Å |
| 154 | G | 56 | Low | 82.1 | Confident | 63 Ų | 63 | 77.5 Ų | 77.5 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 0.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A152 | A152-G154 PolarHBondContact O-N 3.31Š|
| 155 | F | 58.6 | Low | 82.1 | Confident | 170 Ų | 170 | 75.6 Ų | 75.6 | 75% | 0.746 | 44% | 0.44 | S | S | * | . | trans | -101.3 | 80.7 | 164.5 | -88.9 | -91.4 | 0 | 0 | 0 | 108.8 | A152 D153 T157 | A152-F155 PolarHBondContact O-N 3.17Å; D153-F155 PolarHBondContact O-N 3.45Å; D153-F155 VanDerWaalsContact O-N 3.1Å; F155-T157 PolarHBondContact O-N 3.32Å; F155-T157 PolarHBondContact O-OG1 3.2Å | ||
| 156 | A | 60.7 | Low | 82.1 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 21% | 0.207 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37.4 | 45.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | R132 G134 | R132-A156 HydrophobicContact CB-CB 3.9Å; G134-A156 VanDerWaalsContact CA-CB 3.5Å |
| 157 | T | 67.9 | Low | 82.3 | Confident | 130 Ų | 130 | 70.5 Ų | 70.5 | 80% | 0.798 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.9 | -26.3 | -175 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | F155 | F155-T157 PolarHBondContact O-N 3.32Å; F155-T157 PolarHBondContact O-OG1 3.2Å |
| 158 | E | 76 | Confident | 82.4 | Confident | 132 Ų | 132 | 73.7 Ų | 73.7 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | trans | -109.1 | 126.5 | 178.2 | -165.9 | 167 | -166.3 | 0 | 0 | 111 | V160 | E158-V160 HydrophobicContact CG-CG2 4.46Š| ||
| 159 | L | 83.9 | Confident | 82.5 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 116.5 | 173.5 | 167.9 | 60 | 0 | 0 | 0 | 108.8 | P135 P142 C149 R171 | P135-L159 HydrophobicContact CB-CB 4.21Å; P135-L159 HydrophobicContact CB-CD1 4.24Å; P135-L159 HydrophobicContact CG-CB 3.96Å; P135-L159 HydrophobicContact CG-CD1 4.25Å; P142-L159 HydrophobicContact CB-CD1 4.15Å; P142-L159 HydrophobicContact CB-CD2 3.8Å; P142-L159 HydrophobicContact CG-CD1 3.38Å; P142-L159 HydrophobicContact CG-CD2 3.99Å; P142-L159 HydrophobicContact CG-CG 4.35Å; C149-L159 WeakPolarHBondContact SG-CD1 3.39Å; L159-R171 HydrophobicContact CD2-CG 4.11Å |
| 160 | V | 88.8 | Confident | 82.7 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | E150 A152 E158 | E150-V160 HydrophobicContact CB-CB 4.5Å; E150-V160 PolarHBondContact N-O 2.9Å; E150-V160 PolarHBondContact O-N 2.03Å; A152-V160 HydrophobicContact CB-CG2 4.08Å; E158-V160 HydrophobicContact CG-CG2 4.46Å |
| 161 | C | 93.3 | Very high | 83.1 | Confident | 20 Ų | 20 | 75.9 Ų | 75.9 | 14% | 0.135 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.4 | 173.8 | -68.9 | 0 | 0 | 0 | 0 | 110.2 | C143 L148 P170 | C143-C161 WeakPolarHBondContact CA-SG 3.37Å; C143-C161 HydrophobicContact CB-CB 3.8Å; C143-C161 WeakPolarHBondContact CB-SG 3.28Å; C143-C161 WeakPolarHBondContact SG-CA 3.35Å; C143-C161 WeakPolarHBondContact SG-CB 3.01Å; C143-C161 CovalentContact SG-SG 2.03Å; C143-C161 PolarHBondContact SG-SG 2.03Å; L148-C161 CarbonylContact O-C 3.48Å; L148-C161 WeakPolarHBondContact O-CA 3.43Å; C161-P170 WeakPolarHBondContact CB-O 3.19Å |
| 162 | R | 94.6 | Very high | 84.1 | Confident | 151 Ų | 151 | 73.2 Ų | 73.2 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 113.3 | 167.2 | -66.8 | -169.8 | -175.4 | 175.1 | 12.8 | 109.2 | G147 L148 E150 | G147-R162 WeakPolarHBondContact CA-O 3.47Å; L148-R162 HydrophobicContact CB-CB 4.26Å; L148-R162 PolarHBondContact N-O 3.41Å; L148-R162 PolarHBondContact O-N 2.04Å; E150-R162 VanDerWaalsContact CD-NH2 3.34Å; E150-R162 WeakPolarHBondContact OE1-CD 3.33Å; E150-R162 IonicContact OE1-CZ 3Å; E150-R162 IonicContact OE1-NE 3Å; E150-R162 PolarHBondContact OE1-NE 2.92Å; E150-R162 IonicContact OE1-NH1 2.9Å; E150-R162 PolarHBondContact OE1-NH1 3.35Å; E150-R162 IonicContact OE1-NH2 2.74Å; E150-R162 PolarHBondContact OE1-NH2 3.32Å; E150-R162 VanDerWaalsContact OE1-NH2 3.16Å; E150-R162 IonicContact OE2-CZ 3.24Å; E150-R162 IonicContact OE2-NE 2.73Å; E150-R162 PolarHBondContact OE2-NE 2.82Å; E150-R162 IonicContact OE2-NH2 2.96Å; E150-R162 PolarHBondContact OE2-NH2 3.18Å |
| 163 | C | 97.1 | Very high | 85.5 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -79 | 144 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 112 | F167 C172 | C163-F167 HydrophobicContact CB-CB 4.3Å; C163-F167 WeakPolarHBondContact CB-O 3.09Å; C163-C172 WeakPolarHBondContact CA-SG 3.3Å; C163-C172 HydrophobicContact CB-CB 3.69Å; C163-C172 WeakPolarHBondContact CB-SG 3.44Å; C163-C172 PolarHBondContact N-SG 2.77Å; C163-C172 VanDerWaalsContact N-SG 3.41Å; C163-C172 WeakPolarHBondContact SG-CA 3.05Å; C163-C172 WeakPolarHBondContact SG-CB 3.27Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å |
| 164 | L | 96.3 | Very high | 87.1 | Confident | 99 Ų | 99 | 71.4 Ų | 71.4 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 157.6 | 166.2 | -63 | -179.7 | 0 | 0 | 0 | 109.5 | G166 F167 | L164-G166 PolarHBondContact O-N 2.96Å; L164-F167 HydrophobicContact CB-CD2 4.41Å; L164-F167 PolarHBondContact O-N 3.42Å; L164-F167 VanDerWaalsContact O-N 3.1Å |
| 165 | A | 95.4 | Very high | 89.1 | Confident | 69 Ų | 69 | 71 Ų | 71 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 138 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 166 | G | 95.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -10.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L164 I176 N195 | L164-G166 PolarHBondContact O-N 2.96Å; G166-I176 WeakPolarHBondContact O-CB 3.48Å; G166-I176 WeakPolarHBondContact O-CG1 3.02Å; G166-I176 PolarHBondContact O-N 3.5Å; G166-N195 PolarHBondContact N-OD1 3.33Å |
| 167 | F | 97.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.8 | 178 | -62.1 | -75 | 0 | 0 | 0 | 113 | N145 C163 L164 C172 T174 D175 V194 | N145-F167 HydrophobicContact CB-CD1 3.76Å; N145-F167 HydrophobicContact CB-CD2 3.78Å; N145-F167 HydrophobicContact CB-CE1 3.67Å; N145-F167 HydrophobicContact CB-CE2 3.67Å; N145-F167 HydrophobicContact CB-CG 3.82Å; N145-F167 HydrophobicContact CB-CZ 3.61Å; N145-F167 VanDerWaalsContact ND2-CD1 3.28Å; N145-F167 WeakPolarHBondContact ND2-CD1 3.4Å; N145-F167 VanDerWaalsContact ND2-CE1 3.31Å; N145-F167 WeakPolarHBondContact ND2-CE1 3.12Å; C163-F167 HydrophobicContact CB-CB 4.3Å; C163-F167 WeakPolarHBondContact CB-O 3.09Å; L164-F167 HydrophobicContact CB-CD2 4.41Å; L164-F167 PolarHBondContact O-N 3.42Å; L164-F167 VanDerWaalsContact O-N 3.1Å; F167-C172 HydrophobicContact CB-CB 4.31Å; F167-T174 CarbonylContact C-O 3.52Å; F167-T174 VanDerWaalsContact CA-O 3.28Å; F167-T174 WeakPolarHBondContact CA-O 3.36Å; F167-D175 HydrophobicContact CD1-CB 4.32Å; F167-D175 HydrophobicContact CE1-CB 4.13Å; F167-V194 HydrophobicContact CD2-CG1 4.33Å; F167-V194 HydrophobicContact CE1-CG1 4.43Å; F167-V194 HydrophobicContact CE1-CG2 4.33Å; F167-V194 HydrophobicContact CE2-CG1 3.42Å; F167-V194 VanDerWaalsContact CE2-CG1 3.42Å; F167-V194 HydrophobicContact CZ-CB 4.26Å; F167-V194 HydrophobicContact CZ-CG1 3.49Å; F167-V194 VanDerWaalsContact CZ-CG1 3.49Å; F167-V194 HydrophobicContact CZ-CG2 3.72Å |
| 168 | T | 95.8 | Very high | 93.9 | Very high | 73 Ų | 73 | 64.2 Ų | 64.2 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 179.1 | 176.7 | -167.1 | 0 | 0 | 0 | 0 | 111.1 | C172 E173 T174 I176 | T168-C172 CarbonylContact O-C 3.48Å; T168-C172 VanDerWaalsContact O-CA 3.3Å; T168-C172 WeakPolarHBondContact O-CA 3.2Å; T168-E173 PolarHBondContact O-N 3.4Å; T168-T174 HydrophobicContact CG2-CG2 3.94Å; T168-T174 PolarHBondContact N-O 3.49Å; T168-T174 PolarHBondContact O-N 3.43Å; T168-T174 VanDerWaalsContact O-N 3.09Å; T168-I176 HydrophobicContact CG2-CG1 3.87Å |
| 169 | G | 95.5 | Very high | 94.8 | Very high | 26 Ų | 26 | 59 Ų | 59 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 96.5 | 163.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R171 C172 | G169-R171 PolarHBondContact O-N 3.18Å; G169-R171 VanDerWaalsContact O-N 3.13Å; G169-C172 PolarHBondContact O-N 2.64Å; G169-C172 VanDerWaalsContact O-N 3.16Å |
| 170 | P | 92.9 | Very high | 95.2 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.8 | -175.9 | 26.8 | -35.7 | 0 | 0 | 0 | 113.2 | C161 E173 | C161-P170 WeakPolarHBondContact CB-O 3.19Å; P170-E173 WeakPolarHBondContact CD-OE1 3.24Å |
| 171 | R | 94.4 | Very high | 95.2 | Very high | 103 Ų | 103 | 68.6 Ų | 68.6 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 16.9 | 177.8 | -58.1 | 179.7 | 64.5 | 179.4 | 4.5 | 112 | P142 K144 L159 G169 E173 | P142-R171 VanDerWaalsContact O-CZ 3.24Å; P142-R171 PolarHBondContact O-NE 2.73Å; P142-R171 PolarHBondContact O-NH2 3Å; K144-R171 WeakPolarHBondContact CB-O 3.46Å; K144-R171 PolarHBondContact N-O 2.87Å; L159-R171 HydrophobicContact CD2-CG 4.11Å; G169-R171 PolarHBondContact O-N 3.18Å; G169-R171 VanDerWaalsContact O-N 3.13Å; R171-E173 WeakPolarHBondContact CA-OE2 3.22Å; R171-E173 WeakPolarHBondContact CB-OE2 3.19Å; R171-E173 PolarHBondContact N-OE2 3.1Å; R171-E173 PolarHBondContact O-N 3.25Å |
| 172 | C | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 40% | 0.398 | C | S | . | . | S | Bend | trans | 57.3 | 31.6 | -177.7 | -45.4 | 0 | 0 | 0 | 0 | 113.4 | N145 C163 F167 T168 G169 | N145-C172 PolarHBondContact ND2-O 2.74Å; C163-C172 WeakPolarHBondContact CA-SG 3.3Å; C163-C172 HydrophobicContact CB-CB 3.69Å; C163-C172 WeakPolarHBondContact CB-SG 3.44Å; C163-C172 PolarHBondContact N-SG 2.77Å; C163-C172 VanDerWaalsContact N-SG 3.41Å; C163-C172 WeakPolarHBondContact SG-CA 3.05Å; C163-C172 WeakPolarHBondContact SG-CB 3.27Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å; F167-C172 HydrophobicContact CB-CB 4.31Å; T168-C172 CarbonylContact O-C 3.48Å; T168-C172 VanDerWaalsContact O-CA 3.3Å; T168-C172 WeakPolarHBondContact O-CA 3.2Å; G169-C172 PolarHBondContact O-N 2.64Å; G169-C172 VanDerWaalsContact O-N 3.16Å |
| 173 | E | 96.1 | Very high | 94.8 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | trans | -83.4 | -19.3 | -175 | 68.3 | -87.8 | -142.3 | 0 | 0 | 113.5 | K144 T168 P170 R171 | K144-E173 HydrophobicContact CB-CB 4.36Å; K144-E173 HydrophobicContact CG-CB 4.17Å; T168-E173 PolarHBondContact O-N 3.4Å; P170-E173 WeakPolarHBondContact CD-OE1 3.24Å; R171-E173 WeakPolarHBondContact CA-OE2 3.22Å; R171-E173 WeakPolarHBondContact CB-OE2 3.19Å; R171-E173 PolarHBondContact N-OE2 3.1Å; R171-E173 PolarHBondContact O-N 3.25Å | ||
| 174 | T | 96.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 42% | 0.423 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.8 | -173 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | F167 T168 | F167-T174 CarbonylContact C-O 3.52Å; F167-T174 VanDerWaalsContact CA-O 3.28Å; F167-T174 WeakPolarHBondContact CA-O 3.36Å; T168-T174 HydrophobicContact CG2-CG2 3.94Å; T168-T174 PolarHBondContact N-O 3.49Å; T168-T174 PolarHBondContact O-N 3.43Å; T168-T174 VanDerWaalsContact O-N 3.09Å |
| 175 | D | 96.5 | Very high | 94.6 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.1 | 166.9 | -155.9 | 3.5 | 0 | 0 | 0 | 108.6 | F167 D177 V194 | F167-D175 HydrophobicContact CD1-CB 4.32Å; F167-D175 HydrophobicContact CE1-CB 4.13Å; D175-D177 PolarHBondContact O-N 3.41Å; D175-V194 WeakPolarHBondContact OD2-CG2 3.42Å |
| 176 | I | 96.5 | Very high | 94.5 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 118 | 178.1 | -65.2 | 171.5 | 0 | 0 | 0 | 106.7 | G166 T168 D178 | G166-I176 WeakPolarHBondContact O-CB 3.48Å; G166-I176 WeakPolarHBondContact O-CG1 3.02Å; G166-I176 PolarHBondContact O-N 3.5Å; T168-I176 HydrophobicContact CG2-CG1 3.87Å; I176-D178 PolarHBondContact O-N 3.36Å |
| 177 | D | 95.5 | Very high | 94.2 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -67 | 101.7 | 177.1 | -179 | -6 | 0 | 0 | 0 | 110.4 | D175 C179 L180 D192 | D175-D177 PolarHBondContact O-N 3.41Å; D177-C179 PolarHBondContact O-N 3.24Å; D177-C179 WeakPolarHBondContact OD1-CA 3.21Å; D177-C179 WeakPolarHBondContact OD1-CB 3.02Å; D177-C179 PolarHBondContact OD1-N 3.1Å; D177-L180 HydrophobicContact CB-CD1 4Å; D177-L180 HydrophobicContact CB-CG 3.83Å; D177-L180 WeakPolarHBondContact O-CG 3.48Å; D177-L180 PolarHBondContact O-N 3.16Å; D177-D192 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 178 | D | 95.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 24% | 0.235 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -9.6 | -179.5 | -76.7 | -70.6 | 0 | 0 | 0 | 112.2 | I176 D192 N195 R196 F197 | I176-D178 PolarHBondContact O-N 3.36Å; D178-D192 PolarHBondContact N-OD1 2.81Å; D178-N195 VanDerWaalsContact OD2-C 3.31Å; D178-N195 WeakPolarHBondContact OD2-CA 3.05Å; D178-N195 PolarHBondContact OD2-N 3.23Å; D178-R196 PolarHBondContact OD2-N 2.9Å; D178-F197 HydrophobicContact CB-CB 3.91Å; D178-F197 HydrophobicContact CB-CD1 4.4Å |
| 179 | C | 95.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 16% | 0.155 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 114 | D177 M181 V182 C190 D192 | D177-C179 PolarHBondContact O-N 3.24Å; D177-C179 WeakPolarHBondContact OD1-CA 3.21Å; D177-C179 WeakPolarHBondContact OD1-CB 3.02Å; D177-C179 PolarHBondContact OD1-N 3.1Å; C179-M181 PolarHBondContact O-N 3.33Å; C179-M181 VanDerWaalsContact O-N 3.14Å; C179-V182 PolarHBondContact O-N 3.17Å; C179-C190 VanDerWaalsContact CA-SG 3.5Å; C179-C190 HydrophobicContact CB-CB 3.66Å; C179-C190 WeakPolarHBondContact CB-SG 3.41Å; C179-C190 VanDerWaalsContact SG-C 3.53Å; C179-C190 WeakPolarHBondContact SG-CB 3.37Å; C179-C190 CovalentContact SG-SG 2.03Å; C179-C190 PolarHBondContact SG-SG 3.26Å; C179-D192 PolarHBondContact SG-N 3.04Å |
| 180 | L | 93.4 | Very high | 94.2 | Very high | 128 Ų | 128 | 66.1 Ų | 66.1 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.2 | -177 | -72.8 | 173.9 | 0 | 0 | 0 | 114.1 | D177 V182 | D177-L180 HydrophobicContact CB-CD1 4Å; D177-L180 HydrophobicContact CB-CG 3.83Å; D177-L180 WeakPolarHBondContact O-CG 3.48Å; D177-L180 PolarHBondContact O-N 3.16Å; L180-V182 PolarHBondContact O-N 3.27Å |
| 181 | M | 88.7 | Confident | 94.3 | Very high | 174 Ų | 174 | 64.5 Ų | 64.5 | 86% | 0.857 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 9.5 | 177.8 | -65 | -61.4 | -67.7 | 0 | 0 | 113.5 | C179 | C179-M181 PolarHBondContact O-N 3.33Å; C179-M181 VanDerWaalsContact O-N 3.14Å |
| 182 | V | 87.2 | Confident | 94.4 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | trans | 48.1 | 61.6 | -179.1 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | C179 L180 C184 | C179-V182 PolarHBondContact O-N 3.17Å; L180-V182 PolarHBondContact O-N 3.27Å; V182-C184 VanDerWaalsContact C-N 3.25Å; V182-C184 PolarHBondContact O-N 2.83Å | ||
| 183 | P | 90.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | trans | -70.3 | -22.5 | -174.6 | 28.4 | -34.8 | 0 | 0 | 0 | 113.1 | F197 F209 | P183-F197 HydrophobicContact CB-CD1 4.31Å; P183-F197 HydrophobicContact CB-CD2 3.93Å; P183-F197 HydrophobicContact CB-CE1 4.03Å; P183-F197 HydrophobicContact CB-CE2 3.63Å; P183-F197 HydrophobicContact CB-CG 4.29Å; P183-F197 HydrophobicContact CB-CZ 3.71Å; P183-F197 HydrophobicContact CG-CB 4.42Å; P183-F197 HydrophobicContact CG-CD1 4.07Å; P183-F197 HydrophobicContact CG-CD2 3.53Å; P183-F197 HydrophobicContact CG-CE1 4.3Å; P183-F197 HydrophobicContact CG-CE2 3.8Å; P183-F197 HydrophobicContact CG-CG 3.71Å; P183-F197 HydrophobicContact CG-CZ 4.2Å; P183-F209 HydrophobicContact CB-CD1 4.35Å; P183-F209 HydrophobicContact CB-CE1 4.4Å; P183-F209 VanDerWaalsContact O-CD1 3.27Å; P183-F209 WeakPolarHBondContact O-CD1 3.48Å | ||
| 184 | C | 95.9 | Very high | 94.2 | Very high | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.095 | 38% | 0.38 | C | S | . | . | trans | -89.2 | 132.6 | -174.3 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | V182 A188 C190 C199 | V182-C184 VanDerWaalsContact C-N 3.25Å; V182-C184 PolarHBondContact O-N 2.83Å; C184-A188 HydrophobicContact CB-CB 3.86Å; C184-C190 HydrophobicContact CB-CB 4.46Å; C184-C190 WeakPolarHBondContact SG-CB 3.23Å; C184-C199 WeakPolarHBondContact CA-SG 3.37Å; C184-C199 HydrophobicContact CB-CB 3.76Å; C184-C199 WeakPolarHBondContact CB-SG 3.48Å; C184-C199 WeakPolarHBondContact SG-CA 3.07Å; C184-C199 WeakPolarHBondContact SG-CB 3.33Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.44Å | ||
| 185 | A | 94.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 63.1 Ų | 63.1 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | trans | -96.8 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G187 A188 F209 T211 | A185-G187 PolarHBondContact O-N 3.16Å; A185-G187 VanDerWaalsContact O-N 3.07Å; A185-A188 WeakPolarHBondContact O-CB 3.41Å; A185-A188 PolarHBondContact O-N 2.03Å; A185-F209 WeakPolarHBondContact CB-O 3.46Å; A185-F209 PolarHBondContact N-O 3.38Å; A185-T211 HydrophobicContact CB-CG2 3.56Å | ||
| 186 | S | 92.4 | Very high | 94 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 26.9 | 168.5 | -46.8 | 0 | 0 | 0 | 0 | 115.1 | A188 P202 F205 C210 | S186-A188 VanDerWaalsContact C-N 3.31Å; S186-P202 WeakPolarHBondContact O-CG 3.36Å; S186-F205 WeakPolarHBondContact OG-CD1 3.43Å; S186-F205 VanDerWaalsContact OG-CE1 3.28Å; S186-F205 WeakPolarHBondContact OG-CE1 3.3Å; S186-C210 PolarHBondContact OG-O 3.17Å |
| 187 | G | 89.4 | Confident | 94 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 78% | 0.784 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 16.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A185 | A185-G187 PolarHBondContact O-N 3.16Å; A185-G187 VanDerWaalsContact O-N 3.07Å |
| 188 | A | 95.1 | Very high | 94 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | C184 A185 S186 L200 C210 | C184-A188 HydrophobicContact CB-CB 3.86Å; A185-A188 WeakPolarHBondContact O-CB 3.41Å; A185-A188 PolarHBondContact O-N 2.03Å; S186-A188 VanDerWaalsContact C-N 3.31Å; A188-L200 WeakPolarHBondContact CA-O 3.04Å; A188-L200 WeakPolarHBondContact CB-O 3.43Å; A188-C210 HydrophobicContact CB-CB 3.78Å; A188-C210 VanDerWaalsContact CB-SG 3.56Å |
| 189 | T | 96.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.4 | 175.7 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | L200 | T189-L200 PolarHBondContact N-O 3.48Å; T189-L200 PolarHBondContact O-N 3.36Å |
| 190 | C | 97.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134.3 | 173.4 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | C179 C184 | C179-C190 VanDerWaalsContact CA-SG 3.5Å; C179-C190 HydrophobicContact CB-CB 3.66Å; C179-C190 WeakPolarHBondContact CB-SG 3.41Å; C179-C190 VanDerWaalsContact SG-C 3.53Å; C179-C190 WeakPolarHBondContact SG-CB 3.37Å; C179-C190 CovalentContact SG-SG 2.03Å; C179-C190 PolarHBondContact SG-SG 3.26Å; C184-C190 HydrophobicContact CB-CB 4.46Å; C184-C190 WeakPolarHBondContact SG-CB 3.23Å |
| 191 | V | 96.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.8 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | F197 S198 L200 | V191-F197 CarbonylContact O-C 3.57Å; V191-F197 WeakPolarHBondContact O-CA 3.5Å; V191-S198 PolarHBondContact N-O 2.95Å; V191-S198 PolarHBondContact O-N 2.91Å; V191-L200 HydrophobicContact CG2-CD1 3.72Å; V191-L200 HydrophobicContact CG2-CD2 4.4Å; V191-L200 HydrophobicContact CG2-CG 3.76Å |
| 192 | D | 96.1 | Very high | 94.5 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | trans | -67.9 | 156.2 | 177 | -177.9 | 47.4 | 0 | 0 | 0 | 111.8 | D177 D178 C179 | D177-D192 WeakPolarHBondContact CA-OD1 3.29Å; D178-D192 PolarHBondContact N-OD1 2.81Å; C179-D192 PolarHBondContact SG-N 3.04Å | ||
| 193 | G | 93.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | trans | -168.8 | 167.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N195 R196 | G193-N195 PolarHBondContact O-N 3.26Å; G193-R196 CarbonylContact C-O 3.59Å; G193-R196 WeakPolarHBondContact CA-O 3.41Å; G193-R196 PolarHBondContact N-O 3.2Å; G193-R196 PolarHBondContact O-N 2.82Å | ||
| 194 | V | 95.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 58 Ų | 58 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 111.6 | -175.1 | -177.1 | 0 | 0 | 0 | 0 | 112 | F167 D175 R196 | F167-V194 HydrophobicContact CD2-CG1 4.33Å; F167-V194 HydrophobicContact CE1-CG1 4.43Å; F167-V194 HydrophobicContact CE1-CG2 4.33Å; F167-V194 HydrophobicContact CE2-CG1 3.42Å; F167-V194 VanDerWaalsContact CE2-CG1 3.42Å; F167-V194 HydrophobicContact CZ-CB 4.26Å; F167-V194 HydrophobicContact CZ-CG1 3.49Å; F167-V194 VanDerWaalsContact CZ-CG1 3.49Å; F167-V194 HydrophobicContact CZ-CG2 3.72Å; D175-V194 WeakPolarHBondContact OD2-CG2 3.42Å; V194-R196 PolarHBondContact O-N 2.94Å; V194-R196 PolarHBondContact O-NH1 2.02Å; V194-R196 VanDerWaalsContact O-NH1 3.09Å |
| 195 | N | 94.5 | Very high | 94.7 | Very high | 94 Ų | 94 | 59.3 Ų | 59.3 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 29.6 | 179.4 | -163.7 | 54.6 | 0 | 0 | 0 | 113 | G166 D178 G193 | G166-N195 PolarHBondContact N-OD1 3.33Å; D178-N195 VanDerWaalsContact OD2-C 3.31Å; D178-N195 WeakPolarHBondContact OD2-CA 3.05Å; D178-N195 PolarHBondContact OD2-N 3.23Å; G193-N195 PolarHBondContact O-N 3.26Å |
| 196 | R | 94.5 | Very high | 94.7 | Very high | 147 Ų | 147 | 59.5 Ų | 59.5 | 56% | 0.555 | 36% | 0.363 | S | S | * | . | trans | -164.4 | 145.5 | 179.3 | 72.5 | -172.1 | -174.6 | -76.4 | -2.6 | 110 | D178 G193 V194 | D178-R196 PolarHBondContact OD2-N 2.9Å; G193-R196 CarbonylContact C-O 3.59Å; G193-R196 WeakPolarHBondContact CA-O 3.41Å; G193-R196 PolarHBondContact N-O 3.2Å; G193-R196 PolarHBondContact O-N 2.82Å; V194-R196 PolarHBondContact O-N 2.94Å; V194-R196 PolarHBondContact O-NH1 2.02Å; V194-R196 VanDerWaalsContact O-NH1 3.09Å | ||
| 197 | F | 95.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | trans | -110.8 | 163.1 | 165.9 | 66.7 | -83.4 | 0 | 0 | 0 | 111.2 | D178 P183 V191 F209 | D178-F197 HydrophobicContact CB-CB 3.91Å; D178-F197 HydrophobicContact CB-CD1 4.4Å; P183-F197 HydrophobicContact CB-CD1 4.31Å; P183-F197 HydrophobicContact CB-CD2 3.93Å; P183-F197 HydrophobicContact CB-CE1 4.03Å; P183-F197 HydrophobicContact CB-CE2 3.63Å; P183-F197 HydrophobicContact CB-CG 4.29Å; P183-F197 HydrophobicContact CB-CZ 3.71Å; P183-F197 HydrophobicContact CG-CB 4.42Å; P183-F197 HydrophobicContact CG-CD1 4.07Å; P183-F197 HydrophobicContact CG-CD2 3.53Å; P183-F197 HydrophobicContact CG-CE1 4.3Å; P183-F197 HydrophobicContact CG-CE2 3.8Å; P183-F197 HydrophobicContact CG-CG 3.71Å; P183-F197 HydrophobicContact CG-CZ 4.2Å; V191-F197 CarbonylContact O-C 3.57Å; V191-F197 WeakPolarHBondContact O-CA 3.5Å; F197-F209 HydrophobicContact CE1-CE1 4.38Å; F197-F209 HydrophobicContact CE2-CD1 4.05Å; F197-F209 HydrophobicContact CE2-CE1 4.03Å; F197-F209 AromaticContact CZ-CD1 3.9Å; F197-F209 HydrophobicContact CZ-CD1 3.9Å; F197-F209 AromaticContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CZ 4.22Å | ||
| 198 | S | 96.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.8 | 168.2 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | V191 | V191-S198 PolarHBondContact N-O 2.95Å; V191-S198 PolarHBondContact O-N 2.91Å |
| 199 | C | 97.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 14% | 0.142 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.5 | 176.5 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | C184 C201 R208 C210 | C184-C199 WeakPolarHBondContact CA-SG 3.37Å; C184-C199 HydrophobicContact CB-CB 3.76Å; C184-C199 WeakPolarHBondContact CB-SG 3.48Å; C184-C199 WeakPolarHBondContact SG-CA 3.07Å; C184-C199 WeakPolarHBondContact SG-CB 3.33Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.44Å; C199-C201 PolarHBondContact O-N 3.35Å; C199-R208 WeakPolarHBondContact CB-O 3.48Å; C199-R208 PolarHBondContact SG-O 3.23Å; C199-C210 WeakPolarHBondContact CB-SG 3.46Å |
| 200 | L | 96.9 | Very high | 94.9 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 56% | 0.555 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 100 | 169.3 | -58 | -179.6 | 0 | 0 | 0 | 108.5 | A188 T189 V191 | A188-L200 WeakPolarHBondContact CA-O 3.04Å; A188-L200 WeakPolarHBondContact CB-O 3.43Å; T189-L200 PolarHBondContact N-O 3.48Å; T189-L200 PolarHBondContact O-N 3.36Å; V191-L200 HydrophobicContact CG2-CD1 3.72Å; V191-L200 HydrophobicContact CG2-CD2 4.4Å; V191-L200 HydrophobicContact CG2-CG 3.76Å |
| 201 | C | 96.1 | Very high | 94.8 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 32% | 0.324 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 137 | -176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | C199 F205 G207 C210 | C199-C201 PolarHBondContact O-N 3.35Å; C201-F205 HydrophobicContact CB-CB 4.28Å; C201-F205 VanDerWaalsContact CB-O 3.27Å; C201-F205 WeakPolarHBondContact CB-O 3.22Å; C201-G207 PolarHBondContact SG-O 3.37Å; C201-C210 WeakPolarHBondContact CA-SG 3.42Å; C201-C210 HydrophobicContact CB-CB 3.77Å; C201-C210 WeakPolarHBondContact CB-SG 3.39Å; C201-C210 VanDerWaalsContact SG-CA 3.5Å; C201-C210 WeakPolarHBondContact SG-CB 3.34Å; C201-C210 CovalentContact SG-SG 2.04Å; C201-C210 PolarHBondContact SG-SG 3.18Å |
| 202 | P | 94 | Very high | 94.6 | Very high | 47 Ų | 47 | 65.4 Ų | 65.4 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 162.5 | 169.2 | 25.7 | -28.1 | 0 | 0 | 0 | 110.6 | S186 G204 F205 | S186-P202 WeakPolarHBondContact O-CG 3.36Å; P202-G204 PolarHBondContact O-N 2.04Å; P202-F205 HydrophobicContact CG-CB 4.4Å; P202-F205 HydrophobicContact CG-CD2 3.84Å; P202-F205 HydrophobicContact CG-CG 4.44Å; P202-F205 PolarHBondContact O-N 2.83Å |
| 203 | V | 91.3 | Very high | 94.4 | Very high | 125 Ų | 125 | 65 Ų | 65 | 76% | 0.758 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.7 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 204 | G | 91.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -5.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P202 N213 M214 G233 | P202-G204 PolarHBondContact O-N 2.04Å; G204-N213 CarbonylContact O-C 3.59Å; G204-N213 PolarHBondContact O-OD1 3.45Å; G204-N213 VanDerWaalsContact O-OD1 3.07Å; G204-M214 WeakPolarHBondContact O-CB 3.47Å; G204-M214 PolarHBondContact O-N 2.86Å; G204-G233 VanDerWaalsContact CA-CA 3.47Å |
| 205 | F | 94.9 | Very high | 94.2 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 18% | 0.18 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.1 | 175.8 | -70 | -87.2 | 0 | 0 | 0 | 112.3 | S186 C201 P202 C210 V212 N213 M214 A232 | S186-F205 WeakPolarHBondContact OG-CD1 3.43Å; S186-F205 VanDerWaalsContact OG-CE1 3.28Å; S186-F205 WeakPolarHBondContact OG-CE1 3.3Å; C201-F205 HydrophobicContact CB-CB 4.28Å; C201-F205 VanDerWaalsContact CB-O 3.27Å; C201-F205 WeakPolarHBondContact CB-O 3.22Å; P202-F205 HydrophobicContact CG-CB 4.4Å; P202-F205 HydrophobicContact CG-CD2 3.84Å; P202-F205 HydrophobicContact CG-CG 4.44Å; P202-F205 PolarHBondContact O-N 2.83Å; F205-C210 HydrophobicContact CB-CB 4.34Å; F205-C210 WeakPolarHBondContact CD1-O 3.3Å; F205-V212 CarbonylContact C-O 3.38Å; F205-V212 WeakPolarHBondContact CA-O 3.46Å; F205-N213 HydrophobicContact CE1-CB 4.41Å; F205-M214 WeakPolarHBondContact O-CE 3.06Å; F205-A232 HydrophobicContact CE2-CB 3.61Å; F205-A232 HydrophobicContact CZ-CB 3.79Å |
| 206 | S | 93.4 | Very high | 94.1 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 175.3 | -178.1 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | C210 V212 | S206-C210 WeakPolarHBondContact O-CA 3.47Å; S206-V212 PolarHBondContact N-O 2.6Å; S206-V212 WeakPolarHBondContact O-CB 3.39Å; S206-V212 PolarHBondContact O-N 2.77Å; S206-V212 PolarHBondContact OG-O 3.24Å |
| 207 | G | 93.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 88.6 | 167 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C201 F209 C210 | C201-G207 PolarHBondContact SG-O 3.37Å; G207-F209 PolarHBondContact O-N 3.32Å; G207-F209 VanDerWaalsContact O-N 3.13Å; G207-C210 PolarHBondContact O-N 3.41Å; G207-C210 VanDerWaalsContact O-N 3.13Å |
| 208 | R | 93.6 | Very high | 94 | Very high | 167 Ų | 167 | 63.9 Ų | 63.9 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -32 | -175.4 | -178 | 176 | 178.5 | 178.6 | -1 | 113.7 | C199 | C199-R208 WeakPolarHBondContact CB-O 3.48Å; C199-R208 PolarHBondContact SG-O 3.23Å |
| 209 | F | 95.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 5.6 | -177.3 | -56.3 | -76.9 | 0 | 0 | 0 | 113.1 | P183 A185 F197 G207 T211 | P183-F209 HydrophobicContact CB-CD1 4.35Å; P183-F209 HydrophobicContact CB-CE1 4.4Å; P183-F209 VanDerWaalsContact O-CD1 3.27Å; P183-F209 WeakPolarHBondContact O-CD1 3.48Å; A185-F209 WeakPolarHBondContact CB-O 3.46Å; A185-F209 PolarHBondContact N-O 3.38Å; F197-F209 HydrophobicContact CE1-CE1 4.38Å; F197-F209 HydrophobicContact CE2-CD1 4.05Å; F197-F209 HydrophobicContact CE2-CE1 4.03Å; F197-F209 AromaticContact CZ-CD1 3.9Å; F197-F209 HydrophobicContact CZ-CD1 3.9Å; F197-F209 AromaticContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CZ 4.22Å; G207-F209 PolarHBondContact O-N 3.32Å; G207-F209 VanDerWaalsContact O-N 3.13Å; F209-T211 HydrophobicContact CB-CG2 3.94Å; F209-T211 PolarHBondContact O-N 3.16Å |
| 210 | C | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 41% | 0.408 | C | S | . | . | S | Bend | trans | 56.4 | 30.5 | -176.9 | -48 | 0 | 0 | 0 | 0 | 114.7 | S186 A188 C199 C201 F205 S206 G207 | S186-C210 PolarHBondContact OG-O 3.17Å; A188-C210 HydrophobicContact CB-CB 3.78Å; A188-C210 VanDerWaalsContact CB-SG 3.56Å; C199-C210 WeakPolarHBondContact CB-SG 3.46Å; C201-C210 WeakPolarHBondContact CA-SG 3.42Å; C201-C210 HydrophobicContact CB-CB 3.77Å; C201-C210 WeakPolarHBondContact CB-SG 3.39Å; C201-C210 VanDerWaalsContact SG-CA 3.5Å; C201-C210 WeakPolarHBondContact SG-CB 3.34Å; C201-C210 CovalentContact SG-SG 2.04Å; C201-C210 PolarHBondContact SG-SG 3.18Å; F205-C210 HydrophobicContact CB-CB 4.34Å; F205-C210 WeakPolarHBondContact CD1-O 3.3Å; S206-C210 WeakPolarHBondContact O-CA 3.47Å; G207-C210 PolarHBondContact O-N 3.41Å; G207-C210 VanDerWaalsContact O-N 3.13Å |
| 211 | T | 94.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 67.6 Ų | 67.6 | 56% | 0.564 | 39% | 0.387 | S | S | * | . | trans | -89.9 | -10.5 | 179.9 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | A185 F209 | A185-T211 HydrophobicContact CB-CG2 3.56Å; F209-T211 HydrophobicContact CB-CG2 3.94Å; F209-T211 PolarHBondContact O-N 3.16Å | ||
| 212 | V | 92.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 112.9 | -175.1 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | F205 S206 M214 | F205-V212 CarbonylContact C-O 3.38Å; F205-V212 WeakPolarHBondContact CA-O 3.46Å; S206-V212 PolarHBondContact N-O 2.6Å; S206-V212 WeakPolarHBondContact O-CB 3.39Å; S206-V212 PolarHBondContact O-N 2.77Å; S206-V212 PolarHBondContact OG-O 3.24Å; V212-M214 PolarHBondContact O-N 2.82Å |
| 213 | N | 91.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 71.6 Ų | 71.6 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 127.9 | 167.1 | -164.8 | 40.8 | 0 | 0 | 0 | 108.9 | G204 F205 D230 R231 A232 | G204-N213 CarbonylContact O-C 3.59Å; G204-N213 PolarHBondContact O-OD1 3.45Å; G204-N213 VanDerWaalsContact O-OD1 3.07Å; F205-N213 HydrophobicContact CE1-CB 4.41Å; N213-D230 PolarHBondContact ND2-OD2 3.27Å; N213-R231 PolarHBondContact ND2-O 3.32Å; N213-A232 WeakPolarHBondContact OD1-CA 3.11Å |
| 214 | M | 93.2 | Very high | 93.9 | Very high | 90 Ų | 90 | 69.4 Ų | 69.4 | 44% | 0.443 | 38% | 0.376 | S | S | . | . | trans | -70.7 | 134.1 | 173 | -65.9 | -171.1 | -166.5 | 0 | 0 | 108.6 | G204 F205 V212 D216 | G204-M214 WeakPolarHBondContact O-CB 3.47Å; G204-M214 PolarHBondContact O-N 2.86Å; F205-M214 WeakPolarHBondContact O-CE 3.06Å; V212-M214 PolarHBondContact O-N 2.82Å; M214-D216 PolarHBondContact O-N 2.96Å | ||
| 215 | D | 92 | Very high | 93.9 | Very high | 95 Ų | 95 | 71.3 Ų | 71.3 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | trans | -77.4 | 94.3 | 177.9 | -179 | 3.5 | 0 | 0 | 0 | 110.2 | C217 A218 | D215-C217 PolarHBondContact O-N 3.21Å; D215-C217 VanDerWaalsContact OD1-CA 3.31Å; D215-C217 WeakPolarHBondContact OD1-CA 3.48Å; D215-C217 WeakPolarHBondContact OD1-CB 3.34Å; D215-C217 PolarHBondContact OD1-N 3.08Å; D215-A218 HydrophobicContact CB-CB 4.32Å; D215-A218 WeakPolarHBondContact O-CB 3.42Å; D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 2.96Å | ||
| 216 | D | 93.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 70 Ų | 70 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.5 | 177.6 | -72 | -64.4 | 0 | 0 | 0 | 112.3 | M214 D230 G234 F235 | M214-D216 PolarHBondContact O-N 2.96Å; D216-D230 PolarHBondContact N-OD1 3.19Å; D216-D230 VanDerWaalsContact N-OD1 3.12Å; D216-G234 WeakPolarHBondContact CB-O 3.1Å; D216-G234 VanDerWaalsContact OD2-CA 3.27Å; D216-G234 WeakPolarHBondContact OD2-CA 3.07Å; D216-G234 PolarHBondContact OD2-N 3.01Å; D216-F235 HydrophobicContact CB-CB 3.96Å; D216-F235 HydrophobicContact CB-CD1 4.38Å |
| 217 | C | 94.6 | Very high | 94 | Very high | 22 Ų | 22 | 76.5 Ų | 76.5 | 15% | 0.149 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -10 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 114 | D215 S219 Q220 C228 D230 | D215-C217 PolarHBondContact O-N 3.21Å; D215-C217 VanDerWaalsContact OD1-CA 3.31Å; D215-C217 WeakPolarHBondContact OD1-CA 3.48Å; D215-C217 WeakPolarHBondContact OD1-CB 3.34Å; D215-C217 PolarHBondContact OD1-N 3.08Å; C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.16Å; C217-Q220 WeakPolarHBondContact O-CA 3.32Å; C217-Q220 PolarHBondContact O-N 3.28Å; C217-C228 WeakPolarHBondContact CA-SG 3.13Å; C217-C228 HydrophobicContact CB-CB 3.67Å; C217-C228 WeakPolarHBondContact CB-SG 2.99Å; C217-C228 VanDerWaalsContact SG-C 3.54Å; C217-C228 WeakPolarHBondContact SG-CB 3.46Å; C217-C228 CovalentContact SG-SG 2.03Å; C217-C228 PolarHBondContact SG-SG 3.46Å; C217-D230 PolarHBondContact SG-N 2.93Å; C217-D230 VanDerWaalsContact SG-N 3.37Å |
| 218 | A | 93.3 | Very high | 94.2 | Very high | 71 Ų | 71 | 76 Ų | 76 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D215 Q220 | D215-A218 HydrophobicContact CB-CB 4.32Å; D215-A218 WeakPolarHBondContact O-CB 3.42Å; D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 2.96Å; A218-Q220 PolarHBondContact O-N 3.17Å |
| 219 | S | 93.6 | Very high | 94.2 | Very high | 97 Ų | 97 | 70.6 Ų | 70.6 | 68% | 0.678 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.3 | 176.3 | 65.3 | 0 | 0 | 0 | 0 | 114.3 | C217 | C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.16Å |
| 220 | Q | 94.1 | Very high | 94.1 | Very high | 157 Ų | 157 | 69.5 Ų | 69.5 | 73% | 0.734 | 38% | 0.384 | S | S | * | . | trans | 51.2 | 58.5 | -174.2 | -57.4 | 178.7 | 26.3 | 0 | 0 | 113 | C217 A218 C222 | C217-Q220 WeakPolarHBondContact O-CA 3.32Å; C217-Q220 PolarHBondContact O-N 3.28Å; A218-Q220 PolarHBondContact O-N 3.17Å; Q220-C222 VanDerWaalsContact C-N 3.26Å; Q220-C222 PolarHBondContact O-N 2.92Å | ||
| 221 | P | 95.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 75.5 Ų | 75.5 | 12% | 0.117 | 41% | 0.406 | C | S | . | . | trans | -69.4 | -23.5 | -173.7 | 28.4 | -35 | 0 | 0 | 0 | 113.3 | R223 F235 T247 | P221-R223 PolarHBondContact O-N 2.79Å; P221-F235 HydrophobicContact CB-CD1 4.17Å; P221-F235 HydrophobicContact CB-CD2 4.05Å; P221-F235 HydrophobicContact CB-CE1 3.73Å; P221-F235 HydrophobicContact CB-CE2 3.6Å; P221-F235 HydrophobicContact CB-CG 4.33Å; P221-F235 HydrophobicContact CB-CZ 3.44Å; P221-F235 VanDerWaalsContact CB-CZ 3.44Å; P221-F235 HydrophobicContact CG-CB 4.39Å; P221-F235 HydrophobicContact CG-CD1 3.74Å; P221-F235 HydrophobicContact CG-CD2 3.53Å; P221-F235 HydrophobicContact CG-CE1 3.85Å; P221-F235 HydrophobicContact CG-CE2 3.65Å; P221-F235 HydrophobicContact CG-CG 3.59Å; P221-F235 HydrophobicContact CG-CZ 3.81Å; P221-T247 WeakPolarHBondContact O-CB 3.41Å; P221-T247 WeakPolarHBondContact O-CG2 3.5Å | ||
| 222 | C | 96.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 74.2 Ų | 74.2 | 13% | 0.128 | 41% | 0.405 | C | S | . | . | trans | -78.7 | 121.1 | -178.7 | -52.7 | 0 | 0 | 0 | 0 | 112.1 | Q220 C228 C237 | Q220-C222 VanDerWaalsContact C-N 3.26Å; Q220-C222 PolarHBondContact O-N 2.92Å; C222-C228 HydrophobicContact CB-CB 4.43Å; C222-C228 WeakPolarHBondContact SG-CA 3.21Å; C222-C228 WeakPolarHBondContact SG-CB 3.05Å; C222-C228 VanDerWaalsContact SG-SG 3.7Å; C222-C237 WeakPolarHBondContact CA-SG 3.34Å; C222-C237 HydrophobicContact CB-CB 3.81Å; C222-C237 WeakPolarHBondContact CB-SG 3.14Å; C222-C237 WeakPolarHBondContact SG-CA 3.06Å; C222-C237 WeakPolarHBondContact SG-CB 3.02Å; C222-C237 CovalentContact SG-SG 2.02Å; C222-C237 PolarHBondContact SG-SG 3.37Å | ||
| 223 | R | 95.2 | Very high | 93 | Very high | 159 Ų | 159 | 72.2 Ų | 72.2 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | trans | -88.2 | 172.6 | 179.3 | -56.8 | -61.4 | -175.9 | 171.7 | -1.2 | 111.8 | P221 G225 G226 T247 | P221-R223 PolarHBondContact O-N 2.79Å; R223-G225 PolarHBondContact O-N 3.09Å; R223-G226 PolarHBondContact O-N 3.21Å; R223-T247 WeakPolarHBondContact CB-O 2.98Å; R223-T247 PolarHBondContact N-O 3.1Å | ||
| 224 | N | 94.1 | Very high | 92.9 | Very high | 79 Ų | 79 | 70.8 Ų | 70.8 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.5 | 171.1 | -59.5 | -41.5 | 0 | 0 | 0 | 114.7 | G226 F243 C248 | N224-G226 VanDerWaalsContact C-N 3.29Å; N224-G226 PolarHBondContact O-N 3.4Å; N224-F243 HydrophobicContact CB-CD1 3.59Å; N224-F243 HydrophobicContact CB-CE1 3.52Å; N224-F243 HydrophobicContact CB-CG 4.15Å; N224-F243 HydrophobicContact CB-CZ 4.01Å; N224-F243 VanDerWaalsContact CG-CE1 3.42Å; N224-F243 WeakPolarHBondContact ND2-CD1 3.16Å; N224-F243 WeakPolarHBondContact ND2-CE1 3.46Å; N224-C248 PolarHBondContact ND2-O 3.2Å |
| 225 | G | 90.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 22.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R223 R240 | R223-G225 PolarHBondContact O-N 3.09Å; G225-R240 PolarHBondContact O-NE 2.75Å |
| 226 | G | 94.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 71.8 Ų | 71.8 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 148 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R223 N224 L238 | R223-G226 PolarHBondContact O-N 3.21Å; N224-G226 VanDerWaalsContact C-N 3.29Å; N224-G226 PolarHBondContact O-N 3.4Å; G226-L238 CarbonylContact C-O 3.39Å; G226-L238 VanDerWaalsContact CA-O 3.3Å; G226-L238 WeakPolarHBondContact CA-O 3.34Å |
| 227 | R | 96.2 | Very high | 93.2 | Very high | 173 Ų | 173 | 70.4 Ų | 70.4 | 65% | 0.653 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.7 | 177.4 | 178.3 | 178.1 | 176.3 | -172.1 | -0.5 | 109.7 | L238 | R227-L238 HydrophobicContact CB-CB 4.3Å; R227-L238 PolarHBondContact N-O 2.9Å; R227-L238 PolarHBondContact O-N 2.03Å |
| 228 | C | 97.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 72.6 Ų | 72.6 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 138.1 | 174.6 | -164.5 | 0 | 0 | 0 | 0 | 111.1 | C217 C222 | C217-C228 WeakPolarHBondContact CA-SG 3.13Å; C217-C228 HydrophobicContact CB-CB 3.67Å; C217-C228 WeakPolarHBondContact CB-SG 2.99Å; C217-C228 VanDerWaalsContact SG-C 3.54Å; C217-C228 WeakPolarHBondContact SG-CB 3.46Å; C217-C228 CovalentContact SG-SG 2.03Å; C217-C228 PolarHBondContact SG-SG 3.46Å; C222-C228 HydrophobicContact CB-CB 4.43Å; C222-C228 WeakPolarHBondContact SG-CA 3.21Å; C222-C228 WeakPolarHBondContact SG-CB 3.05Å; C222-C228 VanDerWaalsContact SG-SG 3.7Å |
| 229 | L | 95.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 71.3 Ų | 71.3 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119 | 170 | -60.4 | 177.6 | 0 | 0 | 0 | 108.4 | F235 R236 L238 | L229-F235 CarbonylContact O-C 3.57Å; L229-F235 WeakPolarHBondContact O-CA 3.34Å; L229-R236 HydrophobicContact CB-CB 4.45Å; L229-R236 WeakPolarHBondContact CB-O 3.41Å; L229-R236 PolarHBondContact N-O 3.23Å; L229-R236 PolarHBondContact O-N 2.03Å; L229-L238 HydrophobicContact CD1-CD1 3.79Å; L229-L238 HydrophobicContact CD1-CD2 4.09Å; L229-L238 HydrophobicContact CD1-CG 3.79Å; L229-L238 HydrophobicContact CD2-CD1 4.27Å; L229-L238 HydrophobicContact CG-CD1 4.1Å; L229-L238 HydrophobicContact CG-CG 4.12Å |
| 230 | D | 92.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 35% | 0.353 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 142.1 | 173.9 | -175.6 | 34.6 | 0 | 0 | 0 | 110.5 | N213 D216 C217 | N213-D230 PolarHBondContact ND2-OD2 3.27Å; D216-D230 PolarHBondContact N-OD1 3.19Å; D216-D230 VanDerWaalsContact N-OD1 3.12Å; C217-D230 PolarHBondContact SG-N 2.93Å; C217-D230 VanDerWaalsContact SG-N 3.37Å |
| 231 | R | 89 | Confident | 93.2 | Very high | 126 Ų | 126 | 72.7 Ų | 72.7 | 48% | 0.475 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 165.6 | 175.8 | -58.8 | -174.1 | 159.9 | -146.8 | -12.5 | 109.2 | N213 G233 G234 | N213-R231 PolarHBondContact ND2-O 3.32Å; R231-G233 PolarHBondContact O-N 3.34Å; R231-G234 CarbonylContact C-O 3.57Å; R231-G234 VanDerWaalsContact CA-O 3.28Å; R231-G234 WeakPolarHBondContact CA-O 3Å; R231-G234 WeakPolarHBondContact CB-O 2.98Å; R231-G234 PolarHBondContact N-O 3.26Å |
| 232 | A | 86.6 | Confident | 92.7 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 107.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F205 N213 | F205-A232 HydrophobicContact CE2-CB 3.61Å; F205-A232 HydrophobicContact CZ-CB 3.79Å; N213-A232 WeakPolarHBondContact OD1-CA 3.11Å |
| 233 | G | 84.3 | Confident | 92.5 | Very high | 34 Ų | 34 | 75.7 Ų | 75.7 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 25.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G204 R231 | G204-G233 VanDerWaalsContact CA-CA 3.47Å; R231-G233 PolarHBondContact O-N 3.34Å |
| 234 | G | 89.2 | Confident | 92.3 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 23% | 0.227 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -176.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D216 R231 | D216-G234 WeakPolarHBondContact CB-O 3.1Å; D216-G234 VanDerWaalsContact OD2-CA 3.27Å; D216-G234 WeakPolarHBondContact OD2-CA 3.07Å; D216-G234 PolarHBondContact OD2-N 3.01Å; R231-G234 CarbonylContact C-O 3.57Å; R231-G234 VanDerWaalsContact CA-O 3.28Å; R231-G234 WeakPolarHBondContact CA-O 3Å; R231-G234 WeakPolarHBondContact CB-O 2.98Å; R231-G234 PolarHBondContact N-O 3.26Å |
| 235 | F | 94.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 70.2 Ų | 70.2 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 165.6 | 179.6 | 64.2 | -87.8 | 0 | 0 | 0 | 111.6 | D216 P221 L229 T247 | D216-F235 HydrophobicContact CB-CB 3.96Å; D216-F235 HydrophobicContact CB-CD1 4.38Å; P221-F235 HydrophobicContact CB-CD1 4.17Å; P221-F235 HydrophobicContact CB-CD2 4.05Å; P221-F235 HydrophobicContact CB-CE1 3.73Å; P221-F235 HydrophobicContact CB-CE2 3.6Å; P221-F235 HydrophobicContact CB-CG 4.33Å; P221-F235 HydrophobicContact CB-CZ 3.44Å; P221-F235 VanDerWaalsContact CB-CZ 3.44Å; P221-F235 HydrophobicContact CG-CB 4.39Å; P221-F235 HydrophobicContact CG-CD1 3.74Å; P221-F235 HydrophobicContact CG-CD2 3.53Å; P221-F235 HydrophobicContact CG-CE1 3.85Å; P221-F235 HydrophobicContact CG-CE2 3.65Å; P221-F235 HydrophobicContact CG-CG 3.59Å; P221-F235 HydrophobicContact CG-CZ 3.81Å; L229-F235 CarbonylContact O-C 3.57Å; L229-F235 WeakPolarHBondContact O-CA 3.34Å; F235-T247 HydrophobicContact CE2-CG2 4.01Å; F235-T247 HydrophobicContact CZ-CG2 3.97Å |
| 236 | R | 95.4 | Very high | 92.4 | Very high | 129 Ų | 129 | 73.6 Ų | 73.6 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 128 | 168 | -179.5 | 178.3 | 177.8 | -169.3 | 1 | 110.7 | L229 | L229-R236 HydrophobicContact CB-CB 4.45Å; L229-R236 WeakPolarHBondContact CB-O 3.41Å; L229-R236 PolarHBondContact N-O 3.23Å; L229-R236 PolarHBondContact O-N 2.03Å |
| 237 | C | 96.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 74.6 Ų | 74.6 | 10% | 0.101 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 132.8 | 174.2 | -60.8 | 0 | 0 | 0 | 0 | 112 | C222 T246 C248 | C222-C237 WeakPolarHBondContact CA-SG 3.34Å; C222-C237 HydrophobicContact CB-CB 3.81Å; C222-C237 WeakPolarHBondContact CB-SG 3.14Å; C222-C237 WeakPolarHBondContact SG-CA 3.06Å; C222-C237 WeakPolarHBondContact SG-CB 3.02Å; C222-C237 CovalentContact SG-SG 2.02Å; C222-C237 PolarHBondContact SG-SG 3.37Å; C237-T246 WeakPolarHBondContact CB-O 3.32Å; C237-T246 PolarHBondContact SG-O 3.19Å; C237-C248 WeakPolarHBondContact CB-SG 3.41Å |
| 238 | L | 96.2 | Very high | 92.4 | Very high | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 104.8 | 166 | -63.3 | -180 | 0 | 0 | 0 | 108.6 | G226 R227 L229 | G226-L238 CarbonylContact C-O 3.39Å; G226-L238 VanDerWaalsContact CA-O 3.3Å; G226-L238 WeakPolarHBondContact CA-O 3.34Å; R227-L238 HydrophobicContact CB-CB 4.3Å; R227-L238 PolarHBondContact N-O 2.9Å; R227-L238 PolarHBondContact O-N 2.03Å; L229-L238 HydrophobicContact CD1-CD1 3.79Å; L229-L238 HydrophobicContact CD1-CD2 4.09Å; L229-L238 HydrophobicContact CD1-CG 3.79Å; L229-L238 HydrophobicContact CD2-CD1 4.27Å; L229-L238 HydrophobicContact CG-CD1 4.1Å; L229-L238 HydrophobicContact CG-CG 4.12Å |
| 239 | C | 95.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 68.7 Ų | 68.7 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -76 | 148.2 | -176.3 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | F243 C248 | C239-F243 HydrophobicContact CB-CB 4.13Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; C239-C248 WeakPolarHBondContact CA-SG 3.39Å; C239-C248 HydrophobicContact CB-CB 3.77Å; C239-C248 WeakPolarHBondContact CB-SG 3.43Å; C239-C248 PolarHBondContact N-SG 3.35Å; C239-C248 WeakPolarHBondContact SG-CA 3.42Å; C239-C248 WeakPolarHBondContact SG-CB 3.49Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.04Å |
| 240 | R | 92.8 | Very high | 92.2 | Very high | 155 Ų | 155 | 68.7 Ų | 68.7 | 59% | 0.585 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 156 | 169 | -70 | -172.9 | -179.2 | -162.5 | -0.5 | 110.1 | G225 G242 F243 | G225-R240 PolarHBondContact O-NE 2.75Å; R240-G242 PolarHBondContact O-N 2.8Å; R240-F243 HydrophobicContact CB-CD2 4.21Å; R240-F243 PolarHBondContact O-N 2.03Å |
| 241 | P | 90.3 | Very high | 91.9 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 83% | 0.831 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 129.2 | 179.4 | -27.5 | 35.1 | 0 | 0 | 0 | 112.2 | F243 | P241-F243 PolarHBondContact O-N 3.12Š|
| 242 | G | 85.6 | Confident | 91.5 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 44% | 0.443 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -17.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R240 P252 | R240-G242 PolarHBondContact O-N 2.8Å; G242-P252 WeakPolarHBondContact O-CA 3.35Å; G242-P252 WeakPolarHBondContact O-CB 3Å; G242-P252 WeakPolarHBondContact O-CD 3.02Å; G242-P252 WeakPolarHBondContact O-CG 3.4Å; G242-P252 VanDerWaalsContact O-N 3.09Å |
| 243 | F | 91.8 | Very high | 91 | Very high | 56 Ų | 56 | 66.9 Ų | 66.9 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | trans | -89.2 | 140.8 | 173.7 | -70.1 | -92.9 | 0 | 0 | 0 | 111.4 | N224 C239 R240 P241 C248 T250 P251 P252 | N224-F243 HydrophobicContact CB-CD1 3.59Å; N224-F243 HydrophobicContact CB-CE1 3.52Å; N224-F243 HydrophobicContact CB-CG 4.15Å; N224-F243 HydrophobicContact CB-CZ 4.01Å; N224-F243 VanDerWaalsContact CG-CE1 3.42Å; N224-F243 WeakPolarHBondContact ND2-CD1 3.16Å; N224-F243 WeakPolarHBondContact ND2-CE1 3.46Å; C239-F243 HydrophobicContact CB-CB 4.13Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; R240-F243 HydrophobicContact CB-CD2 4.21Å; R240-F243 PolarHBondContact O-N 2.03Å; P241-F243 PolarHBondContact O-N 3.12Å; F243-C248 HydrophobicContact CB-CB 4.5Å; F243-T250 WeakPolarHBondContact CA-O 3.17Å; F243-T250 WeakPolarHBondContact CD1-O 2.97Å; F243-P251 HydrophobicContact CE1-CB 4.18Å; F243-P252 HydrophobicContact CE2-CG 4.43Å | ||
| 244 | T | 91.8 | Very high | 90.2 | Very high | 86 Ų | 86 | 71.1 Ų | 71.1 | 53% | 0.528 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -132.1 | 178.6 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | C248 E249 T250 | T244-C248 CarbonylContact O-C 3.53Å; T244-C248 WeakPolarHBondContact O-CA 3.3Å; T244-E249 PolarHBondContact O-N 3.37Å; T244-T250 WeakPolarHBondContact CA-OG1 3.21Å; T244-T250 WeakPolarHBondContact CB-OG1 3.48Å; T244-T250 PolarHBondContact N-O 3.06Å; T244-T250 PolarHBondContact N-OG1 2.76Å; T244-T250 PolarHBondContact O-N 3.12Å; T244-T250 PolarHBondContact O-OG1 3.24Å; T244-T250 PolarHBondContact OG1-OG1 3.28Å |
| 245 | G | 92.4 | Very high | 88.8 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 99.2 | 164 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T247 C248 E249 | G245-T247 PolarHBondContact O-N 3.1Å; G245-C248 PolarHBondContact O-N 3.39Å; G245-E249 WeakPolarHBondContact CA-OE1 2.95Å |
| 246 | T | 93.9 | Very high | 87 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 72% | 0.718 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.8 | -176.2 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | C237 | C237-T246 WeakPolarHBondContact CB-O 3.32Å; C237-T246 PolarHBondContact SG-O 3.19Å |
| 247 | T | 95.8 | Very high | 85 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 22% | 0.215 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 14.3 | 176 | 57.9 | 0 | 0 | 0 | 0 | 113 | P221 R223 F235 G245 E249 | P221-T247 WeakPolarHBondContact O-CB 3.41Å; P221-T247 WeakPolarHBondContact O-CG2 3.5Å; R223-T247 WeakPolarHBondContact CB-O 2.98Å; R223-T247 PolarHBondContact N-O 3.1Å; F235-T247 HydrophobicContact CE2-CG2 4.01Å; F235-T247 HydrophobicContact CZ-CG2 3.97Å; G245-T247 PolarHBondContact O-N 3.1Å; T247-E249 VanDerWaalsContact CA-OE2 3.23Å; T247-E249 WeakPolarHBondContact CA-OE2 3.1Å; T247-E249 WeakPolarHBondContact CB-OE2 3.11Å; T247-E249 PolarHBondContact N-OE2 3Å; T247-E249 PolarHBondContact O-N 2.88Å; T247-E249 PolarHBondContact OG1-OE2 3.01Å |
| 248 | C | 95.8 | Very high | 83.1 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 50% | 0.497 | C | S | . | . | S | Bend | trans | 58.8 | 28.6 | -175.3 | -49.8 | 0 | 0 | 0 | 0 | 114.3 | N224 C237 C239 F243 T244 G245 | N224-C248 PolarHBondContact ND2-O 3.2Å; C237-C248 WeakPolarHBondContact CB-SG 3.41Å; C239-C248 WeakPolarHBondContact CA-SG 3.39Å; C239-C248 HydrophobicContact CB-CB 3.77Å; C239-C248 WeakPolarHBondContact CB-SG 3.43Å; C239-C248 PolarHBondContact N-SG 3.35Å; C239-C248 WeakPolarHBondContact SG-CA 3.42Å; C239-C248 WeakPolarHBondContact SG-CB 3.49Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.04Å; F243-C248 HydrophobicContact CB-CB 4.5Å; T244-C248 CarbonylContact O-C 3.53Å; T244-C248 WeakPolarHBondContact O-CA 3.3Å; G245-C248 PolarHBondContact O-N 3.39Å |
| 249 | E | 94.8 | Very high | 81.1 | Confident | 83 Ų | 83 | 80.5 Ų | 80.5 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | trans | -77.2 | -26.4 | -175.9 | 68.7 | -71.6 | 169.7 | 0 | 0 | 113.5 | T244 G245 T247 | T244-E249 PolarHBondContact O-N 3.37Å; G245-E249 WeakPolarHBondContact CA-OE1 2.95Å; T247-E249 VanDerWaalsContact CA-OE2 3.23Å; T247-E249 WeakPolarHBondContact CA-OE2 3.1Å; T247-E249 WeakPolarHBondContact CB-OE2 3.11Å; T247-E249 PolarHBondContact N-OE2 3Å; T247-E249 PolarHBondContact O-N 2.88Å; T247-E249 PolarHBondContact OG1-OE2 3.01Å | ||
| 250 | T | 92.7 | Very high | 79 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 33% | 0.325 | 53% | 0.528 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 124.6 | -176.9 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | F243 T244 | F243-T250 WeakPolarHBondContact CA-O 3.17Å; F243-T250 WeakPolarHBondContact CD1-O 2.97Å; T244-T250 WeakPolarHBondContact CA-OG1 3.21Å; T244-T250 WeakPolarHBondContact CB-OG1 3.48Å; T244-T250 PolarHBondContact N-O 3.06Å; T244-T250 PolarHBondContact N-OG1 2.76Å; T244-T250 PolarHBondContact O-N 3.12Å; T244-T250 PolarHBondContact O-OG1 3.24Å; T244-T250 PolarHBondContact OG1-OG1 3.28Å |
| 251 | P | 86.5 | Confident | 76.9 | Confident | 90 Ų | 90 | 81.5 Ų | 81.5 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 163.5 | 179.9 | 31.3 | -34.8 | 0 | 0 | 0 | 112 | F243 S253 | F243-P251 HydrophobicContact CE1-CB 4.18Å; P251-S253 PolarHBondContact O-N 2.03Å |
| 252 | P | 80.3 | Confident | 74.4 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 41% | 0.409 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 122.7 | 175.3 | -1.3 | 4.7 | 0 | 0 | 0 | 111.4 | G242 F243 | G242-P252 WeakPolarHBondContact O-CA 3.35Å; G242-P252 WeakPolarHBondContact O-CB 3Å; G242-P252 WeakPolarHBondContact O-CD 3.02Å; G242-P252 WeakPolarHBondContact O-CG 3.4Å; G242-P252 VanDerWaalsContact O-N 3.09Å; F243-P252 HydrophobicContact CE2-CG 4.43Å |
| 253 | S | 76.1 | Confident | 72.5 | Confident | 65 Ų | 65 | 89 Ų | 89 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.7 | 168.7 | 61.1 | 0 | 0 | 0 | 0 | 109.9 | P251 A255 N256 | P251-S253 PolarHBondContact O-N 2.03Å; S253-A255 PolarHBondContact O-N 3.29Å; S253-N256 PolarHBondContact O-N 2.96Å |
| 254 | P | 66.4 | Low | 70.1 | Confident | 124 Ų | 124 | 93 Ų | 93 | 81% | 0.805 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -59.9 | -16.6 | -179.4 | 21.1 | -31.2 | 0 | 0 | 0 | 114 | N256 | P254-N256 VanDerWaalsContact C-N 3.28Å; P254-N256 PolarHBondContact O-N 3.18Å |
| 255 | A | 61.1 | Low | 67.7 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 77% | 0.769 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -72.2 | -14.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S253 | S253-A255 PolarHBondContact O-N 3.29Š|
| 256 | N | 55.2 | Low | 65.2 | Low | 139 Ų | 139 | 102.5 Ų | 102.5 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -115.9 | 8.3 | -179.8 | -109.2 | 1.9 | 0 | 0 | 0 | 113.7 | S253 P254 S258 | S253-N256 PolarHBondContact O-N 2.96Å; P254-N256 VanDerWaalsContact C-N 3.28Å; P254-N256 PolarHBondContact O-N 3.18Å; N256-S258 PolarHBondContact O-N 3.06Å |
| 257 | A | 52.8 | Low | 63.1 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | trans | -77.7 | 70 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P259 | A257-P259 VanDerWaalsContact O-CD 3.27Å; A257-P259 WeakPolarHBondContact O-CD 3.02Å | ||
| 258 | S | 56.6 | Low | 60.3 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -67.2 | 117.2 | 161.3 | -63.5 | 0 | 0 | 0 | 0 | 106.9 | N256 | N256-S258 PolarHBondContact O-N 3.06Š| ||
| 259 | P | 55.9 | Low | 57.8 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -58.2 | 149.5 | 172.5 | 24 | -31.3 | 0 | 0 | 0 | 109.1 | A257 V261 | A257-P259 VanDerWaalsContact O-CD 3.27Å; A257-P259 WeakPolarHBondContact O-CD 3.02Å; P259-V261 PolarHBondContact O-N 3.45Å | ||
| 260 | P | 51.1 | Low | 55.4 | Low | 102 Ų | 102 | 119.9 Ų | 119.9 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | trans | -58.5 | 109.7 | 173.6 | 24.4 | -31.8 | 0 | 0 | 0 | 108.5 | W262 | P260-W262 PolarHBondContact O-N 2.8Š| ||
| 261 | V | 48.2 | Very low | 52.7 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | trans | -75 | 95.3 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | P259 T263 | P259-V261 PolarHBondContact O-N 3.45Å; V261-T263 HydrophobicContact CG1-CG2 3.79Å; V261-T263 PolarHBondContact O-N 3.49Å | ||
| 262 | W | 37.6 | Very low | 51 | Low | 216 Ų | 216 | 130.4 Ų | 130.4 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -78.8 | 94.6 | 164 | -57.5 | 92.7 | 0 | 0 | 0 | 107.7 | P260 T264 | P260-W262 PolarHBondContact O-N 2.8Å; W262-T264 PolarHBondContact O-N 3.29Å; W262-T264 VanDerWaalsContact O-N 3.12Å | ||
| 263 | T | 45.5 | Very low | 49.2 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -74.7 | 97 | 166 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | V261 R265 | V261-T263 HydrophobicContact CG1-CG2 3.79Å; V261-T263 PolarHBondContact O-N 3.49Å; T263-R265 PolarHBondContact O-N 3.09Å; T263-R265 VanDerWaalsContact O-N 3.15Å | ||
| 264 | T | 42.7 | Very low | 47.5 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -74.4 | 97.5 | 160.6 | 46.9 | 0 | 0 | 0 | 0 | 107.6 | W262 A266 | W262-T264 PolarHBondContact O-N 3.29Å; W262-T264 VanDerWaalsContact O-N 3.12Å; T264-A266 PolarHBondContact O-N 2.93Å | ||
| 265 | R | 41.4 | Very low | 46.3 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -84.4 | 115.4 | 173.5 | -142.7 | -175.6 | -120.9 | -173.7 | 0.9 | 108.9 | T263 | T263-R265 PolarHBondContact O-N 3.09Å; T263-R265 VanDerWaalsContact O-N 3.15Å | ||
| 266 | A | 39.9 | Very low | 44.9 | Very low | 84 Ų | 84 | 149.7 Ų | 149.7 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | trans | 68.3 | 120.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | T264 D268 | T264-A266 PolarHBondContact O-N 2.93Å; A266-D268 PolarHBondContact O-N 2.92Å | ||
| 267 | R | 49.1 | Very low | 44 | Very low | 250 Ų | 250 | 149.1 Ų | 149.1 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | trans | -50.1 | 117.2 | 144.6 | -103.9 | 174.4 | -173 | 155.7 | 3.1 | 107.7 | ||||
| 268 | D | 36.8 | Very low | 42.9 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -103.5 | 106.8 | 165.6 | -151.1 | 2.9 | 0 | 0 | 0 | 107.9 | A266 | A266-D268 PolarHBondContact O-N 2.92Š| ||
| 269 | T | 43.7 | Very low | 41.7 | Very low | 123 Ų | 123 | 155 Ų | 155 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -71.1 | 121.8 | 166.8 | 42.5 | 0 | 0 | 0 | 0 | 107.4 | H271 | T269-H271 PolarHBondContact O-N 1.99Š| ||
| 270 | G | 43.1 | Very low | 40.5 | Very low | 78 Ų | 78 | 155.3 Ų | 155.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -41.3 | 128.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 271 | H | 37.8 | Very low | 39.5 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -146.5 | 125.7 | 143.4 | -150.6 | 63 | 0 | 0 | 0 | 108.3 | T269 D273 | T269-H271 PolarHBondContact O-N 1.99Å; H271-D273 PolarHBondContact O-N 3.17Å; H271-D273 VanDerWaalsContact O-N 3.08Å | ||
| 272 | H | 50.2 | Low | 38.7 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -68.8 | 103.6 | 177 | -79.1 | -78.7 | 0 | 0 | 0 | 109.3 | ||||
| 273 | D | 41.2 | Very low | 38.3 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -142.2 | 128 | 163 | -140.4 | -8.8 | 0 | 0 | 0 | 110.1 | H271 R275 | H271-D273 PolarHBondContact O-N 3.17Å; H271-D273 VanDerWaalsContact O-N 3.08Å; D273-R275 VanDerWaalsContact C-N 3.28Å; D273-R275 PolarHBondContact O-N 3.41Å | ||
| 274 | N | 41.3 | Very low | 37.9 | Very low | 169 Ų | 169 | 160.5 Ų | 160.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 71.3 | -169.6 | -88.3 | -26.7 | 0 | 0 | 0 | 112.4 | ||||
| 275 | R | 40.5 | Very low | 37.3 | Very low | 227 Ų | 227 | 156.3 Ų | 156.3 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 114.8 | 165.9 | -83.7 | -177.9 | 179.1 | 169 | 1.8 | 110.6 | D273 V277 | D273-R275 VanDerWaalsContact C-N 3.28Å; D273-R275 PolarHBondContact O-N 3.41Å; R275-V277 PolarHBondContact O-N 3.23Å | ||
| 276 | K | 32.8 | Very low | 37.2 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -54.7 | 109.7 | 168.3 | -70.2 | 179.2 | 178.9 | 177.6 | 0 | 109.6 | K278 | K276-K278 PolarHBondContact O-N 2.92Š| ||
| 277 | V | 35.4 | Very low | 36.8 | Very low | 127 Ų | 127 | 149 Ų | 149 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 113.7 | 167.7 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | R275 V279 | R275-V277 PolarHBondContact O-N 3.23Å; V277-V279 HydrophobicContact CG1-CG2 4.14Å; V277-V279 PolarHBondContact O-N 3.37Å; V277-V279 VanDerWaalsContact O-N 3.15Å | ||
| 278 | K | 30.1 | Very low | 35.9 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -78.3 | 95.7 | 173.7 | -171.4 | 177.9 | -177 | 177.2 | 0 | 108.7 | K276 T280 | K276-K278 PolarHBondContact O-N 2.92Å; K278-T280 HydrophobicContact CD-CG2 4.49Å; K278-T280 HydrophobicContact CG-CG2 4.3Å; K278-T280 PolarHBondContact O-N 2.89Å | ||
| 279 | V | 31.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 141 Ų | 141 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | -81.6 | 103 | 168.5 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | V277 V281 | V277-V279 HydrophobicContact CG1-CG2 4.14Å; V277-V279 PolarHBondContact O-N 3.37Å; V277-V279 VanDerWaalsContact O-N 3.15Å; V279-V281 HydrophobicContact CG1-CG2 4.29Å; V279-V281 PolarHBondContact O-N 3.25Å | ||
| 280 | T | 29.6 | Very low | 35.6 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | -86 | 102.3 | 167.3 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | K278 K282 | K278-T280 HydrophobicContact CD-CG2 4.49Å; K278-T280 HydrophobicContact CG-CG2 4.3Å; K278-T280 PolarHBondContact O-N 2.89Å; T280-K282 PolarHBondContact O-N 3.45Å | ||
| 281 | V | 31.3 | Very low | 35.3 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 108.3 | 161.5 | -177.2 | 0 | 0 | 0 | 0 | 106.4 | V279 E283 | V279-V281 HydrophobicContact CG1-CG2 4.29Å; V279-V281 PolarHBondContact O-N 3.25Å; V281-E283 PolarHBondContact O-N 3.21Å | ||
| 282 | K | 30.1 | Very low | 35 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -78.5 | 109.8 | 170.1 | -126.8 | -178.8 | -177.2 | -178.5 | 0 | 106.7 | T280 H284 | T280-K282 PolarHBondContact O-N 3.45Å; K282-H284 PolarHBondContact O-N 2.66Å | ||
| 283 | E | 29.8 | Very low | 34.3 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -62.3 | 104 | 169.1 | -134 | -178.7 | -169.6 | 0 | 0 | 107.8 | V281 G285 | V281-E283 PolarHBondContact O-N 3.21Å; E283-G285 PolarHBondContact O-N 3.04Å | ||
| 284 | H | 36.9 | Very low | 33.8 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -89.3 | 88.7 | 164.8 | -95.2 | -81.2 | 0 | 0 | 0 | 107.3 | K282 | K282-H284 PolarHBondContact O-N 2.66Š| ||
| 285 | G | 30.5 | Very low | 33.5 | Very low | 52 Ų | 52 | 138.3 Ų | 138.3 | 54% | 0.536 | 76% | 0.763 | S | S | . | * | S | Bend | trans | 142 | 107.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E283 | E283-G285 PolarHBondContact O-N 3.04Š|
| 286 | A | 38.5 | Very low | 33.2 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 66.1 | 110.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 287 | G | 31.8 | Very low | 33.4 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 166.2 | 57.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L289 | G287-L289 PolarHBondContact O-N 3.05Š| ||
| 288 | G | 31.1 | Very low | 33.5 | Very low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | trans | -60.4 | 121.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | S290 | G288-S290 PolarHBondContact O-N 3.09Š| ||
| 289 | L | 34.9 | Very low | 34 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -63.5 | 91 | 165.3 | -86.3 | 85.5 | 0 | 0 | 0 | 108 | G287 | G287-L289 PolarHBondContact O-N 3.05Š| ||
| 290 | S | 39.6 | Very low | 34.5 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | trans | -138.7 | 79.4 | 163.9 | 56.8 | 0 | 0 | 0 | 0 | 106.6 | G288 | G288-S290 PolarHBondContact O-N 3.09Š| ||
| 291 | D | 37.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 120 Ų | 120 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | 171 | 67.1 | 147 | -83.8 | -21 | 0 | 0 | 0 | 109.1 | ||||
| 292 | L | 31.3 | Very low | 36.1 | Very low | 153 Ų | 153 | 122 Ų | 122 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | trans | -95 | 96.5 | 146.7 | -101 | 118 | 0 | 0 | 0 | 105.8 | L294 | L292-L294 PolarHBondContact O-N 2.7Š| ||
| 293 | Q | 34 | Very low | 36.9 | Very low | 166 Ų | 166 | 118.6 Ų | 118.6 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -72.2 | 111.4 | 163 | -76.3 | -162.1 | -19.1 | 0 | 0 | 108.2 | V295 | Q293-V295 PolarHBondContact O-N 3.02Š| ||
| 294 | L | 32.3 | Very low | 37.9 | Very low | 144 Ų | 144 | 115.1 Ų | 115.1 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | -70.1 | 102 | 168.5 | -171.5 | 82.4 | 0 | 0 | 0 | 108.1 | L292 V296 | L292-L294 PolarHBondContact O-N 2.7Å; L294-V296 HydrophobicContact CD2-CG2 3.78Å; L294-V296 HydrophobicContact CG-CG2 3.97Å | ||
| 295 | V | 33.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 113.5 Ų | 113.5 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | trans | -92.3 | 102.2 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | Q293 V297 | Q293-V295 PolarHBondContact O-N 3.02Å; V295-V297 HydrophobicContact CG1-CG2 4.05Å | ||
| 296 | V | 34.4 | Very low | 39.7 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 53% | 0.533 | 71% | 0.707 | S | S | . | * | trans | -84.5 | 107.8 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | L294 | L294-V296 HydrophobicContact CD2-CG2 3.78Å; L294-V296 HydrophobicContact CG-CG2 3.97Å | ||
| 297 | V | 36.3 | Very low | 40.2 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 54% | 0.539 | 70% | 0.701 | S | S | . | * | trans | -89.5 | 109.3 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | V295 V299 | V295-V297 HydrophobicContact CG1-CG2 4.05Å; V297-V299 HydrophobicContact CG1-CG2 4.04Å; V297-V299 PolarHBondContact O-N 2Å | ||
| 298 | L | 37.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 57% | 0.571 | 70% | 0.698 | S | S | * | * | B | Isolated β-bridge | trans | -82.8 | 106.5 | 171.5 | -88.4 | 147.2 | 0 | 0 | 0 | 109.2 | L310 | L298-L310 HydrophobicContact CD2-CD2 3.37Å; L298-L310 HydrophobicContact CD2-CG 3.75Å |
| 299 | V | 41.6 | Very low | 41.2 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 52% | 0.515 | 69% | 0.689 | S | S | . | * | trans | -95.6 | 107 | 172 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | V297 T301 | V297-V299 HydrophobicContact CG1-CG2 4.04Å; V297-V299 PolarHBondContact O-N 2Å; V299-T301 HydrophobicContact CG1-CG2 4.14Å | ||
| 300 | L | 42.3 | Very low | 41.4 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | trans | -82.9 | 113.8 | 169.5 | -73.1 | 164.9 | 0 | 0 | 0 | 108.4 | V308 | L300-V308 HydrophobicContact CD2-CG1 3.44Å; L300-V308 VanDerWaalsContact CD2-CG1 3.44Å | ||
| 301 | T | 46.1 | Very low | 41.5 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 56% | 0.564 | 68% | 0.681 | S | S | * | * | trans | -103.5 | 126.2 | 168.4 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | V299 V303 | V299-T301 HydrophobicContact CG1-CG2 4.14Å; T301-V303 PolarHBondContact O-N 2.72Å | ||
| 302 | I | 48.3 | Very low | 41.6 | Very low | 170 Ų | 170 | 113.1 Ų | 113.1 | 87% | 0.872 | 68% | 0.678 | S | S | * | * | trans | -79.4 | 99.4 | 173.5 | -59.6 | 173.3 | 0 | 0 | 0 | 106.7 | ||||
| 303 | V | 47.3 | Very low | 42.1 | Very low | 102 Ų | 102 | 109.4 Ų | 109.4 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | trans | -82.2 | 124.8 | 161.3 | -173.6 | 0 | 0 | 0 | 0 | 106.3 | T301 V305 | T301-V303 PolarHBondContact O-N 2.72Å; V303-V305 PolarHBondContact O-N 3.17Å; V303-V305 VanDerWaalsContact O-N 3.17Å | ||
| 304 | S | 51.3 | Low | 42.1 | Very low | 105 Ų | 105 | 109 Ų | 109 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -45.1 | 122.1 | 179.9 | 2.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 305 | V | 53.1 | Low | 42.4 | Very low | 147 Ų | 147 | 107.7 Ų | 107.7 | 89% | 0.891 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 73.9 | 74.8 | 174.8 | -150.7 | 0 | 0 | 0 | 0 | 115.4 | V303 | V303-V305 PolarHBondContact O-N 3.17Å; V303-V305 VanDerWaalsContact O-N 3.17Å |
| 306 | G | 52 | Low | 42.4 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 96.8 | 14.1 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 307 | V | 48 | Very low | 42.2 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | trans | -137.4 | 125.6 | 171 | -175 | 0 | 0 | 0 | 0 | 111 | ||||
| 308 | V | 40.8 | Very low | 42 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -91.2 | 114.4 | 173.2 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | L300 | L300-V308 HydrophobicContact CD2-CG1 3.44Å; L300-V308 VanDerWaalsContact CD2-CG1 3.44Å | ||
| 309 | A | 43.4 | Very low | 41.7 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 54% | 0.537 | 71% | 0.714 | S | S | . | * | trans | -99.3 | 123.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 310 | L | 39 | Very low | 41.2 | Very low | 133 Ų | 133 | 114.9 Ų | 114.9 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | trans | -83.6 | 116.5 | 168.5 | -93.6 | 92.4 | 0 | 0 | 0 | 109.5 | L298 | L298-L310 HydrophobicContact CD2-CD2 3.37Å; L298-L310 HydrophobicContact CD2-CG 3.75Å | ||
| 311 | T | 42.3 | Very low | 40.6 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | trans | -115.7 | 118.1 | 163 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 312 | A | 38.7 | Very low | 39.9 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | B | Isolated β-bridge | trans | -88.4 | 123.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 313 | A | 41.8 | Very low | 39.1 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | trans | -109.4 | 130 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 314 | L | 34.9 | Very low | 38.2 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -85.1 | 117.3 | 172.1 | -117.5 | 112 | 0 | 0 | 0 | 108.7 | ||||
| 315 | V | 37.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -111.3 | 111.8 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 316 | L | 33.3 | Very low | 36.2 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 118 | 168.6 | -71.9 | 165.8 | 0 | 0 | 0 | 108.3 | ||
| 317 | H | 30.6 | Very low | 35.3 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 123.4 | 168.2 | -103.1 | 4.6 | 0 | 0 | 0 | 110.2 | ||
| 318 | A | 32.8 | Very low | 34.3 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 125.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G320 | A318-G320 PolarHBondContact O-N 2.99Š|
| 319 | P | 31.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.8 | 173.3 | 27.3 | -29.8 | 0 | 0 | 0 | 110.5 | ||
| 320 | G | 30.8 | Very low | 33 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A318 | A318-G320 PolarHBondContact O-N 2.99Š|
| 321 | Q | 30.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 120.7 | 167.4 | -86.8 | -178 | -15.7 | 0 | 0 | 110.4 | R323 | Q321-R323 PolarHBondContact O-N 3.11Š|
| 322 | R | 29.4 | Very low | 32.1 | Very low | 251 Ų | 251 | 141 Ų | 141 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | trans | -68.5 | 114.9 | 156.5 | -73.7 | -171.6 | -171.5 | -157.1 | 3.2 | 108.3 | ||||
| 323 | R | 32.1 | Very low | 31.8 | Very low | 212 Ų | 212 | 142 Ų | 142 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -93.4 | 117.3 | 161.9 | -77.3 | -174.9 | 179.4 | -178.4 | -0.6 | 108.8 | Q321 | Q321-R323 PolarHBondContact O-N 3.11Š| ||
| 324 | G | 28 | Very low | 31.5 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -87.5 | 122.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 325 | H | 32.1 | Very low | 31.2 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | trans | -140.6 | 130.7 | 158.2 | -86.7 | -69.5 | 0 | 0 | 0 | 109.1 | ||||
| 326 | T | 31.3 | Very low | 30.6 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -68.6 | 161.2 | 172.3 | 28.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 327 | P | 32.9 | Very low | 30.4 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -96.5 | 143.4 | -167.3 | 36.4 | -30.5 | 0 | 0 | 0 | 113 | ||||
| 328 | C | 26.2 | Very low | 30.2 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -144.1 | 111.7 | 158 | -81.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 329 | W | 27.4 | Very low | 29.8 | Very low | 240 Ų | 240 | 157.9 Ų | 157.9 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -150.5 | 127.1 | 150.1 | -88.5 | 94.9 | 0 | 0 | 0 | 108.2 | ||||
| 330 | L | 29.6 | Very low | 30.2 | Very low | 168 Ų | 168 | 157.6 Ų | 157.6 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | trans | -179.4 | 118.1 | 130.2 | -97 | 163.5 | 0 | 0 | 0 | 109.9 | ||||
| 331 | S | 27.8 | Very low | 30 | Very low | 107 Ų | 107 | 157.6 Ų | 157.6 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -174.9 | 154.4 | 133.9 | -78.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 332 | P | 35.8 | Very low | 29.8 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | -111.4 | 165.8 | -144.7 | 28.8 | -11.1 | 0 | 0 | 0 | 116.1 | ||||
| 333 | S | 31.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -55.6 | 169.3 | 178.9 | -43.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 334 | P | 36.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 149 Ų | 149 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | -151.9 | 156.1 | 85.2 | 35.7 | -14.7 | 0 | 0 | 0 | 118.8 | |||||
| 335 | R | 28.5 | Very low | 30 | Very low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | 13.9 | 140 | 149.8 | -71.8 | 178 | 178.1 | -176.6 | -0.2 | 122.8 | ||||
| 336 | S | 25.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | 147.2 | 105.5 | 115.8 | 177 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 337 | R | 27.3 | Very low | 29.5 | Very low | 218 Ų | 218 | 157 Ų | 157 | 82% | 0.823 | 81% | 0.814 | S | S | * | * | 73.2 | 107.6 | 96.2 | -126.3 | -172.2 | -146.1 | -161.8 | 4.4 | 117.4 | |||||
| 338 | R | 26.4 | Very low | 29.1 | Very low | 229 Ų | 229 | 158.6 Ų | 158.6 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | 150.7 | 139.5 | 123.3 | -83.8 | -175.8 | -178.2 | 172.8 | 2.1 | 113.3 | |||||
| 339 | E | 26.1 | Very low | 29.2 | Very low | 182 Ų | 182 | 156.4 Ų | 156.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -73.2 | -165.3 | -177.5 | -47.9 | -170 | 130.1 | 0 | 0 | 114.7 | ||||
| 340 | P | 39.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | cis | -133.2 | 172 | -19.5 | 20.4 | 4.2 | 0 | 0 | 0 | 114.2 | ||||
| 341 | G | 26.3 | Very low | 29 | Very low | 76 Ų | 76 | 153 Ų | 153 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 157.6 | 93.4 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 342 | D | 26.1 | Very low | 29.5 | Very low | 174 Ų | 174 | 156 Ų | 156 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | 79.4 | 127.1 | 150.9 | -111.8 | -11.9 | 0 | 0 | 0 | 123.5 | ||||
| 343 | Q | 27.8 | Very low | 29.2 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -95.1 | -176.1 | -173.2 | -78.2 | -172.7 | -21.5 | 0 | 0 | 112.6 | ||||
| 344 | P | 35.8 | Very low | 29.2 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -126 | 151.1 | -10.1 | 23.6 | -1.4 | 0 | 0 | 0 | 115.1 | ||||
| 345 | E | 28.3 | Very low | 29.1 | Very low | 166 Ų | 166 | 155.9 Ų | 155.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -79.2 | 137 | 156.1 | -66.5 | -177.5 | 156.4 | 0 | 0 | 110.2 | ||||
| 346 | H | 27.6 | Very low | 29.3 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -101.1 | 93.4 | 155.8 | -77.6 | -70.3 | 0 | 0 | 0 | 109.3 | ||||
| 347 | R | 25.2 | Very low | 29.6 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -87.9 | 114 | 167.3 | -164.9 | 176.2 | 175.8 | 179 | -0.1 | 107.6 | ||||
| 348 | I | 24.9 | Very low | 29.7 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -105.8 | 114.1 | 163.2 | -59.6 | 178 | 0 | 0 | 0 | 106.8 | ||||
| 349 | S | 28.2 | Very low | 29.9 | Very low | 77 Ų | 77 | 151.7 Ų | 151.7 | 54% | 0.538 | 80% | 0.799 | S | S | . | * | trans | -130.3 | 118.3 | 166.4 | -51.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 350 | F | 25.2 | Very low | 30 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | -140.2 | 113.3 | 157.3 | -75.8 | -72.1 | 0 | 0 | 0 | 110.1 | ||||
| 351 | L | 28.1 | Very low | 29.5 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 58.8 | 119.3 | 132.5 | -66.1 | 161.8 | 0 | 0 | 0 | 119.7 | A353 | L351-A353 PolarHBondContact O-N 2.97Š| ||
| 352 | N | 39.1 | Very low | 29.5 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -45.3 | 121.8 | 152.3 | -70 | -28.5 | 0 | 0 | 0 | 111.3 | ||||
| 353 | A | 28.5 | Very low | 29.9 | Very low | 89 Ų | 89 | 155.5 Ų | 155.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -126.9 | 111.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | L351 | L351-A353 PolarHBondContact O-N 2.97Š| ||
| 354 | A | 32.6 | Very low | 29.8 | Very low | 89 Ų | 89 | 156 Ų | 156 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | 56.5 | 115.2 | 89.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 355 | E | 32.8 | Very low | 29.6 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 73 | 122.4 | 166.5 | -61.8 | 178.1 | 154.8 | 0 | 0 | 119.3 | E357 | E355-E357 PolarHBondContact O-N 3.05Š| ||
| 356 | P | 34 | Very low | 30 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -86.4 | 103.2 | 160 | 31.9 | -25.5 | 0 | 0 | 0 | 109.7 | ||||
| 357 | E | 31.7 | Very low | 30.1 | Very low | 178 Ų | 178 | 158.5 Ų | 158.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -58.2 | 141.4 | 165.1 | -73.9 | -160.9 | 144.7 | 0 | 0 | 111.8 | E355 K359 | E355-E357 PolarHBondContact O-N 3.05Å; E357-K359 PolarHBondContact O-N 3.43Å | ||
| 358 | K | 30.1 | Very low | 30.4 | Very low | 207 Ų | 207 | 156.2 Ų | 156.2 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -52.7 | 110.9 | 174.7 | -66.1 | 168.5 | 178.9 | 171.9 | 0 | 111.2 | ||||
| 359 | K | 30.9 | Very low | 30.7 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -91 | 106.2 | 159.9 | -74.4 | -177.3 | 179.3 | 177.6 | 0 | 109.1 | E357 L361 | E357-K359 PolarHBondContact O-N 3.43Å; K359-L361 PolarHBondContact O-N 3.36Å | ||
| 360 | K | 27.5 | Very low | 30.8 | Very low | 195 Ų | 195 | 161.1 Ų | 161.1 | 85% | 0.848 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 120 | 165.3 | -76.2 | 177.8 | 174.9 | 178.9 | 0 | 108.3 | ||
| 361 | L | 28 | Very low | 31.2 | Very low | 148 Ų | 148 | 159.8 Ų | 159.8 | 78% | 0.775 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 116.2 | 160.4 | -111.9 | 86.9 | 0 | 0 | 0 | 107.3 | K359 | K359-L361 PolarHBondContact O-N 3.36Š|
| 362 | N | 27.3 | Very low | 31.4 | Very low | 153 Ų | 153 | 160.2 Ų | 160.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.9 | 161.5 | -75.9 | -7.7 | 0 | 0 | 0 | 107.3 | ||
| 363 | I | 34 | Very low | 30.9 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 70% | 0.703 | 85% | 0.845 | S | S | * | * | trans | -108.1 | 109.2 | 169.2 | -58.9 | 175.1 | 0 | 0 | 0 | 105.5 | ||||
| 364 | E | 27.1 | Very low | 31 | Very low | 189 Ų | 189 | 164.8 Ų | 164.8 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -74.5 | 126.3 | 160.8 | -87 | -179 | 156.3 | 0 | 0 | 108 | ||||
| 365 | V | 30.1 | Very low | 30.9 | Very low | 133 Ų | 133 | 171.2 Ų | 171.2 | 81% | 0.806 | 86% | 0.864 | S | S | * | * | trans | -89.9 | 124.3 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 366 | V | 37.7 | Very low | 30.8 | Very low | 205 Ų | 205 | 170.5 Ų | 170.5 | 100% | 1.242 | 87% | 0.866 | S | S | * | * | trans | -98.1 | 0 | 159.5 | -179 | 0 | 0 | 0 | 0 | 108 |
Retrieved 366 of 366 residues in 353.8 ms
(Link to these results)