| 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 | 37.1 | Very low | 32.8 | Very low | 251 Ų | 251 | 141.3 Ų | 141.3 | 100% | 1.236 | 85% | 0.851 | S | S | * | * | 0 | 101.2 | 0 | -86.1 | 171.9 | 164.7 | 0 | 0 | 107.5 | |||||
| 2 | G | 32.2 | Very low | 32.9 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | trans | -88.6 | 130.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | N | 34 | Very low | 33.2 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 84% | 0.844 | S | S | * | * | trans | -144.3 | 96.8 | 154.7 | -96 | -13.4 | 0 | 0 | 0 | 105.8 | V5 | N3-V5 PolarHBondContact O-N 2.79Š| ||
| 4 | A | 31.5 | Very low | 33.5 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | -71.4 | 113.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 5 | V | 34.2 | Very low | 33.7 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | trans | -92.5 | 116.8 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | N3 | N3-V5 PolarHBondContact O-N 2.79Š| ||
| 6 | H | 31.1 | Very low | 33.8 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | trans | -55.4 | 130.3 | 179 | -100.2 | -81.5 | 0 | 0 | 0 | 112.1 | S8 | H6-S8 PolarHBondContact O-N 3.14Š| ||
| 7 | A | 30.5 | Very low | 33.8 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -69.4 | 115.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | S | 32.3 | Very low | 33.9 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 83% | 0.834 | S | S | * | * | trans | -88.2 | 108.3 | 163.1 | 58.5 | 0 | 0 | 0 | 0 | 108.2 | H6 | H6-S8 PolarHBondContact O-N 3.14Š| ||
| 9 | T | 31.3 | Very low | 34 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 132.4 | 165.2 | 14.5 | 0 | 0 | 0 | 0 | 109.3 | K11 | T9-K11 PolarHBondContact O-N 3.24Š|
| 10 | P | 34.4 | Very low | 34.1 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.3 | 173.2 | -1.1 | 13.1 | 0 | 0 | 0 | 108.5 | D12 | P10-D12 PolarHBondContact O-N 3.39Š|
| 11 | K | 32.4 | Very low | 34.2 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133 | 173.4 | -80.4 | 174.4 | 171 | 176.6 | 0 | 109.3 | T9 D13 | T9-K11 PolarHBondContact O-N 3.24Å; K11-D13 PolarHBondContact O-N 2.89Å |
| 12 | D | 34 | Very low | 34.1 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -51.8 | 105.8 | 166.9 | -61.3 | -58.4 | 0 | 0 | 0 | 108.9 | P10 V14 | P10-D12 PolarHBondContact O-N 3.39Å; D12-V14 PolarHBondContact O-N 2.99Å | ||
| 13 | D | 36.4 | Very low | 34.4 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 90.3 | 164.2 | -79.7 | -33.8 | 0 | 0 | 0 | 106.3 | K11 F15 | K11-D13 PolarHBondContact O-N 2.89Å; D13-F15 PolarHBondContact O-N 2.74Å; D13-F15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | V | 38.2 | Very low | 34.6 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -48.6 | 116.6 | 170.7 | 174.3 | 0 | 0 | 0 | 0 | 107 | D12 A16 | D12-V14 PolarHBondContact O-N 2.99Å; V14-A16 PolarHBondContact O-N 2.84Å | ||
| 15 | F | 35.7 | Very low | 35.2 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | trans | -44.2 | 101.3 | 171 | -80.1 | -98.9 | 0 | 0 | 0 | 109.1 | D13 E17 | D13-F15 PolarHBondContact O-N 2.74Å; D13-F15 VanDerWaalsContact O-N 3.08Å; F15-E17 PolarHBondContact O-N 2.86Å | ||
| 16 | A | 35.6 | Very low | 35.5 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -66.1 | 106.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | V14 | V14-A16 PolarHBondContact O-N 2.84Š| ||
| 17 | E | 33.7 | Very low | 36.2 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 126.5 | 173.7 | -165.5 | 160.2 | -171.6 | 0 | 0 | 108.5 | F15 E19 | F15-E17 PolarHBondContact O-N 2.86Å; E17-E19 PolarHBondContact O-N 2.93Å |
| 18 | P | 36.5 | Very low | 37.2 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.6 | -175.7 | 22.2 | -30.5 | 0 | 0 | 0 | 109.5 | ||
| 19 | E | 35.3 | Very low | 38.2 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 130.1 | 174.6 | -68.9 | -171.7 | 160.6 | 0 | 0 | 109.3 | E17 T21 | E17-E19 PolarHBondContact O-N 2.93Å; E19-T21 PolarHBondContact O-N 3.34Å |
| 20 | P | 36.4 | Very low | 39.7 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -59.3 | 115.7 | 178.9 | 22.6 | -30.8 | 0 | 0 | 0 | 107.7 | K22 | P20-K22 PolarHBondContact O-N 2.69Š| ||
| 21 | T | 35.8 | Very low | 41.8 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | trans | -53.2 | 109.6 | 176.4 | -38 | 0 | 0 | 0 | 0 | 106.1 | E19 S23 | E19-T21 PolarHBondContact O-N 3.34Å; T21-S23 VanDerWaalsContact C-N 3.34Å; T21-S23 PolarHBondContact O-N 2.83Å | ||
| 22 | K | 35.2 | Very low | 44.4 | Very low | 194 Ų | 194 | 121.2 Ų | 121.2 | 84% | 0.843 | 67% | 0.667 | S | S | * | * | trans | -50.6 | 103.4 | 178.4 | -75.9 | 176.9 | 177.9 | 171.5 | 0 | 106.7 | P20 Q24 | P20-K22 PolarHBondContact O-N 2.69Å; K22-Q24 VanDerWaalsContact C-N 3.28Å; K22-Q24 PolarHBondContact O-N 3.05Å | ||
| 23 | S | 38.9 | Very low | 47 | Very low | 74 Ų | 74 | 115 Ų | 115 | 52% | 0.517 | 64% | 0.638 | S | S | . | * | trans | -60.6 | 101.7 | 174.8 | 45.7 | 0 | 0 | 0 | 0 | 105.3 | T21 D25 | T21-S23 VanDerWaalsContact C-N 3.34Å; T21-S23 PolarHBondContact O-N 2.83Å; S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | Q | 38.3 | Very low | 49.6 | Very low | 176 Ų | 176 | 107.8 Ų | 107.8 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | trans | -52.9 | 122.4 | 177 | -70.5 | -175.5 | -16.7 | 0 | 0 | 105.4 | K22 S26 | K22-Q24 VanDerWaalsContact C-N 3.28Å; K22-Q24 PolarHBondContact O-N 3.05Å; Q24-S26 PolarHBondContact O-N 2.82Å | ||
| 25 | D | 42.4 | Very low | 52.3 | Low | 89 Ų | 89 | 102 Ų | 102 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | trans | -52.6 | 82.9 | 177 | -170.5 | 47.3 | 0 | 0 | 0 | 107 | S23 P27 R180 | S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 VanDerWaalsContact O-N 3.08Å; D25-P27 WeakPolarHBondContact O-CD 3.04Å; D25-R180 IonicContact OD1-CZ 3.92Å; D25-R180 IonicContact OD1-NE 4Å; D25-R180 IonicContact OD1-NH2 2.97Å; D25-R180 PolarHBondContact OD1-NH2 2.92Å | ||
| 26 | S | 41 | Very low | 54.7 | Low | 97 Ų | 97 | 99 Ų | 99 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | trans | -71.8 | 106.5 | -173 | 48.9 | 0 | 0 | 0 | 0 | 105.1 | Q24 N28 | Q24-S26 PolarHBondContact O-N 2.82Å; S26-N28 PolarHBondContact O-N 2.85Å | ||
| 27 | P | 47 | Very low | 57.3 | Low | 91 Ų | 91 | 98.1 Ų | 98.1 | 59% | 0.591 | 54% | 0.535 | S | S | * | . | trans | -59.6 | 148.2 | 178.1 | 27 | -31.6 | 0 | 0 | 0 | 107.2 | D25 V29 | D25-P27 WeakPolarHBondContact O-CD 3.04Å; P27-V29 HydrophobicContact CG-CG2 4.38Å; P27-V29 WeakPolarHBondContact O-CG2 3.2Å; P27-V29 PolarHBondContact O-N 2.75Å | ||
| 28 | N | 49.5 | Very low | 60.2 | Low | 47 Ų | 47 | 89.8 Ų | 89.8 | 25% | 0.251 | 50% | 0.496 | S | S | . | . | trans | -62.5 | 89.5 | 172.7 | -165.1 | -24.4 | 0 | 0 | 0 | 108.7 | S26 E30 G31 | S26-N28 PolarHBondContact O-N 2.85Å; N28-E30 PolarHBondContact O-N 2.75Å; N28-E30 PolarHBondContact OD1-N 2.81Å; N28-G31 PolarHBondContact OD1-O 2.8Å | ||
| 29 | V | 53.5 | Low | 63 | Low | 130 Ų | 130 | 85.1 Ų | 85.1 | 79% | 0.788 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -25.4 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | P27 G31 | P27-V29 HydrophobicContact CG-CG2 4.38Å; P27-V29 WeakPolarHBondContact O-CG2 3.2Å; P27-V29 PolarHBondContact O-N 2.75Å; V29-G31 VanDerWaalsContact C-N 3.25Å; V29-G31 PolarHBondContact O-N 2.88Å |
| 30 | E | 64.5 | Low | 65.8 | Low | 183 Ų | 183 | 79.6 Ų | 79.6 | 86% | 0.855 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 3.5 | -172.5 | -66.5 | -179.8 | 167.3 | 0 | 0 | 114.4 | N28 | N28-E30 PolarHBondContact O-N 2.75Å; N28-E30 PolarHBondContact OD1-N 2.81Å |
| 31 | G | 78.6 | Confident | 68.5 | Low | 7 Ų | 7 | 77.6 Ų | 77.6 | 7% | 0.072 | 42% | 0.42 | C | S | . | . | trans | 73.8 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N28 V29 G33 | N28-G31 PolarHBondContact OD1-O 2.8Å; V29-G31 VanDerWaalsContact C-N 3.25Å; V29-G31 PolarHBondContact O-N 2.88Å; G31-G33 VanDerWaalsContact C-N 3.28Å; G31-G33 PolarHBondContact O-N 2.79Å | ||
| 32 | P | 86.3 | Confident | 71.3 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | trans | -72.5 | -17.4 | -170.4 | 28.4 | -34.9 | 0 | 0 | 0 | 114.1 | Q152 M174 Q176 A182 K208 | P32-Q152 HydrophobicContact CG-CB 4.06Å; P32-M174 HydrophobicContact CB-CB 4.32Å; P32-M174 HydrophobicContact CB-CG 3.73Å; P32-M174 HydrophobicContact CG-CB 4.49Å; P32-M174 HydrophobicContact CG-CG 4.42Å; P32-Q176 HydrophobicContact CB-CB 4.29Å; P32-A182 HydrophobicContact CB-CB 4.05Å; P32-K208 PolarHBondContact O-NZ 2.68Å | ||
| 33 | G | 88.3 | Confident | 74.1 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 19% | 0.186 | 36% | 0.362 | C | S | . | . | trans | 76.1 | -164.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G31 Q152 M174 | G31-G33 VanDerWaalsContact C-N 3.28Å; G31-G33 PolarHBondContact O-N 2.79Å; G33-Q152 VanDerWaalsContact CA-OE1 3.24Å; G33-Q152 WeakPolarHBondContact O-CB 3.46Å; G33-Q152 PolarHBondContact O-OE1 2.86Å; G33-M174 WeakPolarHBondContact O-CB 3.21Å; G33-M174 WeakPolarHBondContact O-CG 3.38Å | ||
| 34 | T | 92 | Very high | 76.8 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | trans | -111.3 | 160.3 | 170.1 | 54.2 | 0 | 0 | 0 | 0 | 109.6 | E36 N37 I38 Q152 D172 | T34-E36 PolarHBondContact O-N 3.16Å; T34-N37 PolarHBondContact O-N 3.17Å; T34-N37 PolarHBondContact OG1-N 2.89Å; T34-N37 PolarHBondContact OG1-ND2 2.94Å; T34-I38 WeakPolarHBondContact O-CG2 3.5Å; T34-I38 PolarHBondContact O-N 2.79Å; T34-Q152 HydrophobicContact CG2-CG 4.17Å; T34-D172 WeakPolarHBondContact CA-OD1 3.25Å; T34-D172 WeakPolarHBondContact CB-OD1 3.33Å | ||
| 35 | V | 93.1 | Very high | 79.4 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -56.8 | -37.8 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | N37 I38 D172 M174 A186 T219 | V35-N37 VanDerWaalsContact C-N 3.27Å; V35-N37 PolarHBondContact O-N 3.13Å; V35-I38 WeakPolarHBondContact O-CG1 3.36Å; V35-D172 WeakPolarHBondContact CA-OD2 3.48Å; V35-D172 VanDerWaalsContact CB-OD2 3.25Å; V35-D172 WeakPolarHBondContact CB-OD2 3.48Å; V35-D172 PolarHBondContact N-OD1 2.87Å; V35-D172 VanDerWaalsContact N-OD1 3.1Å; V35-D172 PolarHBondContact N-OD2 2.93Å; V35-M174 HydrophobicContact CG2-SD 3.88Å; V35-A186 HydrophobicContact CB-CB 4.13Å; V35-A186 HydrophobicContact CG1-CB 4.35Å; V35-A186 HydrophobicContact CG2-CB 4.41Å; V35-T219 HydrophobicContact CG1-CG2 4.26Å |
| 36 | E | 86.5 | Confident | 81.9 | Confident | 141 Ų | 141 | 56.1 Ų | 56.1 | 66% | 0.659 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -58.5 | -36.3 | 175.7 | -171.6 | 178.8 | -172.2 | 0 | 0 | 113.3 | T34 D172 | T34-E36 PolarHBondContact O-N 3.16Å; E36-D172 PolarHBondContact N-OD2 2.83Å |
| 37 | N | 91.4 | Very high | 84.5 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -98.6 | -0.2 | -171 | -71.4 | -42.1 | 0 | 0 | 0 | 114.4 | T34 V35 H39 N40 | T34-N37 PolarHBondContact O-N 3.17Å; T34-N37 PolarHBondContact OG1-N 2.89Å; T34-N37 PolarHBondContact OG1-ND2 2.94Å; V35-N37 VanDerWaalsContact C-N 3.27Å; V35-N37 PolarHBondContact O-N 3.13Å; N37-H39 PolarHBondContact O-N 2.76Å; N37-N40 WeakPolarHBondContact CB-ND2 3.29Å; N37-N40 WeakPolarHBondContact O-CB 3.44Å; N37-N40 PolarHBondContact O-N 2.84Å; N37-N40 PolarHBondContact OD1-ND2 3.5Å |
| 38 | I | 94.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.5 | -175.7 | 67.1 | -174.1 | 0 | 0 | 0 | 113.3 | T34 V35 M174 K208 A217 T219 | T34-I38 WeakPolarHBondContact O-CG2 3.5Å; T34-I38 PolarHBondContact O-N 2.79Å; V35-I38 WeakPolarHBondContact O-CG1 3.36Å; I38-M174 HydrophobicContact CG2-CE 3.75Å; I38-M174 HydrophobicContact CG2-SD 4.27Å; I38-K208 HydrophobicContact CB-CB 4.21Å; I38-K208 HydrophobicContact CB-CD 4.25Å; I38-K208 HydrophobicContact CG2-CB 4.11Å; I38-K208 HydrophobicContact CG2-CD 4.27Å; I38-A217 HydrophobicContact CB-CB 3.99Å; I38-A217 HydrophobicContact CD1-CB 4.06Å; I38-A217 HydrophobicContact CG1-CB 3.81Å; I38-T219 WeakPolarHBondContact CD1-OG1 3.23Å |
| 39 | H | 95.1 | Very high | 88.4 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -17.8 | -178.8 | -58.9 | -63.1 | 0 | 0 | 0 | 113.2 | N37 K41 A42 H43 T219 H228 S230 | N37-H39 PolarHBondContact O-N 2.76Å; H39-K41 PolarHBondContact O-N 2.96Å; H39-A42 PolarHBondContact O-N 3.12Å; H39-H43 PolarHBondContact O-N 2.77Å; H39-H43 VanDerWaalsContact O-N 3.09Å; H39-T219 WeakPolarHBondContact NE2-CB 3.45Å; H39-T219 PolarHBondContact NE2-OG1 3.23Å; H39-H228 AromaticContact CD2-CD2 3.73Å; H39-H228 AromaticContact CD2-NE2 3.82Å; H39-H228 AromaticContact CE1-CD2 3.25Å; H39-H228 PolarHBondContact CE1-CD2 2.81Å; H39-H228 AromaticContact CE1-CG 3.98Å; H39-H228 AromaticContact CE1-NE2 3.87Å; H39-H228 AromaticContact CG-CD2 3.59Å; H39-H228 AromaticContact CG-NE2 3.38Å; H39-H228 AromaticContact ND1-CD2 3.29Å; H39-H228 PolarHBondContact ND1-CD2 2.81Å; H39-H228 VanDerWaalsContact ND1-CD2 3.29Å; H39-H228 AromaticContact ND1-NE2 3.43Å; H39-H228 PolarHBondContact ND1-NE2 2.84Å; H39-H228 AromaticContact NE2-CD2 3.56Å; H39-H228 AromaticContact NE2-CG 3.88Å; H39-S230 WeakPolarHBondContact ND1-CB 3.31Å; H39-S230 PolarHBondContact ND1-OG 2.84Å |
| 40 | N | 94.4 | Very high | 90.2 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -52.6 | -37.7 | -172.2 | -65.7 | 5.5 | 0 | 0 | 0 | 113.6 | N37 A42 H43 D44 | N37-N40 WeakPolarHBondContact CB-ND2 3.29Å; N37-N40 WeakPolarHBondContact O-CB 3.44Å; N37-N40 PolarHBondContact O-N 2.84Å; N37-N40 PolarHBondContact OD1-ND2 3.5Å; N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 2.82Å; N40-H43 PolarHBondContact O-N 2.85Å; N40-D44 VanDerWaalsContact O-CB 3.32Å; N40-D44 WeakPolarHBondContact O-CB 3.45Å; N40-D44 PolarHBondContact O-N 2.77Å |
| 41 | K | 92.6 | Very high | 91.4 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -35.2 | -179.1 | -165.5 | 177.3 | -174.2 | -176.7 | 0 | 113.2 | H39 Q215 H232 | H39-K41 PolarHBondContact O-N 2.96Å; K41-Q215 VanDerWaalsContact CB-NE2 3.29Å; K41-Q215 HydrophobicContact CD-CB 4.03Å; K41-Q215 HydrophobicContact CD-CG 4.46Å; K41-H232 WeakPolarHBondContact CE-ND1 3.39Å; K41-H232 HydrophobicContact CG-CB 4.37Å |
| 42 | A | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.6 | -46.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.8 | H39 N40 D44 I45 H232 A242 E244 | H39-A42 PolarHBondContact O-N 3.12Å; N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 2.82Å; A42-D44 VanDerWaalsContact C-N 3.3Å; A42-D44 PolarHBondContact O-N 3.01Å; A42-I45 VanDerWaalsContact O-CB 3.3Å; A42-I45 WeakPolarHBondContact O-CB 3.38Å; A42-I45 WeakPolarHBondContact O-CG1 3.31Å; A42-I45 PolarHBondContact O-N 2.87Å; A42-I45 VanDerWaalsContact O-N 3.1Å; A42-H232 HydrophobicContact CB-CB 4.37Å; A42-A242 HydrophobicContact CB-CB 4.17Å; A42-A242 WeakPolarHBondContact O-CB 3.18Å; A42-E244 HydrophobicContact CB-CG 4.24Å |
| 43 | H | 94.7 | Very high | 92.3 | Very high | 101 Ų | 101 | 45.7 Ų | 45.7 | 47% | 0.468 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | -178.8 | -171.7 | -91.9 | 0 | 0 | 0 | 113.6 | H39 N40 I45 F46 E244 | H39-H43 PolarHBondContact O-N 2.77Å; H39-H43 VanDerWaalsContact O-N 3.09Å; N40-H43 PolarHBondContact O-N 2.85Å; H43-I45 PolarHBondContact O-N 3.42Å; H43-F46 WeakPolarHBondContact O-CB 3.24Å; H43-F46 PolarHBondContact O-N 2.75Å; H43-F46 VanDerWaalsContact O-N 3.07Å; H43-E244 WeakPolarHBondContact CA-OE1 3.48Å; H43-E244 WeakPolarHBondContact CB-OE1 3.3Å; H43-E244 IonicContact CD2-OE2 3.32Å; H43-E244 PolarHBondContact N-OE1 2.89Å |
| 44 | D | 93.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -15.8 | -179.5 | -71.8 | -19 | 0 | 0 | 0 | 113.7 | N40 A42 F46 K272 | N40-D44 VanDerWaalsContact O-CB 3.32Å; N40-D44 WeakPolarHBondContact O-CB 3.45Å; N40-D44 PolarHBondContact O-N 2.77Å; A42-D44 VanDerWaalsContact C-N 3.3Å; A42-D44 PolarHBondContact O-N 3.01Å; D44-F46 VanDerWaalsContact C-N 3.32Å; D44-K272 PolarHBondContact O-NZ 2.8Å |
| 45 | I | 94.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -30.2 | 173.8 | -56.7 | -50 | 0 | 0 | 0 | 110.9 | A42 H43 Q240 A242 K261 K272 | A42-I45 VanDerWaalsContact O-CB 3.3Å; A42-I45 WeakPolarHBondContact O-CB 3.38Å; A42-I45 WeakPolarHBondContact O-CG1 3.31Å; A42-I45 PolarHBondContact O-N 2.87Å; A42-I45 VanDerWaalsContact O-N 3.1Å; H43-I45 PolarHBondContact O-N 3.42Å; I45-Q240 HydrophobicContact CD1-CB 3.96Å; I45-A242 HydrophobicContact CB-CB 3.68Å; I45-A242 HydrophobicContact CG1-CB 3.91Å; I45-A242 HydrophobicContact CG2-CB 3.87Å; I45-K261 HydrophobicContact CD1-CB 4.34Å; I45-K261 HydrophobicContact CD1-CD 4.31Å; I45-K261 HydrophobicContact CG2-CB 3.72Å; I45-K272 WeakPolarHBondContact O-CD 3.48Å |
| 46 | F | 95.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -69.6 | 145.6 | -179.2 | -63.5 | -42.6 | 0 | 0 | 0 | 111.8 | H43 D44 A242 E244 T257 Q274 | H43-F46 WeakPolarHBondContact O-CB 3.24Å; H43-F46 PolarHBondContact O-N 2.75Å; H43-F46 VanDerWaalsContact O-N 3.07Å; D44-F46 VanDerWaalsContact C-N 3.32Å; F46-A242 HydrophobicContact CE1-CB 3.89Å; F46-A242 HydrophobicContact CE2-CB 4.47Å; F46-A242 HydrophobicContact CZ-CB 3.79Å; F46-E244 HydrophobicContact CE2-CB 3.98Å; F46-E244 VanDerWaalsContact CE2-CD 3.43Å; F46-E244 HydrophobicContact CE2-CG 3.67Å; F46-E244 WeakPolarHBondContact CE2-OE2 3.31Å; F46-E244 HydrophobicContact CZ-CB 4.19Å; F46-E244 HydrophobicContact CZ-CG 4.12Å; F46-T257 HydrophobicContact CD1-CG2 4.22Å; F46-T257 HydrophobicContact CE1-CG2 3.89Å; F46-T257 HydrophobicContact CE2-CG2 4.39Å; F46-T257 HydrophobicContact CZ-CG2 3.99Å; F46-Q274 HydrophobicContact CD1-CB 3.89Å; F46-Q274 VanDerWaalsContact CG-OE1 3.31Å |
| 47 | P | 94.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.045 | 26% | 0.259 | C | S | . | . | trans | -66.7 | 144.8 | 174.1 | 28.8 | -33.8 | 0 | 0 | 0 | 110.1 | P49 K272 Q274 A282 S284 | P47-P49 VanDerWaalsContact C-CD 3.46Å; P47-P49 WeakPolarHBondContact O-CD 3.35Å; P47-K272 HydrophobicContact CB-CB 3.98Å; P47-Q274 HydrophobicContact CG-CB 4.27Å; P47-Q274 HydrophobicContact CG-CG 3.75Å; P47-A282 HydrophobicContact CG-CB 3.96Å; P47-S284 WeakPolarHBondContact CB-OG 3.26Å | ||
| 48 | V | 91.4 | Very high | 93.2 | Very high | 117 Ų | 117 | 47.4 Ų | 47.4 | 71% | 0.709 | 25% | 0.253 | S | S | * | . | trans | -103.2 | 84.2 | 166.6 | -175.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 49 | P | 88.5 | Confident | 93.1 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | trans | -68.4 | 151.7 | -176.1 | 31.6 | -38 | 0 | 0 | 0 | 110.9 | P47 A282 C299 M301 | P47-P49 VanDerWaalsContact C-CD 3.46Å; P47-P49 WeakPolarHBondContact O-CD 3.35Å; P49-A282 HydrophobicContact CB-CB 4.33Å; P49-A282 HydrophobicContact CG-CB 3.95Å; P49-C299 HydrophobicContact CB-CB 4.26Å; P49-M301 HydrophobicContact CB-CG 3.32Å; P49-M301 HydrophobicContact CB-SD 3.58Å; P49-M301 VanDerWaalsContact CB-SD 3.58Å; P49-M301 HydrophobicContact CG-CE 3.78Å; P49-M301 HydrophobicContact CG-CG 3.59Å; P49-M301 HydrophobicContact CG-SD 3.42Å; P49-M301 WeakPolarHBondContact CG-SD 3.25Å | ||
| 50 | F | 89.9 | Confident | 93 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 16% | 0.158 | 30% | 0.304 | C | S | . | . | trans | -135.2 | 159.2 | 170.8 | 62.8 | -90.7 | 0 | 0 | 0 | 109 | R54 C299 G312 | F50-R54 HydrophobicContact CD2-CB 4.06Å; F50-R54 HydrophobicContact CE2-CB 3.77Å; F50-R54 HydrophobicContact CZ-CB 4.31Å; F50-C299 HydrophobicContact CD1-CB 4.16Å; F50-C299 VanDerWaalsContact CD1-SG 3.53Å; F50-C299 HydrophobicContact CE1-CB 4.16Å; F50-C299 WeakPolarHBondContact CE1-SG 3.46Å; F50-G312 VanDerWaalsContact O-CA 3.29Å; F50-G312 WeakPolarHBondContact O-CA 3.39Å; F50-G312 PolarHBondContact O-N 2.86Å | ||
| 51 | E | 89.8 | Confident | 92.9 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 43% | 0.425 | 32% | 0.315 | S | S | . | . | trans | -110.5 | 147.9 | 178.7 | -179.4 | 171.3 | 172 | 0 | 0 | 110.5 | S310 | E51-S310 VanDerWaalsContact CD-CB 3.5Å; E51-S310 VanDerWaalsContact OE2-CB 3.26Å; E51-S310 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 52 | G | 91.9 | Very high | 92.9 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.7 | -153.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L73 F311 G312 I313 | G52-L73 WeakPolarHBondContact CA-O 3.26Å; G52-F311 PolarHBondContact N-O 2.82Å; G52-G312 CarbonylContact O-C 3.55Å; G52-G312 VanDerWaalsContact O-CA 3.23Å; G52-G312 WeakPolarHBondContact O-CA 3.4Å; G52-I313 PolarHBondContact O-N 2.89Å |
| 53 | G | 92.8 | Very high | 92.6 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S72 L73 I313 | G53-S72 CarbonylContact O-C 3.53Å; G53-S72 WeakPolarHBondContact O-CA 3.4Å; G53-L73 PolarHBondContact N-O 2.78Å; G53-L73 PolarHBondContact O-N 2.99Å; G53-I313 CarbonylContact C-O 3.43Å; G53-I313 WeakPolarHBondContact CA-O 3.48Å |
| 54 | R | 93 | Very high | 92.5 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.8 | 171.8 | -169.5 | 177.6 | 177.7 | -179 | -1.6 | 111.1 | F50 V56 L71 I313 G314 L315 | F50-R54 HydrophobicContact CD2-CB 4.06Å; F50-R54 HydrophobicContact CE2-CB 3.77Å; F50-R54 HydrophobicContact CZ-CB 4.31Å; R54-V56 HydrophobicContact CG-CG2 4.05Å; R54-L71 CarbonylContact C-O 3.58Å; R54-L71 WeakPolarHBondContact CA-O 3.29Å; R54-I313 PolarHBondContact N-O 2.95Å; R54-G314 CarbonylContact O-C 3.55Å; R54-G314 WeakPolarHBondContact O-CA 3.4Å; R54-L315 PolarHBondContact O-N 3.08Å |
| 55 | L | 94.5 | Very high | 92.5 | Very high | 68 Ų | 68 | 58 Ų | 58 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.9 | 172.1 | 176.9 | 65.8 | 0 | 0 | 0 | 108.6 | V57 S70 L71 L315 V317 | L55-V57 HydrophobicContact CD1-CG2 4.41Å; L55-V57 HydrophobicContact CG-CG2 4.29Å; L55-S70 CarbonylContact O-C 3.53Å; L55-S70 WeakPolarHBondContact O-CA 3.37Å; L55-L71 HydrophobicContact CB-CB 4.34Å; L55-L71 PolarHBondContact N-O 3.22Å; L55-L71 PolarHBondContact O-N 2.81Å; L55-L315 CarbonylContact C-O 3.53Å; L55-L315 WeakPolarHBondContact CA-O 3.34Å; L55-L315 HydrophobicContact CD1-CB 4.1Å; L55-L315 HydrophobicContact CD1-CD2 4.18Å; L55-L315 HydrophobicContact CD1-CG 4.35Å; L55-V317 HydrophobicContact CD1-CG2 4.31Å |
| 56 | V | 94.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.2 | 176.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | R54 N68 H69 L315 M316 V317 | R54-V56 HydrophobicContact CG-CG2 4.05Å; V56-N68 WeakPolarHBondContact CG1-OD1 3.45Å; V56-H69 CarbonylContact C-O 3.59Å; V56-H69 VanDerWaalsContact CA-O 3.31Å; V56-H69 WeakPolarHBondContact CA-O 3.18Å; V56-L315 PolarHBondContact N-O 2.9Å; V56-M316 HydrophobicContact CB-CB 4.29Å; V56-M316 HydrophobicContact CB-CG 4.08Å; V56-M316 HydrophobicContact CG1-CE 4.39Å; V56-M316 HydrophobicContact CG1-CG 4.18Å; V56-M316 CarbonylContact O-C 3.53Å; V56-M316 VanDerWaalsContact O-CA 3.25Å; V56-M316 WeakPolarHBondContact O-CA 3.42Å; V56-V317 PolarHBondContact O-N 2.94Å |
| 57 | V | 94.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 109.6 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | L55 N68 H69 V317 | L55-V57 HydrophobicContact CD1-CG2 4.41Å; L55-V57 HydrophobicContact CG-CG2 4.29Å; V57-N68 CarbonylContact O-C 3.51Å; V57-N68 WeakPolarHBondContact O-CA 3.13Å; V57-H69 HydrophobicContact CB-CB 4.18Å; V57-H69 PolarHBondContact N-O 2.79Å; V57-H69 PolarHBondContact O-N 2.91Å; V57-V317 CarbonylContact C-O 3.55Å; V57-V317 VanDerWaalsContact CA-O 3.29Å; V57-V317 WeakPolarHBondContact CA-O 3.18Å; V57-V317 HydrophobicContact CG1-CB 4.35Å; V57-V317 HydrophobicContact CG2-CB 4.24Å; V57-V317 HydrophobicContact CG2-CG2 4.37Å |
| 58 | N | 92.8 | Very high | 92.7 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.7 | 175.8 | -69.2 | -44.2 | 0 | 0 | 0 | 109.3 | N68 V317 G318 | N58-N68 VanDerWaalsContact OD1-CB 3.31Å; N58-N68 WeakPolarHBondContact OD1-CB 3.38Å; N58-N68 PolarHBondContact OD1-ND2 2.88Å; N58-N68 PolarHBondContact OD1-OD1 2.87Å; N58-V317 PolarHBondContact N-O 3.3Å; N58-G318 WeakPolarHBondContact O-CA 3.33Å |
| 59 | K | 93.3 | Very high | 92.9 | Very high | 128 Ų | 128 | 62.4 Ų | 62.4 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 115.2 | 178 | -169.9 | 176.2 | -179.1 | 176.7 | 0 | 110.4 | L61 V67 | K59-L61 HydrophobicContact CD-CD2 3.91Å; K59-L61 HydrophobicContact CG-CD2 4Å; K59-L61 PolarHBondContact O-N 3.22Å; K59-V67 PolarHBondContact N-O 3.42Å; K59-V67 PolarHBondContact O-N 2.82Å |
| 60 | G | 91.8 | Very high | 93.1 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 117.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 61 | L | 92.5 | Very high | 93.4 | Very high | 104 Ų | 104 | 62.5 Ų | 62.5 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -27 | 172.9 | -54.8 | -176.2 | 0 | 0 | 0 | 111.5 | K59 F65 V67 | K59-L61 HydrophobicContact CD-CD2 3.91Å; K59-L61 HydrophobicContact CG-CD2 4Å; K59-L61 PolarHBondContact O-N 3.22Å; L61-F65 HydrophobicContact CB-CD1 4.02Å; L61-F65 HydrophobicContact CD1-CD1 3.86Å; L61-F65 HydrophobicContact CD1-CE1 3.74Å; L61-F65 HydrophobicContact CG-CD1 4.15Å; L61-F65 HydrophobicContact CG-CE1 4.46Å; L61-F65 PolarHBondContact N-O 3.19Å; L61-V67 HydrophobicContact CD1-CG2 3.74Å; L61-V67 HydrophobicContact CG-CG2 4.07Å |
| 62 | S | 92.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 168.9 | 170.7 | 77.8 | 0 | 0 | 0 | 0 | 109.5 | N64 F65 | S62-N64 PolarHBondContact O-N 2.95Å; S62-N64 PolarHBondContact OG-N 3.46Å; S62-F65 PolarHBondContact N-O 3.16Å; S62-F65 VanDerWaalsContact N-O 3.14Å; S62-F65 PolarHBondContact O-N 3.47Å; S62-F65 VanDerWaalsContact O-N 3.11Å; S62-F65 VanDerWaalsContact O-O 3.07Å; S62-F65 VanDerWaalsContact OG-CB 3.26Å; S62-F65 WeakPolarHBondContact OG-CB 3.4Å; S62-F65 PolarHBondContact OG-N 3.44Å; S62-F65 VanDerWaalsContact OG-N 3.11Å |
| 63 | P | 88 | Confident | 93.4 | Very high | 131 Ų | 131 | 63.5 Ų | 63.5 | 85% | 0.851 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22 | 175.5 | -25.5 | 35.4 | 0 | 0 | 0 | 114.1 | ||
| 64 | N | 92.5 | Very high | 93 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -3.1 | -176.2 | -66.9 | 98.4 | 0 | 0 | 0 | 112.7 | S62 Y87 V88 H90 | S62-N64 PolarHBondContact O-N 2.95Å; S62-N64 PolarHBondContact OG-N 3.46Å; N64-Y87 HydrophobicContact CB-CD2 4.42Å; N64-Y87 HydrophobicContact CB-CE2 4.11Å; N64-Y87 CarbonylContact O-C 3.48Å; N64-Y87 VanDerWaalsContact O-CA 3.25Å; N64-Y87 WeakPolarHBondContact O-CA 3.38Å; N64-Y87 VanDerWaalsContact O-CD2 3.28Å; N64-Y87 WeakPolarHBondContact O-CD2 3.44Å; N64-V88 WeakPolarHBondContact CB-O 3.04Å; N64-V88 PolarHBondContact ND2-O 3.29Å; N64-V88 PolarHBondContact O-N 2.84Å; N64-H90 PolarHBondContact OD1-CE1 2.98Å; N64-H90 VanDerWaalsContact OD1-CE1 3.27Å |
| 65 | F | 95.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 64 Ų | 64 | 31% | 0.307 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 119 | -172.8 | -168.2 | -92.6 | 0 | 0 | 0 | 111.7 | L61 S62 V67 V85 T86 Y87 | L61-F65 HydrophobicContact CB-CD1 4.02Å; L61-F65 HydrophobicContact CD1-CD1 3.86Å; L61-F65 HydrophobicContact CD1-CE1 3.74Å; L61-F65 HydrophobicContact CG-CD1 4.15Å; L61-F65 HydrophobicContact CG-CE1 4.46Å; L61-F65 PolarHBondContact N-O 3.19Å; S62-F65 PolarHBondContact N-O 3.16Å; S62-F65 VanDerWaalsContact N-O 3.14Å; S62-F65 PolarHBondContact O-N 3.47Å; S62-F65 VanDerWaalsContact O-N 3.11Å; S62-F65 VanDerWaalsContact O-O 3.07Å; S62-F65 VanDerWaalsContact OG-CB 3.26Å; S62-F65 WeakPolarHBondContact OG-CB 3.4Å; S62-F65 PolarHBondContact OG-N 3.44Å; S62-F65 VanDerWaalsContact OG-N 3.11Å; F65-V67 HydrophobicContact CD1-CG2 4.09Å; F65-V67 HydrophobicContact CE1-CG2 3.47Å; F65-V67 VanDerWaalsContact CE1-CG2 3.47Å; F65-V67 HydrophobicContact CZ-CG2 4.32Å; F65-V85 HydrophobicContact CD2-CG1 4.22Å; F65-V85 HydrophobicContact CE1-CG1 4.08Å; F65-V85 HydrophobicContact CE2-CG1 3.28Å; F65-V85 HydrophobicContact CZ-CG1 3.22Å; F65-T86 WeakPolarHBondContact CA-O 3.31Å; F65-Y87 HydrophobicContact CD2-CD2 4.29Å |
| 66 | Q | 94.8 | Very high | 91.4 | Very high | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.1 | 177 | 62.6 | 177.5 | 12.3 | 0 | 0 | 111 | T86 | Q66-T86 VanDerWaalsContact CG-CB 3.48Å; Q66-T86 HydrophobicContact CG-CG2 4.36Å; Q66-T86 PolarHBondContact N-O 3.01Å; Q66-T86 PolarHBondContact NE2-OG1 2.82Å; Q66-T86 VanDerWaalsContact NE2-OG1 3.16Å; Q66-T86 PolarHBondContact O-N 2.91Å |
| 67 | V | 96.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.4 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | K59 L61 F65 H69 F83 G84 | K59-V67 PolarHBondContact N-O 3.42Å; K59-V67 PolarHBondContact O-N 2.82Å; L61-V67 HydrophobicContact CD1-CG2 3.74Å; L61-V67 HydrophobicContact CG-CG2 4.07Å; F65-V67 HydrophobicContact CD1-CG2 4.09Å; F65-V67 HydrophobicContact CE1-CG2 3.47Å; F65-V67 VanDerWaalsContact CE1-CG2 3.47Å; F65-V67 HydrophobicContact CZ-CG2 4.32Å; V67-H69 WeakPolarHBondContact CG1-NE2 3.29Å; V67-F83 HydrophobicContact CG1-CD2 4.12Å; V67-F83 HydrophobicContact CG1-CE2 3.23Å; V67-F83 HydrophobicContact CG1-CZ 3.7Å; V67-G84 CarbonylContact C-O 3.54Å; V67-G84 WeakPolarHBondContact CA-O 3.27Å |
| 68 | N | 95.2 | Very high | 89.4 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 126 | 178.9 | -179 | -1.3 | 0 | 0 | 0 | 109.4 | V56 V57 N58 G84 | V56-N68 WeakPolarHBondContact CG1-OD1 3.45Å; V57-N68 CarbonylContact O-C 3.51Å; V57-N68 WeakPolarHBondContact O-CA 3.13Å; N58-N68 VanDerWaalsContact OD1-CB 3.31Å; N58-N68 WeakPolarHBondContact OD1-CB 3.38Å; N58-N68 PolarHBondContact OD1-ND2 2.88Å; N58-N68 PolarHBondContact OD1-OD1 2.87Å; N68-G84 PolarHBondContact N-O 2.83Å; N68-G84 PolarHBondContact O-N 2.83Å |
| 69 | H | 95.7 | Very high | 89 | Confident | 65 Ų | 65 | 79 Ų | 79 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.9 | 171.6 | -60.7 | -94.8 | 0 | 0 | 0 | 108.3 | V56 V57 V67 Y81 F83 | V56-H69 CarbonylContact C-O 3.59Å; V56-H69 VanDerWaalsContact CA-O 3.31Å; V56-H69 WeakPolarHBondContact CA-O 3.18Å; V57-H69 HydrophobicContact CB-CB 4.18Å; V57-H69 PolarHBondContact N-O 2.79Å; V57-H69 PolarHBondContact O-N 2.91Å; V67-H69 WeakPolarHBondContact CG1-NE2 3.29Å; H69-Y81 HydrophobicContact CB-CE2 3.97Å; H69-Y81 PolarHBondContact CE1-OH 3.01Å; H69-Y81 AromaticContact ND1-CE2 3.71Å; H69-Y81 AromaticContact ND1-CZ 3.6Å; H69-Y81 PolarHBondContact ND1-OH 2.74Å; H69-F83 AromaticContact CE1-CD2 3.67Å; H69-F83 AromaticContact CE1-CE2 3.52Å; H69-F83 AromaticContact ND1-CD2 3.75Å; H69-F83 AromaticContact NE2-CE2 3.96Å |
| 70 | S | 94.3 | Very high | 88.9 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 7% | 0.07 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 110.9 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | L55 R82 | L55-S70 CarbonylContact O-C 3.53Å; L55-S70 WeakPolarHBondContact O-CA 3.37Å; S70-R82 PolarHBondContact N-O 2.85Å; S70-R82 WeakPolarHBondContact O-CB 3.1Å; S70-R82 PolarHBondContact O-N 3.08Å |
| 71 | L | 94.4 | Very high | 89 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.8 | 170.7 | 177.4 | 66.7 | 0 | 0 | 0 | 108.9 | R54 L55 L73 | R54-L71 CarbonylContact C-O 3.58Å; R54-L71 WeakPolarHBondContact CA-O 3.29Å; L55-L71 HydrophobicContact CB-CB 4.34Å; L55-L71 PolarHBondContact N-O 3.22Å; L55-L71 PolarHBondContact O-N 2.81Å; L71-L73 HydrophobicContact CD1-CD2 4.26Å; L71-L73 HydrophobicContact CG-CD2 4.37Å; L71-L73 HydrophobicContact CG-CG 4.34Å |
| 72 | S | 92.3 | Very high | 89.1 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.9 | 172.1 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | G53 S79 G80 | G53-S72 CarbonylContact O-C 3.53Å; G53-S72 WeakPolarHBondContact O-CA 3.4Å; S72-S79 PolarHBondContact O-OG 3.1Å; S72-G80 PolarHBondContact N-O 2.82Å; S72-G80 PolarHBondContact O-N 2.9Å |
| 73 | L | 90.7 | Very high | 89.3 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 55% | 0.55 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 84.5 | 179.2 | -62.3 | 174.3 | 0 | 0 | 0 | 108 | G52 G53 L71 | G52-L73 WeakPolarHBondContact CA-O 3.26Å; G53-L73 PolarHBondContact N-O 2.78Å; G53-L73 PolarHBondContact O-N 2.99Å; L71-L73 HydrophobicContact CD1-CD2 4.26Å; L71-L73 HydrophobicContact CG-CD2 4.37Å; L71-L73 HydrophobicContact CG-CG 4.34Å |
| 74 | N | 84.2 | Confident | 89.7 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.214 | 36% | 0.36 | C | S | . | . | trans | -126.5 | 174.3 | 174.3 | 59.6 | -6.8 | 0 | 0 | 0 | 110.6 | D76 S79 | N74-D76 VanDerWaalsContact C-N 3.29Å; N74-S79 PolarHBondContact N-OG 3.17Å; N74-S79 VanDerWaalsContact N-OG 3.14Å; N74-S79 WeakPolarHBondContact O-CB 3.36Å; N74-S79 PolarHBondContact O-OG 3.21Å; N74-S79 WeakPolarHBondContact OD1-CA 3.44Å; N74-S79 WeakPolarHBondContact OD1-CB 3.4Å; N74-S79 PolarHBondContact OD1-N 3.17Å; N74-S79 VanDerWaalsContact OD1-N 3.12Å; N74-S79 PolarHBondContact OD1-OG 3.23Å | ||
| 75 | S | 77.7 | Confident | 90 | Very high | 102 Ų | 102 | 70.3 Ų | 70.3 | 71% | 0.713 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -78 | -12.5 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 114 | ||
| 76 | D | 76 | Confident | 90 | Very high | 92 Ų | 92 | 68 Ų | 68 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -83.5 | 163.1 | -173.9 | -59.2 | -29.7 | 0 | 0 | 0 | 112.1 | N74 Q78 S79 | N74-D76 VanDerWaalsContact C-N 3.29Å; D76-Q78 PolarHBondContact O-N 2.77Å; D76-S79 WeakPolarHBondContact O-CB 3.28Å; D76-S79 PolarHBondContact O-N 3.4Å |
| 77 | E | 71.8 | Confident | 90.1 | Very high | 201 Ų | 201 | 66.8 Ų | 66.8 | 94% | 0.939 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.2 | 175.8 | -62.8 | -169.3 | 159.9 | 0 | 0 | 113.8 | S79 | E77-S79 PolarHBondContact O-N 2.92Š|
| 78 | Q | 74.8 | Confident | 90 | Very high | 159 Ų | 159 | 68.3 Ų | 68.3 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.4 | 174.7 | -62.2 | -168.3 | -2.9 | 0 | 0 | 113.5 | D76 | D76-Q78 PolarHBondContact O-N 2.77Š|
| 79 | S | 84.3 | Confident | 89.9 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | trans | -63.7 | 141.4 | 174.1 | -158.5 | 0 | 0 | 0 | 0 | 110.8 | S72 N74 D76 E77 P108 | S72-S79 PolarHBondContact O-OG 3.1Å; N74-S79 PolarHBondContact N-OG 3.17Å; N74-S79 VanDerWaalsContact N-OG 3.14Å; N74-S79 WeakPolarHBondContact O-CB 3.36Å; N74-S79 PolarHBondContact O-OG 3.21Å; N74-S79 WeakPolarHBondContact OD1-CA 3.44Å; N74-S79 WeakPolarHBondContact OD1-CB 3.4Å; N74-S79 PolarHBondContact OD1-N 3.17Å; N74-S79 VanDerWaalsContact OD1-N 3.12Å; N74-S79 PolarHBondContact OD1-OG 3.23Å; D76-S79 WeakPolarHBondContact O-CB 3.28Å; D76-S79 PolarHBondContact O-N 3.4Å; E77-S79 PolarHBondContact O-N 2.92Å; S79-P108 WeakPolarHBondContact O-CB 3.4Å | ||
| 80 | G | 92.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 69 Ų | 69 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.4 | -163.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S72 | S72-G80 PolarHBondContact N-O 2.82Å; S72-G80 PolarHBondContact O-N 2.9Å |
| 81 | Y | 94 | Very high | 89.2 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.7 | -171 | 171.1 | -99.5 | 0 | 0 | 0 | 111.4 | H69 F83 | H69-Y81 HydrophobicContact CB-CE2 3.97Å; H69-Y81 PolarHBondContact CE1-OH 3.01Å; H69-Y81 AromaticContact ND1-CE2 3.71Å; H69-Y81 AromaticContact ND1-CZ 3.6Å; H69-Y81 PolarHBondContact ND1-OH 2.74Å; Y81-F83 HydrophobicContact CE1-CB 3.81Å; Y81-F83 VanDerWaalsContact OH-CD2 3.31Å; Y81-F83 WeakPolarHBondContact OH-CD2 3.38Å |
| 82 | R | 94.5 | Very high | 88.7 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.4 | 175.8 | -170.7 | -176.2 | -131.9 | -164.1 | -6.4 | 109.1 | S70 E105 L106 | S70-R82 PolarHBondContact N-O 2.85Å; S70-R82 WeakPolarHBondContact O-CB 3.1Å; S70-R82 PolarHBondContact O-N 3.08Å; R82-E105 VanDerWaalsContact CD-CD 3.43Å; R82-E105 WeakPolarHBondContact CD-OE2 3.39Å; R82-E105 HydrophobicContact CG-CG 3.74Å; R82-E105 IonicContact CZ-OE1 2.81Å; R82-E105 IonicContact CZ-OE2 2.88Å; R82-E105 IonicContact NE-OE1 2.74Å; R82-E105 PolarHBondContact NE-OE1 3.32Å; R82-E105 IonicContact NE-OE2 3.01Å; R82-E105 PolarHBondContact NE-OE2 3.2Å; R82-E105 IonicContact NH1-OE1 3.77Å; R82-E105 IonicContact NH1-OE2 3.08Å; R82-E105 PolarHBondContact NH1-OE2 3.07Å; R82-E105 VanDerWaalsContact NH1-OE2 3.08Å; R82-E105 VanDerWaalsContact NH2-CD 3.28Å; R82-E105 IonicContact NH2-OE1 2.87Å; R82-E105 PolarHBondContact NH2-OE1 3.21Å; R82-E105 IonicContact NH2-OE2 2.58Å; R82-E105 PolarHBondContact NH2-OE2 3.19Å; R82-L106 VanDerWaalsContact CA-O 3.27Å; R82-L106 WeakPolarHBondContact CA-O 3.32Å; R82-L106 VanDerWaalsContact CG-O 3.31Å; R82-L106 WeakPolarHBondContact CG-O 3.39Å |
| 83 | F | 96 | Very high | 88.3 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 116.9 | 178.2 | 179.4 | -108.2 | 0 | 0 | 0 | 109.8 | V67 H69 Y81 V85 E105 L106 | V67-F83 HydrophobicContact CG1-CD2 4.12Å; V67-F83 HydrophobicContact CG1-CE2 3.23Å; V67-F83 HydrophobicContact CG1-CZ 3.7Å; H69-F83 AromaticContact CE1-CD2 3.67Å; H69-F83 AromaticContact CE1-CE2 3.52Å; H69-F83 AromaticContact ND1-CD2 3.75Å; H69-F83 AromaticContact NE2-CE2 3.96Å; Y81-F83 HydrophobicContact CE1-CB 3.81Å; Y81-F83 VanDerWaalsContact OH-CD2 3.31Å; Y81-F83 WeakPolarHBondContact OH-CD2 3.38Å; F83-V85 HydrophobicContact CD1-CG2 4.2Å; F83-V85 HydrophobicContact CE1-CG2 3.41Å; F83-V85 VanDerWaalsContact CE1-CG2 3.41Å; F83-V85 HydrophobicContact CZ-CG2 3.68Å; F83-E105 CarbonylContact O-C 3.51Å; F83-E105 VanDerWaalsContact O-CA 3.28Å; F83-E105 WeakPolarHBondContact O-CA 3.47Å; F83-L106 HydrophobicContact CB-CB 4.34Å; F83-L106 PolarHBondContact N-O 3.16Å; F83-L106 PolarHBondContact O-N 3.22Å |
| 84 | G | 96.7 | Very high | 87.7 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 145.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V67 N68 G104 | V67-G84 CarbonylContact C-O 3.54Å; V67-G84 WeakPolarHBondContact CA-O 3.27Å; N68-G84 PolarHBondContact N-O 2.83Å; N68-G84 PolarHBondContact O-N 2.83Å; G84-G104 CarbonylContact C-O 3.56Å; G84-G104 WeakPolarHBondContact CA-O 3.31Å |
| 85 | V | 97.4 | Very high | 87.4 | Confident | 33 Ų | 33 | 81.8 Ų | 81.8 | 20% | 0.2 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.9 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | F65 F83 M103 G104 | F65-V85 HydrophobicContact CD2-CG1 4.22Å; F65-V85 HydrophobicContact CE1-CG1 4.08Å; F65-V85 HydrophobicContact CE2-CG1 3.28Å; F65-V85 HydrophobicContact CZ-CG1 3.22Å; F83-V85 HydrophobicContact CD1-CG2 4.2Å; F83-V85 HydrophobicContact CE1-CG2 3.41Å; F83-V85 VanDerWaalsContact CE1-CG2 3.41Å; F83-V85 HydrophobicContact CZ-CG2 3.68Å; V85-M103 WeakPolarHBondContact O-CA 3.28Å; V85-G104 PolarHBondContact N-O 2.82Å; V85-G104 PolarHBondContact O-N 2.77Å |
| 86 | T | 96.7 | Very high | 87.4 | Confident | 21 Ų | 21 | 83 Ų | 83 | 13% | 0.129 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.2 | 169.9 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | F65 Q66 V88 V101 L102 M103 | F65-T86 WeakPolarHBondContact CA-O 3.31Å; Q66-T86 VanDerWaalsContact CG-CB 3.48Å; Q66-T86 HydrophobicContact CG-CG2 4.36Å; Q66-T86 PolarHBondContact N-O 3.01Å; Q66-T86 PolarHBondContact NE2-OG1 2.82Å; Q66-T86 VanDerWaalsContact NE2-OG1 3.16Å; Q66-T86 PolarHBondContact O-N 2.91Å; T86-V88 HydrophobicContact CG2-CG2 4.23Å; T86-V101 HydrophobicContact CG2-CG1 4.13Å; T86-L102 CarbonylContact C-O 3.54Å; T86-L102 VanDerWaalsContact CA-O 3.29Å; T86-L102 WeakPolarHBondContact CA-O 3.4Å; T86-M103 HydrophobicContact CG2-CE 4.03Å; T86-M103 HydrophobicContact CG2-CG 3.83Å |
| 87 | Y | 96.3 | Very high | 87.9 | Confident | 75 Ų | 75 | 81.7 Ų | 81.7 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.6 | 170 | 171.4 | -100 | 0 | 0 | 0 | 109.5 | N64 F65 V101 L102 | N64-Y87 HydrophobicContact CB-CD2 4.42Å; N64-Y87 HydrophobicContact CB-CE2 4.11Å; N64-Y87 CarbonylContact O-C 3.48Å; N64-Y87 VanDerWaalsContact O-CA 3.25Å; N64-Y87 WeakPolarHBondContact O-CA 3.38Å; N64-Y87 VanDerWaalsContact O-CD2 3.28Å; N64-Y87 WeakPolarHBondContact O-CD2 3.44Å; F65-Y87 HydrophobicContact CD2-CD2 4.29Å; Y87-V101 CarbonylContact O-C 3.56Å; Y87-V101 WeakPolarHBondContact O-CA 3.36Å; Y87-L102 HydrophobicContact CD1-CB 4.47Å; Y87-L102 HydrophobicContact CD1-CD1 3.8Å; Y87-L102 HydrophobicContact CD1-CG 4.01Å; Y87-L102 HydrophobicContact CE1-CD1 4.47Å; Y87-L102 PolarHBondContact N-O 2.74Å; Y87-L102 PolarHBondContact O-N 2.71Å |
| 88 | V | 94.5 | Very high | 88.7 | Confident | 44 Ų | 44 | 72.9 Ų | 72.9 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.7 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | N64 T86 V101 | N64-V88 WeakPolarHBondContact CB-O 3.04Å; N64-V88 PolarHBondContact ND2-O 3.29Å; N64-V88 PolarHBondContact O-N 2.84Å; T86-V88 HydrophobicContact CG2-CG2 4.23Å; V88-V101 HydrophobicContact CG2-CG1 4.34Å |
| 89 | G | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S98 P100 | G89-S98 WeakPolarHBondContact O-CB 3.37Å; G89-P100 PolarHBondContact N-O 2.77Å |
| 90 | H | 87.9 | Confident | 90.1 | Very high | 135 Ų | 135 | 66.1 Ų | 66.1 | 63% | 0.625 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -11.6 | -174.3 | -61.5 | -75.2 | 0 | 0 | 0 | 114.3 | N64 K92 | N64-H90 PolarHBondContact OD1-CE1 2.98Å; N64-H90 VanDerWaalsContact OD1-CE1 3.27Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.11Å |
| 91 | N | 87.5 | Confident | 90.2 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 84.8 | -178.1 | -167.4 | 7.1 | 0 | 0 | 0 | 110.1 | S98 Y99 | N91-S98 WeakPolarHBondContact O-CA 3.35Å; N91-Y99 WeakPolarHBondContact CB-O 3.33Å; N91-Y99 PolarHBondContact N-O 3.23Å; N91-Y99 PolarHBondContact O-N 3.16Å |
| 92 | K | 84 | Confident | 90.4 | Very high | 152 Ų | 152 | 64.2 Ų | 64.2 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.9 | 177.2 | -73 | -170.2 | 170.5 | -164.9 | 0 | 110.5 | H90 S98 | H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.11Å; K92-S98 WeakPolarHBondContact CG-OG 3.36Å |
| 93 | V | 83.7 | Confident | 90.5 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -102.7 | -36.7 | 177 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | E97 Y99 | V93-E97 PolarHBondContact N-O 2.9Å; V93-Y99 HydrophobicContact CG2-CD2 3.83Å; V93-Y99 HydrophobicContact CG2-CE2 4.1Å |
| 94 | S | 79.7 | Confident | 90.5 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -139.8 | 178 | 172 | 65.8 | 0 | 0 | 0 | 0 | 108.9 | T96 E97 | S94-T96 PolarHBondContact O-N 3.02Å; S94-T96 PolarHBondContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-OG1 3.32Å; S94-E97 PolarHBondContact N-O 2.93Å; S94-E97 WeakPolarHBondContact OG-CB 3.48Å; S94-E97 PolarHBondContact OG-N 3.14Å |
| 95 | D | 76.8 | Confident | 90.4 | Very high | 168 Ų | 168 | 62.8 Ų | 62.8 | 90% | 0.898 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -62.4 | -23.5 | 173.4 | -64.4 | -33.3 | 0 | 0 | 0 | 112.6 | ||
| 96 | T | 77.7 | Confident | 90.3 | Very high | 127 Ų | 127 | 64.6 Ų | 64.6 | 78% | 0.779 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -100.4 | -27.4 | -177.6 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | S94 | S94-T96 PolarHBondContact O-N 3.02Å; S94-T96 PolarHBondContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-OG1 3.32Å |
| 97 | E | 85.8 | Confident | 90 | Very high | 65 Ų | 65 | 65.9 Ų | 65.9 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | trans | -116.3 | 125.6 | -171 | -62.4 | -169.1 | -175.1 | 0 | 0 | 112.8 | V93 S94 Y99 | V93-E97 PolarHBondContact N-O 2.9Å; S94-E97 PolarHBondContact N-O 2.93Å; S94-E97 WeakPolarHBondContact OG-CB 3.48Å; S94-E97 PolarHBondContact OG-N 3.14Å; E97-Y99 HydrophobicContact CB-CE2 3.93Å; E97-Y99 WeakPolarHBondContact OE2-CE2 3.25Å; E97-Y99 PolarHBondContact OE2-OH 2.88Å | ||
| 98 | S | 90.4 | Very high | 89.6 | Confident | 16 Ų | 16 | 65 Ų | 65 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.5 | 171.5 | -44 | 0 | 0 | 0 | 0 | 110.6 | G89 N91 K92 V101 | G89-S98 WeakPolarHBondContact O-CB 3.37Å; N91-S98 WeakPolarHBondContact O-CA 3.35Å; K92-S98 WeakPolarHBondContact CG-OG 3.36Å; S98-V101 VanDerWaalsContact O-CG2 3.25Å; S98-V101 WeakPolarHBondContact O-CG2 3.42Å |
| 99 | Y | 91.5 | Very high | 89.2 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 6% | 0.059 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 156.3 | -174.8 | -63.3 | -81.5 | 0 | 0 | 0 | 112.6 | N91 V93 E97 V101 I117 R119 Y125 | N91-Y99 WeakPolarHBondContact CB-O 3.33Å; N91-Y99 PolarHBondContact N-O 3.23Å; N91-Y99 PolarHBondContact O-N 3.16Å; V93-Y99 HydrophobicContact CG2-CD2 3.83Å; V93-Y99 HydrophobicContact CG2-CE2 4.1Å; E97-Y99 HydrophobicContact CB-CE2 3.93Å; E97-Y99 WeakPolarHBondContact OE2-CE2 3.25Å; E97-Y99 PolarHBondContact OE2-OH 2.88Å; Y99-V101 HydrophobicContact CD1-CG2 4.47Å; Y99-I117 HydrophobicContact CD1-CG2 4.42Å; Y99-I117 HydrophobicContact CE1-CG2 3.93Å; Y99-R119 HydrophobicContact CD1-CB 4.28Å; Y99-R119 HydrophobicContact CD2-CB 3.78Å; Y99-R119 HydrophobicContact CE2-CB 4.18Å; Y99-R119 HydrophobicContact CG-CB 3.84Å; Y99-Y125 HydrophobicContact CE1-CD1 4.18Å; Y99-Y125 HydrophobicContact CE1-CE1 4.29Å; Y99-Y125 AromaticContact CE2-CE1 3.91Å; Y99-Y125 HydrophobicContact CE2-CE1 3.91Å; Y99-Y125 AromaticContact CZ-CD1 3.94Å; Y99-Y125 AromaticContact CZ-CE1 3.6Å; Y99-Y125 WeakPolarHBondContact OH-CE1 3.22Å |
| 100 | P | 95.1 | Very high | 89 | Confident | 41 Ų | 41 | 69 Ų | 69 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -70.6 | 154.3 | -9.7 | 30.7 | -35.4 | 0 | 0 | 0 | 112.7 | G89 L102 I117 H118 | G89-P100 PolarHBondContact N-O 2.77Å; P100-L102 HydrophobicContact CB-CD2 4.36Å; P100-I117 CarbonylContact C-O 3.6Å; P100-I117 WeakPolarHBondContact CA-O 3.42Å; P100-H118 HydrophobicContact CB-CB 4.26Å |
| 101 | V | 96.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 12% | 0.121 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.2 | 166.9 | -175 | 0 | 0 | 0 | 0 | 108.1 | T86 Y87 V88 S98 Y99 M103 I116 I117 | T86-V101 HydrophobicContact CG2-CG1 4.13Å; Y87-V101 CarbonylContact O-C 3.56Å; Y87-V101 WeakPolarHBondContact O-CA 3.36Å; V88-V101 HydrophobicContact CG2-CG1 4.34Å; S98-V101 VanDerWaalsContact O-CG2 3.25Å; S98-V101 WeakPolarHBondContact O-CG2 3.42Å; Y99-V101 HydrophobicContact CD1-CG2 4.47Å; V101-M103 HydrophobicContact CG1-CE 3.65Å; V101-M103 HydrophobicContact CG1-CG 4.25Å; V101-I116 CarbonylContact O-C 3.52Å; V101-I116 WeakPolarHBondContact O-CA 3.27Å; V101-I117 HydrophobicContact CB-CB 4.25Å; V101-I117 PolarHBondContact N-O 2.82Å; V101-I117 PolarHBondContact O-N 2.78Å |
| 102 | L | 97.3 | Very high | 89.4 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.4 | 176.6 | -49 | 176.4 | 0 | 0 | 0 | 107.7 | T86 Y87 P100 Q115 I116 | T86-L102 CarbonylContact C-O 3.54Å; T86-L102 VanDerWaalsContact CA-O 3.29Å; T86-L102 WeakPolarHBondContact CA-O 3.4Å; Y87-L102 HydrophobicContact CD1-CB 4.47Å; Y87-L102 HydrophobicContact CD1-CD1 3.8Å; Y87-L102 HydrophobicContact CD1-CG 4.01Å; Y87-L102 HydrophobicContact CE1-CD1 4.47Å; Y87-L102 PolarHBondContact N-O 2.74Å; Y87-L102 PolarHBondContact O-N 2.71Å; P100-L102 HydrophobicContact CB-CD2 4.36Å; L102-Q115 CarbonylContact C-O 3.6Å; L102-Q115 WeakPolarHBondContact CA-O 3.47Å; L102-I116 HydrophobicContact CD2-CB 4.1Å; L102-I116 HydrophobicContact CD2-CD1 4.17Å; L102-I116 HydrophobicContact CD2-CG1 3.73Å; L102-I116 HydrophobicContact CD2-CG2 3.71Å |
| 103 | M | 96.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 37% | 0.365 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.8 | 173.9 | -59.4 | -179.4 | -179 | 0 | 0 | 108.3 | V85 T86 V101 A114 Q115 | V85-M103 WeakPolarHBondContact O-CA 3.28Å; T86-M103 HydrophobicContact CG2-CE 4.03Å; T86-M103 HydrophobicContact CG2-CG 3.83Å; V101-M103 HydrophobicContact CG1-CE 3.65Å; V101-M103 HydrophobicContact CG1-CG 4.25Å; M103-A114 CarbonylContact O-C 3.56Å; M103-A114 WeakPolarHBondContact O-CA 3.42Å; M103-Q115 HydrophobicContact CB-CB 4.28Å; M103-Q115 PolarHBondContact N-O 3.37Å; M103-Q115 PolarHBondContact O-N 2.76Å |
| 104 | G | 96.5 | Very high | 90.4 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G84 V85 Q113 | G84-G104 CarbonylContact C-O 3.56Å; G84-G104 WeakPolarHBondContact CA-O 3.31Å; V85-G104 PolarHBondContact N-O 2.82Å; V85-G104 PolarHBondContact O-N 2.77Å; G104-Q113 CarbonylContact C-O 3.58Å; G104-Q113 WeakPolarHBondContact CA-O 3.27Å |
| 105 | E | 95.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 129.7 | -174.9 | -164.8 | -160.7 | 73 | 0 | 0 | 111 | R82 F83 M112 Q113 | R82-E105 VanDerWaalsContact CD-CD 3.43Å; R82-E105 WeakPolarHBondContact CD-OE2 3.39Å; R82-E105 HydrophobicContact CG-CG 3.74Å; R82-E105 IonicContact CZ-OE1 2.81Å; R82-E105 IonicContact CZ-OE2 2.88Å; R82-E105 IonicContact NE-OE1 2.74Å; R82-E105 PolarHBondContact NE-OE1 3.32Å; R82-E105 IonicContact NE-OE2 3.01Å; R82-E105 PolarHBondContact NE-OE2 3.2Å; R82-E105 IonicContact NH1-OE1 3.77Å; R82-E105 IonicContact NH1-OE2 3.08Å; R82-E105 PolarHBondContact NH1-OE2 3.07Å; R82-E105 VanDerWaalsContact NH1-OE2 3.08Å; R82-E105 VanDerWaalsContact NH2-CD 3.28Å; R82-E105 IonicContact NH2-OE1 2.87Å; R82-E105 PolarHBondContact NH2-OE1 3.21Å; R82-E105 IonicContact NH2-OE2 2.58Å; R82-E105 PolarHBondContact NH2-OE2 3.19Å; F83-E105 CarbonylContact O-C 3.51Å; F83-E105 VanDerWaalsContact O-CA 3.28Å; F83-E105 WeakPolarHBondContact O-CA 3.47Å; E105-M112 CarbonylContact O-C 3.46Å; E105-M112 VanDerWaalsContact O-CA 3.27Å; E105-M112 WeakPolarHBondContact O-CA 3.45Å; E105-Q113 PolarHBondContact N-O 3.32Å; E105-Q113 PolarHBondContact O-N 2.78Å |
| 106 | L | 94.2 | Very high | 92.2 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.2 | 174.4 | -175.2 | 68.5 | 0 | 0 | 0 | 108.8 | R82 F83 | R82-L106 VanDerWaalsContact CA-O 3.27Å; R82-L106 WeakPolarHBondContact CA-O 3.32Å; R82-L106 VanDerWaalsContact CG-O 3.31Å; R82-L106 WeakPolarHBondContact CG-O 3.39Å; F83-L106 HydrophobicContact CB-CB 4.34Å; F83-L106 PolarHBondContact N-O 3.16Å; F83-L106 PolarHBondContact O-N 3.22Å |
| 107 | Q | 90.7 | Very high | 93.1 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | trans | -89.2 | 159.6 | 179.2 | -60.8 | 174.3 | 12.4 | 0 | 0 | 110.9 | S109 G110 N111 | Q107-S109 PolarHBondContact O-N 2.85Å; Q107-S109 VanDerWaalsContact O-N 3.13Å; Q107-G110 PolarHBondContact O-N 2.96Å; Q107-N111 HydrophobicContact CB-CB 4.47Å; Q107-N111 WeakPolarHBondContact CB-O 3.47Å; Q107-N111 PolarHBondContact N-O 2.82Å | ||
| 108 | P | 88.6 | Confident | 93.5 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.6 | 179.7 | -26.4 | 34.4 | 0 | 0 | 0 | 114.3 | S79 G110 | S79-P108 WeakPolarHBondContact O-CB 3.4Å; P108-G110 PolarHBondContact O-N 2.75Å; P108-G110 VanDerWaalsContact O-N 3.17Å |
| 109 | S | 85.8 | Confident | 93.7 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 55% | 0.552 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -5.1 | 176 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | Q107 N111 | Q107-S109 PolarHBondContact O-N 2.85Å; Q107-S109 VanDerWaalsContact O-N 3.13Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact OG-ND2 3.3Å |
| 110 | G | 87 | Confident | 93.6 | Very high | 50 Ų | 50 | 57 Ų | 57 | 52% | 0.515 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 81.9 | 0.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q107 P108 | Q107-G110 PolarHBondContact O-N 2.96Å; P108-G110 PolarHBondContact O-N 2.75Å; P108-G110 VanDerWaalsContact O-N 3.17Å |
| 111 | N | 91.2 | Very high | 93.4 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | trans | -71.9 | 144.2 | 173.2 | -65.5 | -26.5 | 0 | 0 | 0 | 110.4 | Q107 S109 L132 Q133 | Q107-N111 HydrophobicContact CB-CB 4.47Å; Q107-N111 WeakPolarHBondContact CB-O 3.47Å; Q107-N111 PolarHBondContact N-O 2.82Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact OG-ND2 3.3Å; N111-L132 CarbonylContact C-O 3.6Å; N111-L132 WeakPolarHBondContact CA-O 3.43Å; N111-Q133 HydrophobicContact CB-CG 4.46Å; N111-Q133 WeakPolarHBondContact OD1-CA 3.26Å | ||
| 112 | M | 92.9 | Very high | 93 | Very high | 91 Ų | 91 | 64.4 Ų | 64.4 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.3 | 178.4 | 177.8 | -178.1 | -96.3 | 0 | 0 | 110.2 | E105 Q131 L132 | E105-M112 CarbonylContact O-C 3.46Å; E105-M112 VanDerWaalsContact O-CA 3.27Å; E105-M112 WeakPolarHBondContact O-CA 3.45Å; M112-Q131 CarbonylContact O-C 3.59Å; M112-Q131 WeakPolarHBondContact O-CA 3.29Å; M112-L132 HydrophobicContact CB-CB 4.17Å; M112-L132 PolarHBondContact N-O 2.58Å; M112-L132 PolarHBondContact O-N 2.82Å |
| 113 | Q | 94.3 | Very high | 92.7 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.4 | 167.8 | -174.5 | 171 | 22.2 | 0 | 0 | 109 | G104 E105 I129 A130 Q131 | G104-Q113 CarbonylContact C-O 3.58Å; G104-Q113 WeakPolarHBondContact CA-O 3.27Å; E105-Q113 PolarHBondContact N-O 3.32Å; E105-Q113 PolarHBondContact O-N 2.78Å; Q113-I129 HydrophobicContact CG-CG2 4.34Å; Q113-A130 CarbonylContact C-O 3.57Å; Q113-A130 WeakPolarHBondContact CA-O 3.35Å; Q113-Q131 HydrophobicContact CG-CG 4.22Å |
| 114 | A | 96 | Very high | 92.6 | Very high | 38 Ų | 38 | 60.9 Ų | 60.9 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | M103 I129 A130 | M103-A114 CarbonylContact O-C 3.56Å; M103-A114 WeakPolarHBondContact O-CA 3.42Å; A114-I129 CarbonylContact O-C 3.52Å; A114-I129 WeakPolarHBondContact O-CA 3.35Å; A114-A130 PolarHBondContact N-O 2.62Å; A114-A130 PolarHBondContact O-N 3.45Å |
| 115 | Q | 96.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.9 | 177.9 | 174.5 | 175.6 | 6.2 | 0 | 0 | 110.2 | L102 M103 I117 Y128 I129 | L102-Q115 CarbonylContact C-O 3.6Å; L102-Q115 WeakPolarHBondContact CA-O 3.47Å; M103-Q115 HydrophobicContact CB-CB 4.28Å; M103-Q115 PolarHBondContact N-O 3.37Å; M103-Q115 PolarHBondContact O-N 2.76Å; Q115-I117 HydrophobicContact CG-CG1 4.17Å; Q115-Y128 CarbonylContact C-O 3.59Å; Q115-Y128 VanDerWaalsContact CA-O 3.26Å; Q115-Y128 WeakPolarHBondContact CA-O 3.41Å; Q115-I129 HydrophobicContact CB-CG1 4.14Å; Q115-I129 HydrophobicContact CG-CG1 3.84Å |
| 116 | I | 97.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 61 Ų | 61 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.2 | 176.1 | -57.7 | -176.4 | 0 | 0 | 0 | 107.2 | V101 L102 R127 Y128 | V101-I116 CarbonylContact O-C 3.52Å; V101-I116 WeakPolarHBondContact O-CA 3.27Å; L102-I116 HydrophobicContact CD2-CB 4.1Å; L102-I116 HydrophobicContact CD2-CD1 4.17Å; L102-I116 HydrophobicContact CD2-CG1 3.73Å; L102-I116 HydrophobicContact CD2-CG2 3.71Å; I116-R127 CarbonylContact O-C 3.51Å; I116-R127 VanDerWaalsContact O-CA 3.25Å; I116-R127 WeakPolarHBondContact O-CA 3.25Å; I116-Y128 PolarHBondContact N-O 2.76Å; I116-Y128 PolarHBondContact O-N 3.27Å |
| 117 | I | 95.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 60.8 Ų | 60.8 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.2 | 172 | -50.3 | 171.7 | 0 | 0 | 0 | 107.2 | Y99 P100 V101 Q115 V126 R127 | Y99-I117 HydrophobicContact CD1-CG2 4.42Å; Y99-I117 HydrophobicContact CE1-CG2 3.93Å; P100-I117 CarbonylContact C-O 3.6Å; P100-I117 WeakPolarHBondContact CA-O 3.42Å; V101-I117 HydrophobicContact CB-CB 4.25Å; V101-I117 PolarHBondContact N-O 2.82Å; V101-I117 PolarHBondContact O-N 2.78Å; Q115-I117 HydrophobicContact CG-CG1 4.17Å; I117-V126 WeakPolarHBondContact CA-O 3.05Å; I117-R127 HydrophobicContact CG1-CG 4.22Å |
| 118 | H | 95.1 | Very high | 92.9 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 33% | 0.329 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.7 | -178.3 | -171.9 | 53.6 | 0 | 0 | 0 | 111.8 | P100 M120 Y125 V126 | P100-H118 HydrophobicContact CB-CB 4.26Å; H118-M120 PolarHBondContact O-N 3.02Å; H118-Y125 CarbonylContact O-C 3.53Å; H118-Y125 WeakPolarHBondContact O-CA 3.37Å; H118-V126 PolarHBondContact N-O 2.82Å; H118-V126 PolarHBondContact O-N 2.82Å |
| 119 | R | 93.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 60.5 Ų | 60.5 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 93.8 | 170.7 | -175.4 | -178.9 | -178.5 | -144.3 | 7.5 | 108.8 | Y99 F121 P122 Y125 | Y99-R119 HydrophobicContact CD1-CB 4.28Å; Y99-R119 HydrophobicContact CD2-CB 3.78Å; Y99-R119 HydrophobicContact CE2-CB 4.18Å; Y99-R119 HydrophobicContact CG-CB 3.84Å; R119-F121 VanDerWaalsContact CG-O 3.28Å; R119-F121 WeakPolarHBondContact CG-O 3.19Å; R119-P122 PolarHBondContact NE-O 2.72Å; R119-P122 VanDerWaalsContact NE-O 3.09Å; R119-P122 PolarHBondContact NH2-O 3.41Å; R119-Y125 HydrophobicContact CB-CD1 4.03Å; R119-Y125 HydrophobicContact CB-CE1 3.92Å; R119-Y125 HydrophobicContact CG-CD1 4.21Å; R119-Y125 HydrophobicContact CG-CE1 3.81Å |
| 120 | M | 90 | Very high | 93.7 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -40.1 | -177.5 | -168.9 | 172.9 | -164.8 | 0 | 0 | 111.9 | H118 V124 V126 | H118-M120 PolarHBondContact O-N 3.02Å; M120-V124 PolarHBondContact N-O 2.97Å; M120-V126 HydrophobicContact CB-CG2 4.08Å; M120-V126 HydrophobicContact SD-CG2 4.25Å |
| 121 | F | 91.1 | Very high | 94 | Very high | 124 Ų | 124 | 58.5 Ų | 58.5 | 54% | 0.544 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 165 | 172.6 | -61.2 | -76.1 | 0 | 0 | 0 | 109.7 | R119 S123 V124 | R119-F121 VanDerWaalsContact CG-O 3.28Å; R119-F121 WeakPolarHBondContact CG-O 3.19Å; F121-S123 PolarHBondContact O-N 2.74Å; F121-V124 HydrophobicContact CB-CB 4.01Å; F121-V124 HydrophobicContact CB-CG2 4.12Å; F121-V124 HydrophobicContact CD2-CB 4.13Å; F121-V124 HydrophobicContact CD2-CG2 4.26Å; F121-V124 PolarHBondContact N-O 2.9Å; F121-V124 PolarHBondContact O-N 2.96Å; F121-V124 VanDerWaalsContact O-O 3.1Å |
| 122 | P | 87.5 | Confident | 94.1 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -28.6 | -174.2 | -33.1 | 37.9 | 0 | 0 | 0 | 116.5 | R119 | R119-P122 PolarHBondContact NE-O 2.72Å; R119-P122 VanDerWaalsContact NE-O 3.09Å; R119-P122 PolarHBondContact NH2-O 3.41Å |
| 123 | S | 90.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 4.4 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 114 | F121 Y146 R147 | F121-S123 PolarHBondContact O-N 2.74Å; S123-Y146 CarbonylContact O-C 3.59Å; S123-Y146 VanDerWaalsContact O-CA 3.32Å; S123-Y146 WeakPolarHBondContact O-CA 3.37Å; S123-Y146 WeakPolarHBondContact O-CD2 3.41Å; S123-R147 WeakPolarHBondContact CB-O 3.15Å; S123-R147 PolarHBondContact O-N 2.83Å |
| 124 | V | 94.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 67.8 Ų | 67.8 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.7 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | M120 F121 V144 E145 Y146 | M120-V124 PolarHBondContact N-O 2.97Å; F121-V124 HydrophobicContact CB-CB 4.01Å; F121-V124 HydrophobicContact CB-CG2 4.12Å; F121-V124 HydrophobicContact CD2-CB 4.13Å; F121-V124 HydrophobicContact CD2-CG2 4.26Å; F121-V124 PolarHBondContact N-O 2.9Å; F121-V124 PolarHBondContact O-N 2.96Å; F121-V124 VanDerWaalsContact O-O 3.1Å; V124-V144 HydrophobicContact CG1-CG1 3.86Å; V124-E145 CarbonylContact C-O 3.48Å; V124-E145 WeakPolarHBondContact CA-O 3.46Å; V124-Y146 HydrophobicContact CG2-CD2 4.03Å |
| 125 | Y | 94.4 | Very high | 92.4 | Very high | 24 Ų | 24 | 74.5 Ų | 74.5 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137 | 176.8 | -60.7 | -99 | 0 | 0 | 0 | 108.3 | Y99 H118 R119 V144 E145 R147 | Y99-Y125 HydrophobicContact CE1-CD1 4.18Å; Y99-Y125 HydrophobicContact CE1-CE1 4.29Å; Y99-Y125 AromaticContact CE2-CE1 3.91Å; Y99-Y125 HydrophobicContact CE2-CE1 3.91Å; Y99-Y125 AromaticContact CZ-CD1 3.94Å; Y99-Y125 AromaticContact CZ-CE1 3.6Å; Y99-Y125 WeakPolarHBondContact OH-CE1 3.22Å; H118-Y125 CarbonylContact O-C 3.53Å; H118-Y125 WeakPolarHBondContact O-CA 3.37Å; R119-Y125 HydrophobicContact CB-CD1 4.03Å; R119-Y125 HydrophobicContact CB-CE1 3.92Å; R119-Y125 HydrophobicContact CG-CD1 4.21Å; R119-Y125 HydrophobicContact CG-CE1 3.81Å; Y125-V144 WeakPolarHBondContact O-CA 3.03Å; Y125-E145 PolarHBondContact N-O 3.05Å; Y125-E145 PolarHBondContact O-N 2.8Å; Y125-R147 HydrophobicContact CD2-CB 4.14Å; Y125-R147 HydrophobicContact CD2-CG 3.82Å; Y125-R147 HydrophobicContact CE2-CB 3.91Å; Y125-R147 HydrophobicContact CE2-CG 4.02Å |
| 126 | V | 96.7 | Very high | 91.8 | Very high | 46 Ų | 46 | 82 Ų | 82 | 28% | 0.279 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.7 | 176.9 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | I117 H118 M120 C143 V144 | I117-V126 WeakPolarHBondContact CA-O 3.05Å; H118-V126 PolarHBondContact N-O 2.82Å; H118-V126 PolarHBondContact O-N 2.82Å; M120-V126 HydrophobicContact CB-CG2 4.08Å; M120-V126 HydrophobicContact SD-CG2 4.25Å; V126-C143 CarbonylContact C-O 3.59Å; V126-C143 WeakPolarHBondContact CA-O 3.16Å; V126-V144 HydrophobicContact CG2-CG2 4.45Å |
| 127 | R | 96.3 | Very high | 91.1 | Very high | 67 Ų | 67 | 84.4 Ų | 84.4 | 25% | 0.253 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.1 | 174.3 | 174.4 | 175.7 | 61 | -179 | -1.2 | 108.7 | I116 I117 I129 C143 E145 | I116-R127 CarbonylContact O-C 3.51Å; I116-R127 VanDerWaalsContact O-CA 3.25Å; I116-R127 WeakPolarHBondContact O-CA 3.25Å; I117-R127 HydrophobicContact CG1-CG 4.22Å; R127-I129 HydrophobicContact CG-CG1 4.32Å; R127-C143 HydrophobicContact CB-CB 4.2Å; R127-C143 PolarHBondContact N-O 2.83Å; R127-C143 PolarHBondContact O-N 3.18Å; R127-E145 IonicContact CZ-OE1 2.87Å; R127-E145 IonicContact NH2-OE1 3.69Å |
| 128 | Y | 97 | Very high | 90.4 | Very high | 75 Ų | 75 | 84.9 Ų | 84.9 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.2 | 174.4 | 178.7 | -106.6 | 0 | 0 | 0 | 109.2 | Q115 I116 A130 Q140 Q141 A142 | Q115-Y128 CarbonylContact C-O 3.59Å; Q115-Y128 VanDerWaalsContact CA-O 3.26Å; Q115-Y128 WeakPolarHBondContact CA-O 3.41Å; I116-Y128 PolarHBondContact N-O 2.76Å; I116-Y128 PolarHBondContact O-N 3.27Å; Y128-A130 HydrophobicContact CE1-CB 3.75Å; Y128-Q140 HydrophobicContact CE2-CB 4.38Å; Y128-Q140 PolarHBondContact OH-OE1 2.83Å; Y128-Q141 CarbonylContact C-O 3.51Å; Y128-Q141 WeakPolarHBondContact CA-O 3.33Å; Y128-Q141 WeakPolarHBondContact CD2-O 3.39Å; Y128-A142 HydrophobicContact CD2-CB 4.16Å |
| 129 | I | 96.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 81.9 Ų | 81.9 | 11% | 0.113 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.7 | 177.3 | -58.3 | 169.6 | 0 | 0 | 0 | 107.3 | Q113 A114 Q115 R127 Q140 Q141 | Q113-I129 HydrophobicContact CG-CG2 4.34Å; A114-I129 CarbonylContact O-C 3.52Å; A114-I129 WeakPolarHBondContact O-CA 3.35Å; Q115-I129 HydrophobicContact CB-CG1 4.14Å; Q115-I129 HydrophobicContact CG-CG1 3.84Å; R127-I129 HydrophobicContact CG-CG1 4.32Å; I129-Q140 CarbonylContact O-C 3.6Å; I129-Q140 WeakPolarHBondContact O-CA 3.35Å; I129-Q141 HydrophobicContact CB-CB 4.29Å; I129-Q141 PolarHBondContact N-O 2.82Å; I129-Q141 PolarHBondContact O-N 3.06Å |
| 130 | A | 95 | Very high | 90.1 | Very high | 8 Ų | 8 | 82.3 Ų | 82.3 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q113 A114 Y128 F137 | Q113-A130 CarbonylContact C-O 3.57Å; Q113-A130 WeakPolarHBondContact CA-O 3.35Å; A114-A130 PolarHBondContact N-O 2.62Å; A114-A130 PolarHBondContact O-N 3.45Å; Y128-A130 HydrophobicContact CE1-CB 3.75Å; A130-F137 HydrophobicContact CB-CD1 4.1Å; A130-F137 HydrophobicContact CB-CE1 3.97Å |
| 131 | Q | 93.3 | Very high | 90.3 | Very high | 79 Ų | 79 | 79.4 Ų | 79.4 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.2 | 172.5 | -68.2 | -179.7 | -10.1 | 0 | 0 | 108.6 | M112 Q113 G138 G139 | M112-Q131 CarbonylContact O-C 3.59Å; M112-Q131 WeakPolarHBondContact O-CA 3.29Å; Q113-Q131 HydrophobicContact CG-CG 4.22Å; Q131-G138 PolarHBondContact O-N 2.8Å; Q131-G139 PolarHBondContact N-O 3.1Å; Q131-G139 PolarHBondContact O-N 2.79Å |
| 132 | L | 92.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.6 | 179.1 | -133.3 | 70.3 | 0 | 0 | 0 | 109.3 | N111 M112 R136 F137 | N111-L132 CarbonylContact C-O 3.6Å; N111-L132 WeakPolarHBondContact CA-O 3.43Å; M112-L132 HydrophobicContact CB-CB 4.17Å; M112-L132 PolarHBondContact N-O 2.58Å; M112-L132 PolarHBondContact O-N 2.82Å; L132-R136 CarbonylContact C-O 3.57Å; L132-R136 WeakPolarHBondContact CA-O 3.37Å; L132-F137 HydrophobicContact CD1-CB 4.39Å; L132-F137 HydrophobicContact CD1-CD1 3.35Å; L132-F137 HydrophobicContact CD1-CD2 3.99Å; L132-F137 HydrophobicContact CD1-CE1 3.42Å; L132-F137 VanDerWaalsContact CD1-CE1 3.42Å; L132-F137 HydrophobicContact CD1-CE2 4.05Å; L132-F137 HydrophobicContact CD1-CG 3.65Å; L132-F137 HydrophobicContact CD1-CZ 3.78Å |
| 133 | Q | 87.9 | Confident | 91 | Very high | 97 Ų | 97 | 71 Ų | 71 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.4 | 175.5 | -61.4 | -176.4 | -15.8 | 0 | 0 | 108.4 | N111 H135 R136 | N111-Q133 HydrophobicContact CB-CG 4.46Å; N111-Q133 WeakPolarHBondContact OD1-CA 3.26Å; Q133-H135 VanDerWaalsContact C-N 3.3Å; Q133-H135 PolarHBondContact O-N 2.77Å; Q133-R136 PolarHBondContact N-O 2.67Å; Q133-R136 PolarHBondContact O-N 2.79Å |
| 134 | R | 82.3 | Confident | 91.3 | Very high | 224 Ų | 224 | 72.6 Ų | 72.6 | 85% | 0.845 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 50.4 | 179.5 | -57.2 | -177.9 | 179.9 | -177.6 | 0.3 | 113.1 | R136 | R134-R136 PolarHBondContact O-N 2.84Š|
| 135 | H | 76.9 | Confident | 91.4 | Very high | 180 Ų | 180 | 71.6 Ų | 71.6 | 83% | 0.833 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 7.3 | 179.8 | -41.1 | -73.8 | 0 | 0 | 0 | 116.3 | Q133 | Q133-H135 VanDerWaalsContact C-N 3.3Å; Q133-H135 PolarHBondContact O-N 2.77Å |
| 136 | R | 84.2 | Confident | 91.4 | Very high | 200 Ų | 200 | 74.7 Ų | 74.7 | 76% | 0.755 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.9 | 173.4 | -63.4 | -174.6 | 179.7 | -175.4 | -0 | 110.4 | L132 Q133 R134 G138 | L132-R136 CarbonylContact C-O 3.57Å; L132-R136 WeakPolarHBondContact CA-O 3.37Å; Q133-R136 PolarHBondContact N-O 2.67Å; Q133-R136 PolarHBondContact O-N 2.79Å; R134-R136 PolarHBondContact O-N 2.84Å; R136-G138 PolarHBondContact O-N 2.76Å; R136-G138 VanDerWaalsContact O-N 3.16Å |
| 137 | F | 82.4 | Confident | 91.2 | Very high | 126 Ų | 126 | 76.3 Ų | 76.3 | 55% | 0.553 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 107.9 | 168.9 | -69.6 | -83.1 | 0 | 0 | 0 | 108.7 | A130 L132 Q140 | A130-F137 HydrophobicContact CB-CD1 4.1Å; A130-F137 HydrophobicContact CB-CE1 3.97Å; L132-F137 HydrophobicContact CD1-CB 4.39Å; L132-F137 HydrophobicContact CD1-CD1 3.35Å; L132-F137 HydrophobicContact CD1-CD2 3.99Å; L132-F137 HydrophobicContact CD1-CE1 3.42Å; L132-F137 VanDerWaalsContact CD1-CE1 3.42Å; L132-F137 HydrophobicContact CD1-CE2 4.05Å; L132-F137 HydrophobicContact CD1-CG 3.65Å; L132-F137 HydrophobicContact CD1-CZ 3.78Å; F137-Q140 HydrophobicContact CB-CG 4.28Å; F137-Q140 HydrophobicContact CD1-CG 4.19Å |
| 138 | G | 82.1 | Confident | 91 | Very high | 48 Ų | 48 | 78 Ų | 78 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q131 R136 | Q131-G138 PolarHBondContact O-N 2.8Å; R136-G138 PolarHBondContact O-N 2.76Å; R136-G138 VanDerWaalsContact O-N 3.16Å |
| 139 | G | 88.5 | Confident | 90.6 | Very high | 8 Ų | 8 | 79.7 Ų | 79.7 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q131 N159 | Q131-G139 PolarHBondContact N-O 3.1Å; Q131-G139 PolarHBondContact O-N 2.79Å; G139-N159 WeakPolarHBondContact CA-OD1 3.48Å |
| 140 | Q | 92.9 | Very high | 90.4 | Very high | 72 Ų | 72 | 85.9 Ų | 85.9 | 34% | 0.336 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135.7 | 178.1 | -62.6 | -174.5 | 51.6 | 0 | 0 | 109.4 | Y128 I129 F137 N159 | Y128-Q140 HydrophobicContact CE2-CB 4.38Å; Y128-Q140 PolarHBondContact OH-OE1 2.83Å; I129-Q140 CarbonylContact O-C 3.6Å; I129-Q140 WeakPolarHBondContact O-CA 3.35Å; F137-Q140 HydrophobicContact CB-CG 4.28Å; F137-Q140 HydrophobicContact CD1-CG 4.19Å; Q140-N159 PolarHBondContact N-OD1 3.19Å; Q140-N159 WeakPolarHBondContact O-CA 3.07Å; Q140-N159 PolarHBondContact O-N 2.92Å; Q140-N159 PolarHBondContact O-OD1 3.21Å |
| 141 | Q | 95 | Very high | 90.3 | Very high | 56 Ų | 56 | 87.5 Ų | 87.5 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.6 | 176.3 | 176.4 | 179.5 | -6.6 | 0 | 0 | 109.1 | Y128 I129 T156 L157 I158 | Y128-Q141 CarbonylContact C-O 3.51Å; Y128-Q141 WeakPolarHBondContact CA-O 3.33Å; Y128-Q141 WeakPolarHBondContact CD2-O 3.39Å; I129-Q141 HydrophobicContact CB-CB 4.29Å; I129-Q141 PolarHBondContact N-O 2.82Å; I129-Q141 PolarHBondContact O-N 3.06Å; Q141-T156 HydrophobicContact CG-CG2 3.67Å; Q141-T156 VanDerWaalsContact NE2-CG2 3.32Å; Q141-L157 CarbonylContact C-O 3.43Å; Q141-L157 VanDerWaalsContact CA-O 3.28Å; Q141-L157 WeakPolarHBondContact CA-O 3.3Å; Q141-I158 HydrophobicContact CG-CG1 4.1Å |
| 142 | A | 96.5 | Very high | 90.4 | Very high | 40 Ų | 40 | 84.7 Ų | 84.7 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y128 T156 L157 | Y128-A142 HydrophobicContact CD2-CB 4.16Å; A142-T156 CarbonylContact O-C 3.52Å; A142-T156 WeakPolarHBondContact O-CA 3.28Å; A142-L157 PolarHBondContact N-O 2.79Å; A142-L157 PolarHBondContact O-N 3.07Å |
| 143 | C | 96.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.007 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 128.7 | -177.2 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | V126 R127 L155 T156 | V126-C143 CarbonylContact C-O 3.59Å; V126-C143 WeakPolarHBondContact CA-O 3.16Å; R127-C143 HydrophobicContact CB-CB 4.2Å; R127-C143 PolarHBondContact N-O 2.83Å; R127-C143 PolarHBondContact O-N 3.18Å; C143-L155 CarbonylContact C-O 3.46Å; C143-L155 WeakPolarHBondContact CA-O 3.35Å; C143-T156 HydrophobicContact CB-CG2 4.2Å; C143-T156 PolarHBondContact SG-OG1 2.9Å |
| 144 | V | 97.7 | Very high | 91.1 | Very high | 68 Ų | 68 | 80.2 Ų | 80.2 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | V124 Y125 V126 S154 L155 | V124-V144 HydrophobicContact CG1-CG1 3.86Å; Y125-V144 WeakPolarHBondContact O-CA 3.03Å; V126-V144 HydrophobicContact CG2-CG2 4.45Å; V144-S154 WeakPolarHBondContact O-CA 3.39Å; V144-L155 PolarHBondContact N-O 3.17Å; V144-L155 PolarHBondContact O-N 3.38Å |
| 145 | E | 95.5 | Very high | 91.8 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.3 | -179.6 | -58.6 | -177.3 | -159.8 | 0 | 0 | 110.3 | V124 Y125 R127 R147 T153 | V124-E145 CarbonylContact C-O 3.48Å; V124-E145 WeakPolarHBondContact CA-O 3.46Å; Y125-E145 PolarHBondContact N-O 3.05Å; Y125-E145 PolarHBondContact O-N 2.8Å; R127-E145 IonicContact CZ-OE1 2.87Å; R127-E145 IonicContact NH2-OE1 3.69Å; E145-R147 HydrophobicContact CB-CG 4.46Å; E145-R147 IonicContact OE1-NH2 2.67Å; E145-R147 IonicContact OE2-CZ 3.85Å; E145-R147 IonicContact OE2-NE 3.07Å; E145-R147 PolarHBondContact OE2-NE 3.34Å; E145-R147 IonicContact OE2-NH2 3.45Å; E145-R147 PolarHBondContact OE2-NH2 2.76Å; E145-T153 CarbonylContact C-O 3.59Å; E145-T153 WeakPolarHBondContact CA-O 3.36Å |
| 146 | Y | 95.2 | Very high | 92.7 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 35% | 0.349 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.9 | 168.1 | -175.6 | -109.2 | 0 | 0 | 0 | 109.5 | S123 V124 K148 Q152 T153 | S123-Y146 CarbonylContact O-C 3.59Å; S123-Y146 VanDerWaalsContact O-CA 3.32Å; S123-Y146 WeakPolarHBondContact O-CA 3.37Å; S123-Y146 WeakPolarHBondContact O-CD2 3.41Å; V124-Y146 HydrophobicContact CG2-CD2 4.03Å; Y146-K148 HydrophobicContact CE1-CD 3.88Å; Y146-K148 HydrophobicContact CE1-CG 4.03Å; Y146-K148 WeakPolarHBondContact OH-CD 3.34Å; Y146-K148 WeakPolarHBondContact OH-CE 3.22Å; Y146-K148 PolarHBondContact OH-NZ 3.38Å; Y146-Q152 CarbonylContact O-C 3.55Å; Y146-Q152 VanDerWaalsContact O-CA 3.32Å; Y146-Q152 WeakPolarHBondContact O-CA 3.45Å; Y146-T153 PolarHBondContact N-O 2.92Å; Y146-T153 PolarHBondContact O-N 2.83Å |
| 147 | R | 92.5 | Very high | 93.3 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 30% | 0.302 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 122.9 | -177.7 | -57.4 | -174.8 | -171.9 | 168.5 | -2.7 | 111.2 | S123 Y125 E145 Q152 | S123-R147 WeakPolarHBondContact CB-O 3.15Å; S123-R147 PolarHBondContact O-N 2.83Å; Y125-R147 HydrophobicContact CD2-CB 4.14Å; Y125-R147 HydrophobicContact CD2-CG 3.82Å; Y125-R147 HydrophobicContact CE2-CB 3.91Å; Y125-R147 HydrophobicContact CE2-CG 4.02Å; E145-R147 HydrophobicContact CB-CG 4.46Å; E145-R147 IonicContact OE1-NH2 2.67Å; E145-R147 IonicContact OE2-CZ 3.85Å; E145-R147 IonicContact OE2-NE 3.07Å; E145-R147 PolarHBondContact OE2-NE 3.34Å; E145-R147 IonicContact OE2-NH2 3.45Å; E145-R147 PolarHBondContact OE2-NH2 2.76Å; R147-Q152 HydrophobicContact CG-CG 4.18Å |
| 148 | K | 90.9 | Very high | 93.8 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159.4 | 167.8 | -85.3 | -172 | 165.6 | 167.9 | 0 | 109.7 | Y146 K150 V151 | Y146-K148 HydrophobicContact CE1-CD 3.88Å; Y146-K148 HydrophobicContact CE1-CG 4.03Å; Y146-K148 WeakPolarHBondContact OH-CD 3.34Å; Y146-K148 WeakPolarHBondContact OH-CE 3.22Å; Y146-K148 PolarHBondContact OH-NZ 3.38Å; K148-K150 PolarHBondContact O-N 2.82Å; K148-V151 CarbonylContact C-O 3.55Å; K148-V151 WeakPolarHBondContact CA-O 3.34Å; K148-V151 HydrophobicContact CB-CG1 3.85Å; K148-V151 PolarHBondContact N-O 2.81Å; K148-V151 CarbonylContact O-C 3.51Å; K148-V151 PolarHBondContact O-N 3.36Å; K148-V151 VanDerWaalsContact O-N 3.14Å |
| 149 | P | 88.8 | Confident | 94.1 | Very high | 111 Ų | 111 | 55.5 Ų | 55.5 | 72% | 0.721 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.9 | -174.6 | -29.2 | 35.6 | 0 | 0 | 0 | 115.6 | ||
| 150 | K | 92.1 | Very high | 93.9 | Very high | 153 Ų | 153 | 57.9 Ų | 57.9 | 67% | 0.665 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -8.7 | -179.1 | -64.6 | -173.8 | 179.6 | -179.2 | 0 | 114.4 | K148 R175 Q176 | K148-K150 PolarHBondContact O-N 2.82Å; K150-R175 WeakPolarHBondContact O-CA 3.28Å; K150-R175 WeakPolarHBondContact O-CG 3.34Å; K150-Q176 HydrophobicContact CB-CB 4.42Å; K150-Q176 PolarHBondContact O-N 2.71Å |
| 151 | V | 94 | Very high | 93.5 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 133.2 | -173.8 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | K148 M174 | K148-V151 CarbonylContact C-O 3.55Å; K148-V151 WeakPolarHBondContact CA-O 3.34Å; K148-V151 HydrophobicContact CB-CG1 3.85Å; K148-V151 PolarHBondContact N-O 2.81Å; K148-V151 CarbonylContact O-C 3.51Å; K148-V151 PolarHBondContact O-N 3.36Å; K148-V151 VanDerWaalsContact O-N 3.14Å; V151-M174 WeakPolarHBondContact CA-O 3.25Å |
| 152 | Q | 95.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.4 | 173.3 | -178.3 | 164.7 | -5.8 | 0 | 0 | 108.5 | P32 G33 T34 Y146 R147 M174 | P32-Q152 HydrophobicContact CG-CB 4.06Å; G33-Q152 VanDerWaalsContact CA-OE1 3.24Å; G33-Q152 WeakPolarHBondContact O-CB 3.46Å; G33-Q152 PolarHBondContact O-OE1 2.86Å; T34-Q152 HydrophobicContact CG2-CG 4.17Å; Y146-Q152 CarbonylContact O-C 3.55Å; Y146-Q152 VanDerWaalsContact O-CA 3.32Å; Y146-Q152 WeakPolarHBondContact O-CA 3.45Å; R147-Q152 HydrophobicContact CG-CG 4.18Å; Q152-M174 PolarHBondContact N-O 2.81Å; Q152-M174 PolarHBondContact O-N 2.81Å |
| 153 | T | 96.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 63 Ų | 63 | 28% | 0.282 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.3 | 178.2 | -62 | 0 | 0 | 0 | 0 | 108.2 | E145 Y146 D172 V173 | E145-T153 CarbonylContact C-O 3.59Å; E145-T153 WeakPolarHBondContact CA-O 3.36Å; Y146-T153 PolarHBondContact N-O 2.92Å; Y146-T153 PolarHBondContact O-N 2.83Å; T153-D172 CarbonylContact C-O 3.58Å; T153-D172 WeakPolarHBondContact CA-O 3.33Å; T153-V173 HydrophobicContact CG2-CG2 3.89Å |
| 154 | S | 96.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 71 Ų | 71 | 5% | 0.049 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.5 | 174 | 76 | 0 | 0 | 0 | 0 | 111.3 | V144 L171 D172 | V144-S154 WeakPolarHBondContact O-CA 3.39Å; S154-L171 WeakPolarHBondContact O-CA 3.21Å; S154-D172 PolarHBondContact N-O 3.08Å; S154-D172 PolarHBondContact O-N 3.43Å; S154-D172 WeakPolarHBondContact OG-CB 3.26Å |
| 155 | L | 97.4 | Very high | 90 | Very high | 85 Ų | 85 | 69.7 Ų | 69.7 | 45% | 0.445 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.3 | 169.2 | 167.7 | 63.8 | 0 | 0 | 0 | 107.1 | C143 V144 V169 A170 L171 | C143-L155 CarbonylContact C-O 3.46Å; C143-L155 WeakPolarHBondContact CA-O 3.35Å; V144-L155 PolarHBondContact N-O 3.17Å; V144-L155 PolarHBondContact O-N 3.38Å; L155-V169 HydrophobicContact CD1-CG1 3.49Å; L155-V169 VanDerWaalsContact CD1-CG1 3.49Å; L155-A170 WeakPolarHBondContact CA-O 3.15Å; L155-L171 HydrophobicContact CB-CD2 4.04Å; L155-L171 HydrophobicContact CD1-CD2 3.44Å; L155-L171 VanDerWaalsContact CD1-CD2 3.44Å; L155-L171 HydrophobicContact CD1-CG 4.12Å; L155-L171 HydrophobicContact CG-CD2 4.25Å |
| 156 | T | 96.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 5% | 0.049 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.4 | -180 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | Q141 A142 C143 I158 V169 A170 | Q141-T156 HydrophobicContact CG-CG2 3.67Å; Q141-T156 VanDerWaalsContact NE2-CG2 3.32Å; A142-T156 CarbonylContact O-C 3.52Å; A142-T156 WeakPolarHBondContact O-CA 3.28Å; C143-T156 HydrophobicContact CB-CG2 4.2Å; C143-T156 PolarHBondContact SG-OG1 2.9Å; T156-I158 HydrophobicContact CG2-CD1 4.28Å; T156-I158 HydrophobicContact CG2-CG1 3.8Å; T156-V169 CarbonylContact O-C 3.56Å; T156-V169 VanDerWaalsContact O-CA 3.3Å; T156-V169 WeakPolarHBondContact O-CA 3.44Å; T156-A170 PolarHBondContact N-O 2.73Å; T156-A170 PolarHBondContact O-N 3.05Å |
| 157 | L | 95.8 | Very high | 89.1 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.7 | 170.9 | -176.1 | 65.4 | 0 | 0 | 0 | 108.2 | Q141 A142 P160 V169 | Q141-L157 CarbonylContact C-O 3.43Å; Q141-L157 VanDerWaalsContact CA-O 3.28Å; Q141-L157 WeakPolarHBondContact CA-O 3.3Å; A142-L157 PolarHBondContact N-O 2.79Å; A142-L157 PolarHBondContact O-N 3.07Å; L157-P160 HydrophobicContact CD1-CB 4.08Å; L157-P160 HydrophobicContact CD2-CB 3.86Å; L157-P160 HydrophobicContact CD2-CG 3.7Å; L157-P160 HydrophobicContact CG-CB 3.94Å; L157-P160 HydrophobicContact CG-CG 3.85Å; L157-V169 HydrophobicContact CD1-CG2 3.79Å |
| 158 | I | 93.2 | Very high | 89.1 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 18% | 0.179 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.1 | -176.8 | -53.4 | 171 | 0 | 0 | 0 | 108.2 | Q141 T156 M168 F188 | Q141-I158 HydrophobicContact CG-CG1 4.1Å; T156-I158 HydrophobicContact CG2-CD1 4.28Å; T156-I158 HydrophobicContact CG2-CG1 3.8Å; I158-M168 HydrophobicContact CB-CB 3.94Å; I158-M168 PolarHBondContact N-O 3.06Å; I158-M168 WeakPolarHBondContact O-CB 3.49Å; I158-M168 PolarHBondContact O-N 2.8Å; I158-F188 HydrophobicContact CD1-CE2 4.37Å |
| 159 | N | 89.5 | Confident | 89.3 | Confident | 75 Ų | 75 | 64 Ų | 64 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.5 | 55.8 | 176.3 | -61.6 | -22.7 | 0 | 0 | 0 | 114.3 | G139 Q140 D161 | G139-N159 WeakPolarHBondContact CA-OD1 3.48Å; Q140-N159 PolarHBondContact N-OD1 3.19Å; Q140-N159 WeakPolarHBondContact O-CA 3.07Å; Q140-N159 PolarHBondContact O-N 2.92Å; Q140-N159 PolarHBondContact O-OD1 3.21Å; N159-D161 PolarHBondContact O-N 3Å |
| 160 | P | 83.8 | Confident | 89.7 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 38% | 0.377 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 120.2 | 178 | 30 | -34.6 | 0 | 0 | 0 | 110.5 | L157 | L157-P160 HydrophobicContact CD1-CB 4.08Å; L157-P160 HydrophobicContact CD2-CB 3.86Å; L157-P160 HydrophobicContact CD2-CG 3.7Å; L157-P160 HydrophobicContact CG-CB 3.94Å; L157-P160 HydrophobicContact CG-CG 3.85Å |
| 161 | D | 83.7 | Confident | 89.9 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 93.2 | 172 | -171 | -20.9 | 0 | 0 | 0 | 109.5 | N159 G163 R164 G165 Q166 | N159-D161 PolarHBondContact O-N 3Å; D161-G163 PolarHBondContact O-N 3.31Å; D161-G163 WeakPolarHBondContact OD1-CA 3.11Å; D161-G163 PolarHBondContact OD1-N 3.27Å; D161-R164 HydrophobicContact CB-CB 4.32Å; D161-R164 PolarHBondContact O-N 3.27Å; D161-R164 PolarHBondContact OD1-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CD 3.36Å; D161-R164 VanDerWaalsContact OD2-CG 3.28Å; D161-R164 WeakPolarHBondContact OD2-CG 3.4Å; D161-R164 IonicContact OD2-NE 3.58Å; D161-G165 PolarHBondContact O-N 2.91Å; D161-Q166 CarbonylContact C-O 3.53Å; D161-Q166 HydrophobicContact CB-CB 4.24Å; D161-Q166 PolarHBondContact N-O 3.02Å; D161-Q166 PolarHBondContact O-N 2.8Å |
| 162 | V | 75.3 | Confident | 90.1 | Very high | 144 Ų | 144 | 54.7 Ų | 54.7 | 87% | 0.873 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -32.3 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 163 | G | 78 | Confident | 90.2 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 78% | 0.784 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D161 | D161-G163 PolarHBondContact O-N 3.31Å; D161-G163 WeakPolarHBondContact OD1-CA 3.11Å; D161-G163 PolarHBondContact OD1-N 3.27Å |
| 164 | R | 78.9 | Confident | 90.2 | Very high | 168 Ų | 168 | 54.6 Ų | 54.6 | 63% | 0.634 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2.1 | 178 | -63.8 | -175.1 | -179.7 | -170.8 | -2.9 | 114 | D161 Q166 P193 | D161-R164 HydrophobicContact CB-CB 4.32Å; D161-R164 PolarHBondContact O-N 3.27Å; D161-R164 PolarHBondContact OD1-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CD 3.36Å; D161-R164 VanDerWaalsContact OD2-CG 3.28Å; D161-R164 WeakPolarHBondContact OD2-CG 3.4Å; D161-R164 IonicContact OD2-NE 3.58Å; R164-Q166 VanDerWaalsContact C-N 3.26Å; R164-Q166 HydrophobicContact CB-CG 3.93Å; R164-Q166 PolarHBondContact O-N 2.98Å; R164-P193 WeakPolarHBondContact O-CG 3.3Å |
| 165 | G | 79.8 | Confident | 90.2 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 31.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D161 | D161-G165 PolarHBondContact O-N 2.91Š|
| 166 | Q | 85.8 | Confident | 90.1 | Very high | 43 Ų | 43 | 59 Ų | 59 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.3 | 178.1 | -57 | -177.7 | -38.6 | 0 | 0 | 109.9 | D161 R164 C191 S192 Q194 | D161-Q166 CarbonylContact C-O 3.53Å; D161-Q166 HydrophobicContact CB-CB 4.24Å; D161-Q166 PolarHBondContact N-O 3.02Å; D161-Q166 PolarHBondContact O-N 2.8Å; R164-Q166 VanDerWaalsContact C-N 3.26Å; R164-Q166 HydrophobicContact CB-CG 3.93Å; R164-Q166 PolarHBondContact O-N 2.98Å; Q166-C191 WeakPolarHBondContact CA-O 3.43Å; Q166-S192 WeakPolarHBondContact CG-OG 3.48Å; Q166-S192 PolarHBondContact NE2-OG 2.97Å; Q166-Q194 VanDerWaalsContact NE2-CD 3.26Å |
| 167 | C | 86.8 | Confident | 90 | Very high | 43 Ų | 43 | 62.9 Ų | 62.9 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 129.4 | 178.8 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | V169 Q190 C191 | C167-V169 VanDerWaalsContact SG-CG2 3.58Å; C167-Q190 WeakPolarHBondContact O-CA 3.22Å; C167-C191 PolarHBondContact N-O 2.91Å; C167-C191 PolarHBondContact O-N 3.32Å |
| 168 | M | 92.6 | Very high | 89.8 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 22% | 0.222 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127 | 172.5 | -64.9 | 164.8 | 73.1 | 0 | 0 | 108.7 | I158 F188 Y189 Q190 | I158-M168 HydrophobicContact CB-CB 3.94Å; I158-M168 PolarHBondContact N-O 3.06Å; I158-M168 WeakPolarHBondContact O-CB 3.49Å; I158-M168 PolarHBondContact O-N 2.8Å; M168-F188 HydrophobicContact CE-CE2 4.35Å; M168-F188 HydrophobicContact CE-CZ 3.59Å; M168-Y189 CarbonylContact C-O 3.58Å; M168-Y189 WeakPolarHBondContact CA-O 3.22Å; M168-Q190 HydrophobicContact CG-CB 4.04Å; M168-Q190 HydrophobicContact CG-CG 3.69Å; M168-Q190 HydrophobicContact SD-CG 4.5Å |
| 169 | V | 95.3 | Very high | 89.6 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.3 | -176.6 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | L155 T156 L157 C167 F188 Y189 | L155-V169 HydrophobicContact CD1-CG1 3.49Å; L155-V169 VanDerWaalsContact CD1-CG1 3.49Å; T156-V169 CarbonylContact O-C 3.56Å; T156-V169 VanDerWaalsContact O-CA 3.3Å; T156-V169 WeakPolarHBondContact O-CA 3.44Å; L157-V169 HydrophobicContact CD1-CG2 3.79Å; C167-V169 VanDerWaalsContact SG-CG2 3.58Å; V169-F188 WeakPolarHBondContact O-CA 3.32Å; V169-Y189 PolarHBondContact N-O 3.15Å; V169-Y189 PolarHBondContact O-N 2.88Å |
| 170 | A | 96 | Very high | 89.8 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 21% | 0.207 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L155 T156 F187 F188 | L155-A170 WeakPolarHBondContact CA-O 3.15Å; T156-A170 PolarHBondContact N-O 2.73Å; T156-A170 PolarHBondContact O-N 3.05Å; A170-F187 CarbonylContact C-O 3.54Å; A170-F187 WeakPolarHBondContact CA-O 3.45Å; A170-F188 HydrophobicContact CB-CD2 4.03Å |
| 171 | L | 97.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 70 Ų | 70 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.4 | 171.3 | -73.8 | 169.2 | 0 | 0 | 0 | 108.1 | S154 L155 A186 F187 | S154-L171 WeakPolarHBondContact O-CA 3.21Å; L155-L171 HydrophobicContact CB-CD2 4.04Å; L155-L171 HydrophobicContact CD1-CD2 3.44Å; L155-L171 VanDerWaalsContact CD1-CD2 3.44Å; L155-L171 HydrophobicContact CD1-CG 4.12Å; L155-L171 HydrophobicContact CG-CD2 4.25Å; L171-A186 CarbonylContact O-C 3.56Å; L171-A186 WeakPolarHBondContact O-CA 3.37Å; L171-F187 HydrophobicContact CB-CB 4.45Å; L171-F187 HydrophobicContact CD1-CD1 4.48Å; L171-F187 PolarHBondContact N-O 3.09Å; L171-F187 PolarHBondContact O-N 2.96Å |
| 172 | D | 97.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 67.4 Ų | 67.4 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.9 | 177.1 | -170.1 | -63.5 | 0 | 0 | 0 | 109 | T34 V35 E36 T153 S154 A186 | T34-D172 WeakPolarHBondContact CA-OD1 3.25Å; T34-D172 WeakPolarHBondContact CB-OD1 3.33Å; V35-D172 WeakPolarHBondContact CA-OD2 3.48Å; V35-D172 VanDerWaalsContact CB-OD2 3.25Å; V35-D172 WeakPolarHBondContact CB-OD2 3.48Å; V35-D172 PolarHBondContact N-OD1 2.87Å; V35-D172 VanDerWaalsContact N-OD1 3.1Å; V35-D172 PolarHBondContact N-OD2 2.93Å; E36-D172 PolarHBondContact N-OD2 2.83Å; T153-D172 CarbonylContact C-O 3.58Å; T153-D172 WeakPolarHBondContact CA-O 3.33Å; S154-D172 PolarHBondContact N-O 3.08Å; S154-D172 PolarHBondContact O-N 3.43Å; S154-D172 WeakPolarHBondContact OG-CB 3.26Å; D172-A186 HydrophobicContact CB-CB 4.44Å |
| 173 | V | 97.5 | Very high | 92 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 38% | 0.382 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.3 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | T153 G184 S185 | T153-V173 HydrophobicContact CG2-CG2 3.89Å; V173-G184 CarbonylContact O-C 3.58Å; V173-G184 WeakPolarHBondContact O-CA 3.47Å; V173-S185 PolarHBondContact N-O 2.58Å; V173-S185 PolarHBondContact O-N 3.01Å |
| 174 | M | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.3 | 177.1 | -164.9 | 78.3 | -178.8 | 0 | 0 | 110 | P32 G33 V35 I38 V151 Q152 A182 L183 G184 K208 | P32-M174 HydrophobicContact CB-CB 4.32Å; P32-M174 HydrophobicContact CB-CG 3.73Å; P32-M174 HydrophobicContact CG-CB 4.49Å; P32-M174 HydrophobicContact CG-CG 4.42Å; G33-M174 WeakPolarHBondContact O-CB 3.21Å; G33-M174 WeakPolarHBondContact O-CG 3.38Å; V35-M174 HydrophobicContact CG2-SD 3.88Å; I38-M174 HydrophobicContact CG2-CE 3.75Å; I38-M174 HydrophobicContact CG2-SD 4.27Å; V151-M174 WeakPolarHBondContact CA-O 3.25Å; Q152-M174 PolarHBondContact N-O 2.81Å; Q152-M174 PolarHBondContact O-N 2.81Å; M174-A182 HydrophobicContact CE-CB 3.48Å; M174-A182 VanDerWaalsContact CE-CB 3.48Å; M174-A182 WeakPolarHBondContact CE-O 3.25Å; M174-L183 VanDerWaalsContact SD-C 3.52Å; M174-G184 WeakPolarHBondContact SD-CA 3.33Å; M174-G184 PolarHBondContact SD-N 3.07Å; M174-G184 VanDerWaalsContact SD-N 3.4Å; M174-K208 HydrophobicContact CE-CB 4.05Å |
| 175 | R | 96.1 | Very high | 93.8 | Very high | 159 Ų | 159 | 55.5 Ų | 55.5 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.6 | -179 | -173.1 | 175 | 177.2 | 169.2 | -1.7 | 111.4 | K150 I177 A182 L183 | K150-R175 WeakPolarHBondContact O-CA 3.28Å; K150-R175 WeakPolarHBondContact O-CG 3.34Å; R175-I177 HydrophobicContact CB-CD1 4.28Å; R175-I177 HydrophobicContact CG-CD1 4.1Å; R175-I177 PolarHBondContact O-N 2.86Å; R175-A182 CarbonylContact O-C 3.52Å; R175-A182 VanDerWaalsContact O-CA 3.3Å; R175-A182 WeakPolarHBondContact O-CA 3.28Å; R175-L183 PolarHBondContact N-O 3.37Å; R175-L183 PolarHBondContact O-N 2.87Å |
| 176 | Q | 94.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 110.1 | 169.7 | -165.1 | 69.8 | 40.4 | 0 | 0 | 108.9 | P32 K150 T178 L181 | P32-Q176 HydrophobicContact CB-CB 4.29Å; K150-Q176 HydrophobicContact CB-CB 4.42Å; K150-Q176 PolarHBondContact O-N 2.71Å; Q176-T178 WeakPolarHBondContact CG-O 3.45Å; Q176-T178 PolarHBondContact NE2-O 2.83Å; Q176-L181 PolarHBondContact NE2-O 2.76Å |
| 177 | I | 94.7 | Very high | 95.2 | Very high | 91 Ų | 91 | 54.9 Ų | 54.9 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | trans | -86.5 | -47.6 | -177 | -55.4 | -57.9 | 0 | 0 | 0 | 110.5 | R175 L181 L183 | R175-I177 HydrophobicContact CB-CD1 4.28Å; R175-I177 HydrophobicContact CG-CD1 4.1Å; R175-I177 PolarHBondContact O-N 2.86Å; I177-L181 PolarHBondContact N-O 2.84Å; I177-L183 HydrophobicContact CG1-CB 4.06Å; I177-L183 HydrophobicContact CG1-CD1 4Å; I177-L183 HydrophobicContact CG1-CG 3.9Å | ||
| 178 | T | 93.3 | Very high | 95.5 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -124.1 | 177.7 | 174 | 74.3 | 0 | 0 | 0 | 0 | 109.2 | Q176 R180 L181 | Q176-T178 WeakPolarHBondContact CG-O 3.45Å; Q176-T178 PolarHBondContact NE2-O 2.83Å; T178-R180 PolarHBondContact O-N 3.34Å; T178-R180 PolarHBondContact OG1-N 2.82Å; T178-L181 HydrophobicContact CG2-CB 4.45Å; T178-L181 PolarHBondContact N-O 2.78Å; T178-L181 VanDerWaalsContact N-O 3.08Å; T178-L181 WeakPolarHBondContact OG1-CB 3.38Å; T178-L181 PolarHBondContact OG1-N 3.03Å |
| 179 | K | 88.9 | Confident | 95.6 | Very high | 165 Ų | 165 | 56.9 Ų | 56.9 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58.9 | -21.3 | 175.8 | -65.5 | -175.5 | 179.5 | -177.5 | 0 | 113.8 | ||
| 180 | R | 92.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -117.3 | -27.9 | -173.5 | -64.9 | -172.8 | 179.9 | 175.9 | -1.9 | 113.8 | D25 T178 Y209 T210 | D25-R180 IonicContact OD1-CZ 3.92Å; D25-R180 IonicContact OD1-NE 4Å; D25-R180 IonicContact OD1-NH2 2.97Å; D25-R180 PolarHBondContact OD1-NH2 2.92Å; T178-R180 PolarHBondContact O-N 3.34Å; T178-R180 PolarHBondContact OG1-N 2.82Å; R180-Y209 HydrophobicContact CB-CE1 4.35Å; R180-Y209 HydrophobicContact CB-CE2 4.1Å; R180-Y209 CarbonylContact O-C 3.54Å; R180-Y209 WeakPolarHBondContact O-CA 3.28Å; R180-T210 WeakPolarHBondContact CB-O 3.37Å; R180-T210 VanDerWaalsContact CG-O 3.31Å; R180-T210 WeakPolarHBondContact CG-O 3.32Å; R180-T210 PolarHBondContact O-N 2.97Å |
| 181 | L | 95 | Very high | 95.1 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.9 | -177.2 | -178.3 | 67 | 0 | 0 | 0 | 111.1 | Q176 I177 T178 L183 K208 Y209 | Q176-L181 PolarHBondContact NE2-O 2.76Å; I177-L181 PolarHBondContact N-O 2.84Å; T178-L181 HydrophobicContact CG2-CB 4.45Å; T178-L181 PolarHBondContact N-O 2.78Å; T178-L181 VanDerWaalsContact N-O 3.08Å; T178-L181 WeakPolarHBondContact OG1-CB 3.38Å; T178-L181 PolarHBondContact OG1-N 3.03Å; L181-L183 HydrophobicContact CD1-CD2 4.04Å; L181-L183 HydrophobicContact CD2-CD2 4.5Å; L181-L183 HydrophobicContact CD2-CG 4.46Å; L181-L183 HydrophobicContact CG-CD2 4.3Å; L181-L183 HydrophobicContact CG-CG 4.33Å; L181-K208 WeakPolarHBondContact CA-O 3.19Å; L181-Y209 HydrophobicContact CB-CD2 4.27Å; L181-Y209 HydrophobicContact CD1-CD2 4.2Å |
| 182 | A | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P32 M174 R175 A207 K208 | P32-A182 HydrophobicContact CB-CB 4.05Å; M174-A182 HydrophobicContact CE-CB 3.48Å; M174-A182 VanDerWaalsContact CE-CB 3.48Å; M174-A182 WeakPolarHBondContact CE-O 3.25Å; R175-A182 CarbonylContact O-C 3.52Å; R175-A182 VanDerWaalsContact O-CA 3.3Å; R175-A182 WeakPolarHBondContact O-CA 3.28Å; A182-A207 WeakPolarHBondContact O-CA 3.44Å; A182-K208 HydrophobicContact CB-CB 4.48Å; A182-K208 PolarHBondContact N-O 3.42Å; A182-K208 PolarHBondContact O-N 2.81Å |
| 183 | L | 97.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 59 Ų | 59 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.7 | 175.8 | -61.7 | -179.8 | 0 | 0 | 0 | 108.9 | M174 R175 I177 L181 G206 A207 | M174-L183 VanDerWaalsContact SD-C 3.52Å; R175-L183 PolarHBondContact N-O 3.37Å; R175-L183 PolarHBondContact O-N 2.87Å; I177-L183 HydrophobicContact CG1-CB 4.06Å; I177-L183 HydrophobicContact CG1-CD1 4Å; I177-L183 HydrophobicContact CG1-CG 3.9Å; L181-L183 HydrophobicContact CD1-CD2 4.04Å; L181-L183 HydrophobicContact CD2-CD2 4.5Å; L181-L183 HydrophobicContact CD2-CG 4.46Å; L181-L183 HydrophobicContact CG-CD2 4.3Å; L181-L183 HydrophobicContact CG-CG 4.33Å; L183-G206 CarbonylContact C-O 3.53Å; L183-G206 WeakPolarHBondContact CA-O 3.38Å; L183-A207 HydrophobicContact CD2-CB 3.5Å; L183-A207 VanDerWaalsContact CD2-CB 3.5Å |
| 184 | G | 97.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 166.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V173 M174 G206 | V173-G184 CarbonylContact O-C 3.58Å; V173-G184 WeakPolarHBondContact O-CA 3.47Å; M174-G184 WeakPolarHBondContact SD-CA 3.33Å; M174-G184 PolarHBondContact SD-N 3.07Å; M174-G184 VanDerWaalsContact SD-N 3.4Å; G184-G206 PolarHBondContact N-O 2.83Å; G184-G206 PolarHBondContact O-N 3.42Å |
| 185 | S | 97.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 64 Ų | 64 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.4 | 172.5 | 54 | 0 | 0 | 0 | 0 | 109.1 | V173 S204 | V173-S185 PolarHBondContact N-O 2.58Å; V173-S185 PolarHBondContact O-N 3.01Å; S185-S204 CarbonylContact C-O 3.53Å; S185-S204 VanDerWaalsContact CA-O 3.29Å; S185-S204 WeakPolarHBondContact CA-O 3.49Å |
| 186 | A | 97 | Very high | 91.9 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | V35 L171 D172 S204 | V35-A186 HydrophobicContact CB-CB 4.13Å; V35-A186 HydrophobicContact CG1-CB 4.35Å; V35-A186 HydrophobicContact CG2-CB 4.41Å; L171-A186 CarbonylContact O-C 3.56Å; L171-A186 WeakPolarHBondContact O-CA 3.37Å; D172-A186 HydrophobicContact CB-CB 4.44Å; A186-S204 PolarHBondContact N-O 3.49Å; A186-S204 PolarHBondContact O-N 3.01Å |
| 187 | F | 96.7 | Very high | 91.4 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 23% | 0.232 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.5 | 174 | 178.6 | -119.5 | 0 | 0 | 0 | 108.8 | A170 L171 Y189 V202 F203 | A170-F187 CarbonylContact C-O 3.54Å; A170-F187 WeakPolarHBondContact CA-O 3.45Å; L171-F187 HydrophobicContact CB-CB 4.45Å; L171-F187 HydrophobicContact CD1-CD1 4.48Å; L171-F187 PolarHBondContact N-O 3.09Å; L171-F187 PolarHBondContact O-N 2.96Å; F187-Y189 HydrophobicContact CE1-CD2 4.39Å; F187-Y189 HydrophobicContact CE1-CG 4.27Å; F187-Y189 HydrophobicContact CZ-CD2 4.06Å; F187-Y189 HydrophobicContact CZ-CG 4.35Å; F187-V202 WeakPolarHBondContact CA-O 3.49Å; F187-F203 HydrophobicContact CB-CD1 4Å; F187-F203 HydrophobicContact CB-CE1 3.82Å; F187-F203 HydrophobicContact CB-CZ 4.5Å; F187-F203 AromaticContact CD2-CD1 3.58Å; F187-F203 HydrophobicContact CD2-CD1 3.58Å; F187-F203 AromaticContact CD2-CD2 3.67Å; F187-F203 HydrophobicContact CD2-CD2 3.67Å; F187-F203 AromaticContact CD2-CE1 3.36Å; F187-F203 HydrophobicContact CD2-CE1 3.36Å; F187-F203 AromaticContact CD2-CE2 3.44Å; F187-F203 HydrophobicContact CD2-CE2 3.44Å; F187-F203 VanDerWaalsContact CD2-CE2 3.44Å; F187-F203 AromaticContact CD2-CG 3.74Å; F187-F203 HydrophobicContact CD2-CG 3.74Å; F187-F203 AromaticContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CE2-CD1 4.44Å; F187-F203 AromaticContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CE1 4.04Å; F187-F203 AromaticContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CG 4.32Å; F187-F203 AromaticContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CE2-CZ 3.45Å; F187-F203 VanDerWaalsContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CG-CD1 4.11Å; F187-F203 AromaticContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE2 4.44Å; F187-F203 AromaticContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CZ-CE2 4.2Å; F187-F203 HydrophobicContact CZ-CZ 4.14Å |
| 188 | F | 94.9 | Very high | 90.9 | Very high | 60 Ų | 60 | 63.1 Ų | 63.1 | 26% | 0.263 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.3 | 173.8 | -178.4 | -94.8 | 0 | 0 | 0 | 108.7 | I158 M168 V169 A170 Q190 G201 V202 | I158-F188 HydrophobicContact CD1-CE2 4.37Å; M168-F188 HydrophobicContact CE-CE2 4.35Å; M168-F188 HydrophobicContact CE-CZ 3.59Å; V169-F188 WeakPolarHBondContact O-CA 3.32Å; A170-F188 HydrophobicContact CB-CD2 4.03Å; F188-Q190 HydrophobicContact CE1-CB 4.02Å; F188-G201 CarbonylContact O-C 3.57Å; F188-G201 WeakPolarHBondContact O-CA 3.39Å; F188-V202 HydrophobicContact CB-CB 4.33Å; F188-V202 PolarHBondContact N-O 3.05Å; F188-V202 PolarHBondContact O-N 2.79Å |
| 189 | Y | 93.8 | Very high | 90.6 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.3 | 179.8 | 179.3 | -105.6 | 0 | 0 | 0 | 109.8 | M168 V169 F187 C191 Q199 D200 | M168-Y189 CarbonylContact C-O 3.58Å; M168-Y189 WeakPolarHBondContact CA-O 3.22Å; V169-Y189 PolarHBondContact N-O 3.15Å; V169-Y189 PolarHBondContact O-N 2.88Å; F187-Y189 HydrophobicContact CE1-CD2 4.39Å; F187-Y189 HydrophobicContact CE1-CG 4.27Å; F187-Y189 HydrophobicContact CZ-CD2 4.06Å; F187-Y189 HydrophobicContact CZ-CG 4.35Å; Y189-C191 HydrophobicContact CE1-CB 3.9Å; Y189-Q199 HydrophobicContact CE2-CB 3.95Å; Y189-Q199 PolarHBondContact OH-OE1 3.04Å; Y189-D200 WeakPolarHBondContact CA-O 3.47Å; Y189-D200 WeakPolarHBondContact CD2-O 3.28Å |
| 190 | Q | 92.6 | Very high | 90.7 | Very high | 51 Ų | 51 | 60.6 Ų | 60.6 | 24% | 0.238 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.2 | 177.1 | 174.2 | 168.1 | -2.9 | 0 | 0 | 109.1 | C167 M168 F188 L195 Q199 D200 | C167-Q190 WeakPolarHBondContact O-CA 3.22Å; M168-Q190 HydrophobicContact CG-CB 4.04Å; M168-Q190 HydrophobicContact CG-CG 3.69Å; M168-Q190 HydrophobicContact SD-CG 4.5Å; F188-Q190 HydrophobicContact CE1-CB 4.02Å; Q190-L195 HydrophobicContact CG-CD1 4.22Å; Q190-L195 HydrophobicContact CG-CD2 4.1Å; Q190-Q199 CarbonylContact O-C 3.47Å; Q190-Q199 WeakPolarHBondContact O-CA 3.32Å; Q190-D200 PolarHBondContact N-O 3.34Å; Q190-D200 PolarHBondContact O-N 3.33Å |
| 191 | C | 89.1 | Confident | 90.6 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.3 | 167.8 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | Q166 C167 Y189 | Q166-C191 WeakPolarHBondContact CA-O 3.43Å; C167-C191 PolarHBondContact N-O 2.91Å; C167-C191 PolarHBondContact O-N 3.32Å; Y189-C191 HydrophobicContact CE1-CB 3.9Å |
| 192 | S | 86.9 | Confident | 90.5 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -158.5 | 138 | 173.1 | -167 | 0 | 0 | 0 | 0 | 110.9 | Q166 Q194 L195 G198 | Q166-S192 WeakPolarHBondContact CG-OG 3.48Å; Q166-S192 PolarHBondContact NE2-OG 2.97Å; S192-Q194 PolarHBondContact O-N 2.89Å; S192-Q194 PolarHBondContact OG-OE1 3.37Å; S192-L195 WeakPolarHBondContact O-CB 3.38Å; S192-L195 PolarHBondContact O-N 3.02Å; S192-G198 CarbonylContact C-O 3.56Å; S192-G198 PolarHBondContact N-O 3.23Å; S192-G198 CarbonylContact O-C 3.58Å; S192-G198 VanDerWaalsContact O-O 3.06Å | ||
| 193 | P | 83 | Confident | 90.5 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 58% | 0.584 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.6 | 175.4 | -25 | 34.4 | 0 | 0 | 0 | 115 | R164 | R164-P193 WeakPolarHBondContact O-CG 3.3Š|
| 194 | Q | 82.1 | Confident | 90.4 | Very high | 134 Ų | 134 | 57 Ų | 57 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.7 | 176.4 | -53.4 | 90.8 | 23.8 | 0 | 0 | 113.9 | Q166 S192 | Q166-Q194 VanDerWaalsContact NE2-CD 3.26Å; S192-Q194 PolarHBondContact O-N 2.89Å; S192-Q194 PolarHBondContact OG-OE1 3.37Å |
| 195 | L | 84.3 | Confident | 90.4 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -76.5 | 141.3 | 174.4 | -95.1 | 70.1 | 0 | 0 | 0 | 109.9 | Q190 S192 A197 G198 D200 | Q190-L195 HydrophobicContact CG-CD1 4.22Å; Q190-L195 HydrophobicContact CG-CD2 4.1Å; S192-L195 WeakPolarHBondContact O-CB 3.38Å; S192-L195 PolarHBondContact O-N 3.02Å; L195-A197 VanDerWaalsContact C-N 3.25Å; L195-A197 PolarHBondContact O-N 2.93Å; L195-A197 VanDerWaalsContact O-N 3.16Å; L195-G198 PolarHBondContact O-N 3.29Å; L195-D200 HydrophobicContact CD2-CB 3.43Å; L195-D200 VanDerWaalsContact CD2-CB 3.43Å |
| 196 | P | 81.7 | Confident | 90.4 | Very high | 145 Ų | 145 | 58.7 Ų | 58.7 | 94% | 0.942 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -36.6 | -177.5 | -27.5 | 34.4 | 0 | 0 | 0 | 114.6 | ||
| 197 | A | 82.7 | Confident | 90.4 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 69% | 0.686 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L195 Q199 | L195-A197 VanDerWaalsContact C-N 3.25Å; L195-A197 PolarHBondContact O-N 2.93Å; L195-A197 VanDerWaalsContact O-N 3.16Å; A197-Q199 PolarHBondContact O-N 2.97Å |
| 198 | G | 84.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 72 | -22.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S192 L195 | S192-G198 CarbonylContact C-O 3.56Å; S192-G198 PolarHBondContact N-O 3.23Å; S192-G198 CarbonylContact O-C 3.58Å; S192-G198 VanDerWaalsContact O-O 3.06Å; L195-G198 PolarHBondContact O-N 3.29Å |
| 199 | Q | 88.2 | Confident | 90.4 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 153.1 | 177.8 | 62.4 | -176 | -8.9 | 0 | 0 | 111.6 | Y189 Q190 A197 | Y189-Q199 HydrophobicContact CE2-CB 3.95Å; Y189-Q199 PolarHBondContact OH-OE1 3.04Å; Q190-Q199 CarbonylContact O-C 3.47Å; Q190-Q199 WeakPolarHBondContact O-CA 3.32Å; A197-Q199 PolarHBondContact O-N 2.97Å |
| 200 | D | 90 | Very high | 90.4 | Very high | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.5 | 170.6 | -174.6 | 28.5 | 0 | 0 | 0 | 109.8 | Y189 Q190 L195 | Y189-D200 WeakPolarHBondContact CA-O 3.47Å; Y189-D200 WeakPolarHBondContact CD2-O 3.28Å; Q190-D200 PolarHBondContact N-O 3.34Å; Q190-D200 PolarHBondContact O-N 3.33Å; L195-D200 HydrophobicContact CD2-CB 3.43Å; L195-D200 VanDerWaalsContact CD2-CB 3.43Å |
| 201 | G | 92.2 | Very high | 90.4 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 126.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F188 | F188-G201 CarbonylContact O-C 3.57Å; F188-G201 WeakPolarHBondContact O-CA 3.39Å |
| 202 | V | 92.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.4 | -174.4 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | F187 F188 R221 Q224 | F187-V202 WeakPolarHBondContact CA-O 3.49Å; F188-V202 HydrophobicContact CB-CB 4.33Å; F188-V202 PolarHBondContact N-O 3.05Å; F188-V202 PolarHBondContact O-N 2.79Å; V202-R221 HydrophobicContact CG1-CB 4.46Å; V202-R221 HydrophobicContact CG1-CG 4.5Å; V202-Q224 VanDerWaalsContact CG1-CD 3.49Å; V202-Q224 HydrophobicContact CG1-CG 4.24Å; V202-Q224 HydrophobicContact CG2-CG 4.48Å |
| 203 | F | 95.6 | Very high | 90.6 | Very high | 87 Ų | 87 | 60.8 Ų | 60.8 | 38% | 0.382 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.2 | 169.8 | -75.2 | -82.6 | 0 | 0 | 0 | 110.7 | F187 R221 W223 | F187-F203 HydrophobicContact CB-CD1 4Å; F187-F203 HydrophobicContact CB-CE1 3.82Å; F187-F203 HydrophobicContact CB-CZ 4.5Å; F187-F203 AromaticContact CD2-CD1 3.58Å; F187-F203 HydrophobicContact CD2-CD1 3.58Å; F187-F203 AromaticContact CD2-CD2 3.67Å; F187-F203 HydrophobicContact CD2-CD2 3.67Å; F187-F203 AromaticContact CD2-CE1 3.36Å; F187-F203 HydrophobicContact CD2-CE1 3.36Å; F187-F203 AromaticContact CD2-CE2 3.44Å; F187-F203 HydrophobicContact CD2-CE2 3.44Å; F187-F203 VanDerWaalsContact CD2-CE2 3.44Å; F187-F203 AromaticContact CD2-CG 3.74Å; F187-F203 HydrophobicContact CD2-CG 3.74Å; F187-F203 AromaticContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CE2-CD1 4.44Å; F187-F203 AromaticContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CE1 4.04Å; F187-F203 AromaticContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CG 4.32Å; F187-F203 AromaticContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CE2-CZ 3.45Å; F187-F203 VanDerWaalsContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CG-CD1 4.11Å; F187-F203 AromaticContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE2 4.44Å; F187-F203 AromaticContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CZ-CE2 4.2Å; F187-F203 HydrophobicContact CZ-CZ 4.14Å; F203-R221 WeakPolarHBondContact O-CA 3.49Å; F203-W223 HydrophobicContact CB-CE3 3.95Å; F203-W223 HydrophobicContact CB-CZ3 3.73Å; F203-W223 HydrophobicContact CD2-CE3 4.42Å; F203-W223 HydrophobicContact CD2-CH2 4.49Å; F203-W223 HydrophobicContact CD2-CZ3 4.15Å; F203-W223 HydrophobicContact CG-CZ3 4.22Å |
| 204 | S | 96.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.4 | 175.9 | -50.7 | 0 | 0 | 0 | 0 | 109.6 | S185 A186 I220 R221 | S185-S204 CarbonylContact C-O 3.53Å; S185-S204 VanDerWaalsContact CA-O 3.29Å; S185-S204 WeakPolarHBondContact CA-O 3.49Å; A186-S204 PolarHBondContact N-O 3.49Å; A186-S204 PolarHBondContact O-N 3.01Å; S204-I220 CarbonylContact C-O 3.47Å; S204-I220 WeakPolarHBondContact CA-O 3.39Å; S204-R221 WeakPolarHBondContact OG-CD 3.48Å; S204-R221 WeakPolarHBondContact OG-CG 3.23Å; S204-R221 PolarHBondContact OG-NE 3.04Å |
| 205 | F | 97.5 | Very high | 91.8 | Very high | 92 Ų | 92 | 55 Ų | 55 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.6 | 171.6 | -60.2 | -80.2 | 0 | 0 | 0 | 108.9 | T219 I220 P222 | F205-T219 CarbonylContact O-C 3.46Å; F205-T219 VanDerWaalsContact O-CA 3.26Å; F205-T219 WeakPolarHBondContact O-CA 3.35Å; F205-I220 HydrophobicContact CB-CD1 4.46Å; F205-I220 HydrophobicContact CB-CG1 3.91Å; F205-I220 HydrophobicContact CD2-CG1 4.43Å; F205-I220 PolarHBondContact N-O 2.97Å; F205-I220 PolarHBondContact O-N 3.35Å; F205-P222 HydrophobicContact CD2-CG 4.07Å; F205-P222 HydrophobicContact CE2-CG 4.06Å |
| 206 | G | 97.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L183 G184 A218 | L183-G206 CarbonylContact C-O 3.53Å; L183-G206 WeakPolarHBondContact CA-O 3.38Å; G184-G206 PolarHBondContact N-O 2.83Å; G184-G206 PolarHBondContact O-N 3.42Å; G206-A218 CarbonylContact C-O 3.59Å; G206-A218 WeakPolarHBondContact CA-O 3.49Å |
| 207 | A | 97.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A182 L183 A217 A218 | A182-A207 WeakPolarHBondContact O-CA 3.44Å; L183-A207 HydrophobicContact CD2-CB 3.5Å; L183-A207 VanDerWaalsContact CD2-CB 3.5Å; A207-A217 CarbonylContact O-C 3.53Å; A207-A217 WeakPolarHBondContact O-CA 3.41Å; A207-A218 PolarHBondContact N-O 2.72Å; A207-A218 PolarHBondContact O-N 2.76Å |
| 208 | K | 96.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.7 | 175.4 | -175.7 | 179.8 | 74.8 | -176.7 | 0 | 109 | P32 I38 M174 L181 A182 Q215 A217 | P32-K208 PolarHBondContact O-NZ 2.68Å; I38-K208 HydrophobicContact CB-CB 4.21Å; I38-K208 HydrophobicContact CB-CD 4.25Å; I38-K208 HydrophobicContact CG2-CB 4.11Å; I38-K208 HydrophobicContact CG2-CD 4.27Å; M174-K208 HydrophobicContact CE-CB 4.05Å; L181-K208 WeakPolarHBondContact CA-O 3.19Å; A182-K208 HydrophobicContact CB-CB 4.48Å; A182-K208 PolarHBondContact N-O 3.42Å; A182-K208 PolarHBondContact O-N 2.81Å; K208-Q215 HydrophobicContact CG-CG 4.17Å; K208-A217 HydrophobicContact CB-CB 4.42Å; K208-A217 HydrophobicContact CG-CB 4.42Å |
| 209 | Y | 95.7 | Very high | 94.5 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 35% | 0.349 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.2 | 172.1 | -167.3 | -82.3 | 0 | 0 | 0 | 109.3 | R180 L181 W214 Q215 G216 | R180-Y209 HydrophobicContact CB-CE1 4.35Å; R180-Y209 HydrophobicContact CB-CE2 4.1Å; R180-Y209 CarbonylContact O-C 3.54Å; R180-Y209 WeakPolarHBondContact O-CA 3.28Å; L181-Y209 HydrophobicContact CB-CD2 4.27Å; L181-Y209 HydrophobicContact CD1-CD2 4.2Å; Y209-W214 AromaticContact CD1-CH2 3.2Å; Y209-W214 HydrophobicContact CD1-CH2 3.2Å; Y209-W214 AromaticContact CD1-CZ2 3.77Å; Y209-W214 HydrophobicContact CD1-CZ2 3.77Å; Y209-W214 AromaticContact CD1-CZ3 3.7Å; Y209-W214 HydrophobicContact CD1-CZ3 3.7Å; Y209-W214 AromaticContact CE1-CH2 3.57Å; Y209-W214 HydrophobicContact CE1-CH2 3.57Å; Y209-W214 AromaticContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ3 4.44Å; Y209-W214 HydrophobicContact CG-CH2 4.11Å; Y209-W214 HydrophobicContact CG-CZ3 4.47Å; Y209-Q215 WeakPolarHBondContact O-CA 3.36Å; Y209-G216 PolarHBondContact N-O 2.83Å; Y209-G216 PolarHBondContact O-N 3.03Å |
| 210 | T | 93.6 | Very high | 94.9 | Very high | 23 Ų | 23 | 43 Ų | 43 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.9 | -179.1 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | R180 Q215 | R180-T210 WeakPolarHBondContact CB-O 3.37Å; R180-T210 VanDerWaalsContact CG-O 3.31Å; R180-T210 WeakPolarHBondContact CG-O 3.32Å; R180-T210 PolarHBondContact O-N 2.97Å; T210-Q215 PolarHBondContact OG1-OE1 3.17Å |
| 211 | S | 92.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 43.3 Ų | 43.3 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | trans | -108.2 | -175.7 | 170.8 | -163.6 | 0 | 0 | 0 | 0 | 109.9 | W214 | S211-W214 WeakPolarHBondContact CA-O 3.39Å; S211-W214 WeakPolarHBondContact CB-O 3.47Å; S211-W214 PolarHBondContact N-O 3.18Å; S211-W214 PolarHBondContact OG-NE1 2.88Å | ||
| 212 | S | 88.5 | Confident | 95 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -65 | -44.1 | 179.4 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 213 | H | 92.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 44% | 0.44 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -117.3 | -2.6 | -174.3 | -44.5 | 108.8 | 0 | 0 | 0 | 113.9 | Q234 | H213-Q234 PolarHBondContact O-N 2.76Š|
| 214 | W | 94.4 | Very high | 94.4 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.7 | -179.3 | 67.6 | -94.8 | 0 | 0 | 0 | 111.8 | Y209 S211 F231 H232 I233 | Y209-W214 AromaticContact CD1-CH2 3.2Å; Y209-W214 HydrophobicContact CD1-CH2 3.2Å; Y209-W214 AromaticContact CD1-CZ2 3.77Å; Y209-W214 HydrophobicContact CD1-CZ2 3.77Å; Y209-W214 AromaticContact CD1-CZ3 3.7Å; Y209-W214 HydrophobicContact CD1-CZ3 3.7Å; Y209-W214 AromaticContact CE1-CH2 3.57Å; Y209-W214 HydrophobicContact CE1-CH2 3.57Å; Y209-W214 AromaticContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ3 4.44Å; Y209-W214 HydrophobicContact CG-CH2 4.11Å; Y209-W214 HydrophobicContact CG-CZ3 4.47Å; S211-W214 WeakPolarHBondContact CA-O 3.39Å; S211-W214 WeakPolarHBondContact CB-O 3.47Å; S211-W214 PolarHBondContact N-O 3.18Å; S211-W214 PolarHBondContact OG-NE1 2.88Å; W214-F231 HydrophobicContact CB-CE2 4.44Å; W214-F231 HydrophobicContact CB-CZ 4.05Å; W214-F231 HydrophobicContact CD2-CE2 4.12Å; W214-F231 HydrophobicContact CD2-CZ 4.38Å; W214-F231 HydrophobicContact CE3-CD2 4.31Å; W214-F231 AromaticContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CE2 3.49Å; W214-F231 VanDerWaalsContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CZ 4.17Å; W214-F231 HydrophobicContact CG-CZ 4.37Å; W214-F231 HydrophobicContact CZ3-CE2 4.04Å; W214-H232 CarbonylContact C-O 3.48Å; W214-H232 WeakPolarHBondContact CA-O 3.33Å; W214-H232 WeakPolarHBondContact CB-O 3.36Å; W214-I233 HydrophobicContact CB-CB 4.15Å; W214-I233 HydrophobicContact CB-CD1 4.49Å; W214-I233 HydrophobicContact CB-CG1 4.11Å |
| 215 | Q | 95.8 | Very high | 94 | Very high | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.6 | 173.7 | -178.1 | 174.8 | -81.9 | 0 | 0 | 110 | K41 K208 Y209 T210 F231 H232 | K41-Q215 VanDerWaalsContact CB-NE2 3.29Å; K41-Q215 HydrophobicContact CD-CB 4.03Å; K41-Q215 HydrophobicContact CD-CG 4.46Å; K208-Q215 HydrophobicContact CG-CG 4.17Å; Y209-Q215 WeakPolarHBondContact O-CA 3.36Å; T210-Q215 PolarHBondContact OG1-OE1 3.17Å; Q215-F231 CarbonylContact O-C 3.54Å; Q215-F231 WeakPolarHBondContact O-CA 3.32Å; Q215-H232 HydrophobicContact CB-CB 4.43Å; Q215-H232 PolarHBondContact N-O 3.43Å; Q215-H232 PolarHBondContact O-N 2.82Å |
| 216 | G | 97 | Very high | 93.8 | Very high | 15 Ų | 15 | 51 Ų | 51 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y209 S230 | Y209-G216 PolarHBondContact N-O 2.83Å; Y209-G216 PolarHBondContact O-N 3.03Å; G216-S230 CarbonylContact C-O 3.57Å; G216-S230 WeakPolarHBondContact CA-O 3.32Å |
| 217 | A | 97.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I38 A207 K208 G229 S230 | I38-A217 HydrophobicContact CB-CB 3.99Å; I38-A217 HydrophobicContact CD1-CB 4.06Å; I38-A217 HydrophobicContact CG1-CB 3.81Å; A207-A217 CarbonylContact O-C 3.53Å; A207-A217 WeakPolarHBondContact O-CA 3.41Å; K208-A217 HydrophobicContact CB-CB 4.42Å; K208-A217 HydrophobicContact CG-CB 4.42Å; A217-G229 WeakPolarHBondContact O-CA 3.36Å; A217-S230 PolarHBondContact N-O 2.84Å; A217-S230 PolarHBondContact O-N 2.92Å |
| 218 | A | 97.5 | Very high | 93.6 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 135.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G206 A207 H228 | G206-A218 CarbonylContact C-O 3.59Å; G206-A218 WeakPolarHBondContact CA-O 3.49Å; A207-A218 PolarHBondContact N-O 2.72Å; A207-A218 PolarHBondContact O-N 2.76Å; A218-H228 CarbonylContact C-O 3.57Å; A218-H228 VanDerWaalsContact CA-O 3.29Å; A218-H228 WeakPolarHBondContact CA-O 3.39Å |
| 219 | T | 97.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130 | 172.5 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | V35 I38 H39 F205 L227 H228 | V35-T219 HydrophobicContact CG1-CG2 4.26Å; I38-T219 WeakPolarHBondContact CD1-OG1 3.23Å; H39-T219 WeakPolarHBondContact NE2-CB 3.45Å; H39-T219 PolarHBondContact NE2-OG1 3.23Å; F205-T219 CarbonylContact O-C 3.46Å; F205-T219 VanDerWaalsContact O-CA 3.26Å; F205-T219 WeakPolarHBondContact O-CA 3.35Å; T219-L227 WeakPolarHBondContact O-CA 3.34Å; T219-H228 PolarHBondContact N-O 3.32Å; T219-H228 PolarHBondContact O-N 3.03Å |
| 220 | I | 96.6 | Very high | 93.8 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 40% | 0.395 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.3 | 175.2 | 61.9 | 172.2 | 0 | 0 | 0 | 110.2 | S204 F205 L227 | S204-I220 CarbonylContact C-O 3.47Å; S204-I220 WeakPolarHBondContact CA-O 3.39Å; F205-I220 HydrophobicContact CB-CD1 4.46Å; F205-I220 HydrophobicContact CB-CG1 3.91Å; F205-I220 HydrophobicContact CD2-CG1 4.43Å; F205-I220 PolarHBondContact N-O 2.97Å; F205-I220 PolarHBondContact O-N 3.35Å; I220-L227 HydrophobicContact CG2-CD1 4.01Å; I220-L227 HydrophobicContact CG2-CG 4.25Å |
| 221 | R | 94.9 | Very high | 94 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 91.5 | 173.3 | -51.4 | -171.1 | -176.7 | 92 | -1.6 | 109.1 | V202 F203 S204 W223 Q224 N225 S226 | V202-R221 HydrophobicContact CG1-CB 4.46Å; V202-R221 HydrophobicContact CG1-CG 4.5Å; F203-R221 WeakPolarHBondContact O-CA 3.49Å; S204-R221 WeakPolarHBondContact OG-CD 3.48Å; S204-R221 WeakPolarHBondContact OG-CG 3.23Å; S204-R221 PolarHBondContact OG-NE 3.04Å; R221-W223 VanDerWaalsContact C-N 3.34Å; R221-W223 PolarHBondContact O-N 2.81Å; R221-Q224 HydrophobicContact CB-CB 4.21Å; R221-Q224 VanDerWaalsContact CD-OE1 3.25Å; R221-Q224 PolarHBondContact O-N 3.37Å; R221-N225 PolarHBondContact O-N 3.29Å; R221-S226 VanDerWaalsContact CB-OG 3.31Å; R221-S226 WeakPolarHBondContact CB-OG 3.38Å; R221-S226 WeakPolarHBondContact CD-OG 3.5Å; R221-S226 VanDerWaalsContact CG-OG 3.3Å; R221-S226 WeakPolarHBondContact CG-OG 3.34Å; R221-S226 PolarHBondContact N-O 2.85Å; R221-S226 PolarHBondContact NH1-OG 3.32Å; R221-S226 VanDerWaalsContact NH1-OG 3.09Å; R221-S226 PolarHBondContact O-N 2.89Å |
| 222 | P | 90.1 | Very high | 94.2 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -40.5 | -169.2 | -27.9 | 35.6 | 0 | 0 | 0 | 114.2 | F205 N225 | F205-P222 HydrophobicContact CD2-CG 4.07Å; F205-P222 HydrophobicContact CE2-CG 4.06Å; P222-N225 PolarHBondContact O-N 3.02Å; P222-N225 PolarHBondContact O-OD1 3.23Å; P222-N225 VanDerWaalsContact O-OD1 3.09Å |
| 223 | W | 87.8 | Confident | 94.6 | Very high | 179 Ų | 179 | 51.5 Ų | 51.5 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.6 | -178.5 | -76.3 | -94.5 | 0 | 0 | 0 | 113.9 | F203 R221 | F203-W223 HydrophobicContact CB-CE3 3.95Å; F203-W223 HydrophobicContact CB-CZ3 3.73Å; F203-W223 HydrophobicContact CD2-CE3 4.42Å; F203-W223 HydrophobicContact CD2-CH2 4.49Å; F203-W223 HydrophobicContact CD2-CZ3 4.15Å; F203-W223 HydrophobicContact CG-CZ3 4.22Å; R221-W223 VanDerWaalsContact C-N 3.34Å; R221-W223 PolarHBondContact O-N 2.81Å |
| 224 | Q | 85.9 | Confident | 94.8 | Very high | 49 Ų | 49 | 50 Ų | 50 | 23% | 0.229 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6.3 | 177.8 | -69.5 | -178.8 | -33.7 | 0 | 0 | 112.5 | V202 R221 S226 | V202-Q224 VanDerWaalsContact CG1-CD 3.49Å; V202-Q224 HydrophobicContact CG1-CG 4.24Å; V202-Q224 HydrophobicContact CG2-CG 4.48Å; R221-Q224 HydrophobicContact CB-CB 4.21Å; R221-Q224 VanDerWaalsContact CD-OE1 3.25Å; R221-Q224 PolarHBondContact O-N 3.37Å; Q224-S226 PolarHBondContact O-N 3.47Å |
| 225 | N | 89.6 | Confident | 94.7 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 44.6 | -171 | -72.3 | -27.7 | 0 | 0 | 0 | 112 | R221 P222 Y249 | R221-N225 PolarHBondContact O-N 3.29Å; P222-N225 PolarHBondContact O-N 3.02Å; P222-N225 PolarHBondContact O-OD1 3.23Å; P222-N225 VanDerWaalsContact O-OD1 3.09Å; N225-Y249 HydrophobicContact CB-CD1 4.33Å; N225-Y249 HydrophobicContact CB-CG 4.22Å; N225-Y249 VanDerWaalsContact O-CB 3.29Å; N225-Y249 WeakPolarHBondContact O-CB 3.35Å; N225-Y249 PolarHBondContact O-N 2.89Å |
| 226 | S | 92.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.6 | 174.1 | 81.5 | 0 | 0 | 0 | 0 | 110.7 | R221 Q224 S247 | R221-S226 VanDerWaalsContact CB-OG 3.31Å; R221-S226 WeakPolarHBondContact CB-OG 3.38Å; R221-S226 WeakPolarHBondContact CD-OG 3.5Å; R221-S226 VanDerWaalsContact CG-OG 3.3Å; R221-S226 WeakPolarHBondContact CG-OG 3.34Å; R221-S226 PolarHBondContact N-O 2.85Å; R221-S226 PolarHBondContact NH1-OG 3.32Å; R221-S226 VanDerWaalsContact NH1-OG 3.09Å; R221-S226 PolarHBondContact O-N 2.89Å; Q224-S226 PolarHBondContact O-N 3.47Å; S226-S247 CarbonylContact C-O 3.44Å; S226-S247 WeakPolarHBondContact CA-O 3.4Å |
| 227 | L | 94.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.366 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.4 | 174.8 | -177.6 | 147 | 0 | 0 | 0 | 109.1 | T219 I220 F245 S247 | T219-L227 WeakPolarHBondContact O-CA 3.34Å; I220-L227 HydrophobicContact CG2-CD1 4.01Å; I220-L227 HydrophobicContact CG2-CG 4.25Å; L227-F245 HydrophobicContact CD2-CD1 3.57Å; L227-F245 HydrophobicContact CD2-CE1 3.77Å; L227-S247 PolarHBondContact N-O 3.17Å; L227-S247 PolarHBondContact O-N 3.09Å |
| 228 | H | 96 | Very high | 93.9 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.106 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.7 | 170.3 | -176.4 | 134.2 | 0 | 0 | 0 | 107.3 | H39 A218 T219 F245 E246 | H39-H228 AromaticContact CD2-CD2 3.73Å; H39-H228 AromaticContact CD2-NE2 3.82Å; H39-H228 AromaticContact CE1-CD2 3.25Å; H39-H228 PolarHBondContact CE1-CD2 2.81Å; H39-H228 AromaticContact CE1-CG 3.98Å; H39-H228 AromaticContact CE1-NE2 3.87Å; H39-H228 AromaticContact CG-CD2 3.59Å; H39-H228 AromaticContact CG-NE2 3.38Å; H39-H228 AromaticContact ND1-CD2 3.29Å; H39-H228 PolarHBondContact ND1-CD2 2.81Å; H39-H228 VanDerWaalsContact ND1-CD2 3.29Å; H39-H228 AromaticContact ND1-NE2 3.43Å; H39-H228 PolarHBondContact ND1-NE2 2.84Å; H39-H228 AromaticContact NE2-CD2 3.56Å; H39-H228 AromaticContact NE2-CG 3.88Å; A218-H228 CarbonylContact C-O 3.57Å; A218-H228 VanDerWaalsContact CA-O 3.29Å; A218-H228 WeakPolarHBondContact CA-O 3.39Å; T219-H228 PolarHBondContact N-O 3.32Å; T219-H228 PolarHBondContact O-N 3.03Å; H228-F245 CarbonylContact C-O 3.49Å; H228-F245 WeakPolarHBondContact CA-O 3.43Å; H228-E246 IonicContact CE1-OE1 3.84Å; H228-E246 PolarHBondContact CE1-OE1 2.79Å; H228-E246 IonicContact ND1-OE1 3.19Å; H228-E246 PolarHBondContact ND1-OE1 2.84Å |
| 229 | G | 97.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | A217 E244 F245 | A217-G229 WeakPolarHBondContact O-CA 3.36Å; G229-E244 CarbonylContact O-C 3.58Å; G229-E244 WeakPolarHBondContact O-CA 3.49Å; G229-F245 PolarHBondContact N-O 3.16Å; G229-F245 PolarHBondContact O-N 3.44Å |
| 230 | S | 97.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.7 | 176.7 | 68.4 | 0 | 0 | 0 | 0 | 110.3 | H39 G216 A217 A243 | H39-S230 WeakPolarHBondContact ND1-CB 3.31Å; H39-S230 PolarHBondContact ND1-OG 2.84Å; G216-S230 CarbonylContact C-O 3.57Å; G216-S230 WeakPolarHBondContact CA-O 3.32Å; A217-S230 PolarHBondContact N-O 2.84Å; A217-S230 PolarHBondContact O-N 2.92Å; S230-A243 CarbonylContact C-O 3.52Å; S230-A243 WeakPolarHBondContact CA-O 3.5Å |
| 231 | F | 97.9 | Very high | 93.8 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.1 | 178.3 | -172.7 | -98.1 | 0 | 0 | 0 | 110 | W214 Q215 I233 A242 A243 | W214-F231 HydrophobicContact CB-CE2 4.44Å; W214-F231 HydrophobicContact CB-CZ 4.05Å; W214-F231 HydrophobicContact CD2-CE2 4.12Å; W214-F231 HydrophobicContact CD2-CZ 4.38Å; W214-F231 HydrophobicContact CE3-CD2 4.31Å; W214-F231 AromaticContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CE2 3.49Å; W214-F231 VanDerWaalsContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CZ 4.17Å; W214-F231 HydrophobicContact CG-CZ 4.37Å; W214-F231 HydrophobicContact CZ3-CE2 4.04Å; Q215-F231 CarbonylContact O-C 3.54Å; Q215-F231 WeakPolarHBondContact O-CA 3.32Å; F231-I233 HydrophobicContact CE1-CB 3.8Å; F231-I233 HydrophobicContact CE1-CG2 3.96Å; F231-I233 HydrophobicContact CZ-CB 4.4Å; F231-A242 CarbonylContact O-C 3.59Å; F231-A242 VanDerWaalsContact O-CA 3.23Å; F231-A242 WeakPolarHBondContact O-CA 3.35Å; F231-A243 PolarHBondContact N-O 2.76Å; F231-A243 PolarHBondContact O-N 2.82Å |
| 232 | H | 97.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.8 | 175.1 | 166.4 | -92.4 | 0 | 0 | 0 | 108.7 | K41 A42 W214 Q215 Q240 | K41-H232 WeakPolarHBondContact CE-ND1 3.39Å; K41-H232 HydrophobicContact CG-CB 4.37Å; A42-H232 HydrophobicContact CB-CB 4.37Å; W214-H232 CarbonylContact C-O 3.48Å; W214-H232 WeakPolarHBondContact CA-O 3.33Å; W214-H232 WeakPolarHBondContact CB-O 3.36Å; Q215-H232 HydrophobicContact CB-CB 4.43Å; Q215-H232 PolarHBondContact N-O 3.43Å; Q215-H232 PolarHBondContact O-N 2.82Å; H232-Q240 PolarHBondContact NE2-OE1 2.98Å |
| 233 | I | 97.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.5 | 171 | -174.6 | 165.7 | 0 | 0 | 0 | 110.3 | W214 F231 Q240 L241 | W214-I233 HydrophobicContact CB-CB 4.15Å; W214-I233 HydrophobicContact CB-CD1 4.49Å; W214-I233 HydrophobicContact CB-CG1 4.11Å; F231-I233 HydrophobicContact CE1-CB 3.8Å; F231-I233 HydrophobicContact CE1-CG2 3.96Å; F231-I233 HydrophobicContact CZ-CB 4.4Å; I233-Q240 CarbonylContact O-C 3.51Å; I233-Q240 WeakPolarHBondContact O-CA 3.37Å; I233-L241 HydrophobicContact CG2-CB 3.78Å; I233-L241 HydrophobicContact CG2-CD1 4.5Å; I233-L241 HydrophobicContact CG2-CG 4.39Å; I233-L241 PolarHBondContact N-O 3.2Å; I233-L241 PolarHBondContact O-N 3.09Å |
| 234 | Q | 94.7 | Very high | 94.8 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 112.2 | 171 | -177.4 | 169.1 | -6.6 | 0 | 0 | 107.9 | H213 D236 Q240 | H213-Q234 PolarHBondContact O-N 2.76Å; Q234-D236 VanDerWaalsContact CG-O 3.28Å; Q234-D236 WeakPolarHBondContact CG-O 3.46Å; Q234-Q240 HydrophobicContact CB-CG 4.28Å; Q234-Q240 HydrophobicContact CG-CG 4.11Å |
| 235 | I | 93.3 | Very high | 95.3 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -44.8 | -179.5 | -65.6 | -179.8 | 0 | 0 | 0 | 109.8 | L239 L241 | I235-L239 HydrophobicContact CB-CD2 4.34Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CG2-CD2 4.46Å; I235-L239 PolarHBondContact N-O 2.82Å; I235-L241 HydrophobicContact CD1-CD1 3.4Å; I235-L241 HydrophobicContact CD1-CD2 4.45Å; I235-L241 HydrophobicContact CD1-CG 3.68Å; I235-L241 HydrophobicContact CG1-CD1 4.42Å; I235-L241 HydrophobicContact CG1-CG 4.39Å |
| 236 | D | 90.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 169.7 | -179.1 | -171.5 | 21.2 | 0 | 0 | 0 | 108.7 | Q234 N238 L239 | Q234-D236 VanDerWaalsContact CG-O 3.28Å; Q234-D236 WeakPolarHBondContact CG-O 3.46Å; D236-N238 PolarHBondContact O-N 3.29Å; D236-L239 HydrophobicContact CB-CB 4.32Å; D236-L239 PolarHBondContact N-O 2.91Å; D236-L239 PolarHBondContact O-N 2.81Å |
| 237 | D | 88.8 | Confident | 95.6 | Very high | 128 Ų | 128 | 51.4 Ų | 51.4 | 68% | 0.684 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.3 | 175.8 | -70.5 | -22.9 | 0 | 0 | 0 | 112.3 | ||
| 238 | N | 93.7 | Very high | 95.5 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -17.1 | -176 | -63.8 | -39.9 | 0 | 0 | 0 | 113.7 | D236 Y262 D263 P265 | D236-N238 PolarHBondContact O-N 3.29Å; N238-Y262 HydrophobicContact CB-CE2 4.06Å; N238-Y262 CarbonylContact O-C 3.55Å; N238-Y262 WeakPolarHBondContact O-CA 3.33Å; N238-Y262 WeakPolarHBondContact O-CD2 3.43Å; N238-D263 WeakPolarHBondContact CB-O 3.3Å; N238-D263 PolarHBondContact O-N 3.3Å; N238-D263 PolarHBondContact OD1-O 3.38Å; N238-P265 WeakPolarHBondContact OD1-CD 3.48Å; N238-P265 WeakPolarHBondContact OD1-CG 3.44Å |
| 239 | L | 95.1 | Very high | 95 | Very high | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.5 | -170.8 | -178.5 | 64.9 | 0 | 0 | 0 | 112.1 | I235 D236 L241 Y260 Y262 | I235-L239 HydrophobicContact CB-CD2 4.34Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CG2-CD2 4.46Å; I235-L239 PolarHBondContact N-O 2.82Å; D236-L239 HydrophobicContact CB-CB 4.32Å; D236-L239 PolarHBondContact N-O 2.91Å; D236-L239 PolarHBondContact O-N 2.81Å; L239-L241 HydrophobicContact CD1-CD2 4.25Å; L239-L241 HydrophobicContact CG-CD2 4.45Å; L239-Y260 HydrophobicContact CD1-CD2 4.17Å; L239-Y262 HydrophobicContact CB-CD2 4.02Å; L239-Y262 HydrophobicContact CB-CE2 4.4Å; L239-Y262 HydrophobicContact CD1-CD2 3.9Å |
| 240 | Q | 96.6 | Very high | 94.3 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.8 | 175.3 | -56.8 | -174.5 | 15.4 | 0 | 0 | 110.1 | I45 H232 I233 Q234 Y260 K261 | I45-Q240 HydrophobicContact CD1-CB 3.96Å; H232-Q240 PolarHBondContact NE2-OE1 2.98Å; I233-Q240 CarbonylContact O-C 3.51Å; I233-Q240 WeakPolarHBondContact O-CA 3.37Å; Q234-Q240 HydrophobicContact CB-CG 4.28Å; Q234-Q240 HydrophobicContact CG-CG 4.11Å; Q240-Y260 CarbonylContact O-C 3.53Å; Q240-Y260 VanDerWaalsContact O-CA 3.22Å; Q240-Y260 WeakPolarHBondContact O-CA 3.35Å; Q240-Y260 WeakPolarHBondContact O-CB 3.5Å; Q240-K261 PolarHBondContact N-O 3.3Å; Q240-K261 PolarHBondContact O-N 2.9Å |
| 241 | L | 97.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 34% | 0.335 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.1 | 174.1 | -51.5 | -175.2 | 0 | 0 | 0 | 109.8 | I233 I235 L239 G259 Y260 | I233-L241 HydrophobicContact CG2-CB 3.78Å; I233-L241 HydrophobicContact CG2-CD1 4.5Å; I233-L241 HydrophobicContact CG2-CG 4.39Å; I233-L241 PolarHBondContact N-O 3.2Å; I233-L241 PolarHBondContact O-N 3.09Å; I235-L241 HydrophobicContact CD1-CD1 3.4Å; I235-L241 HydrophobicContact CD1-CD2 4.45Å; I235-L241 HydrophobicContact CD1-CG 3.68Å; I235-L241 HydrophobicContact CG1-CD1 4.42Å; I235-L241 HydrophobicContact CG1-CG 4.39Å; L239-L241 HydrophobicContact CD1-CD2 4.25Å; L239-L241 HydrophobicContact CG-CD2 4.45Å; L241-G259 WeakPolarHBondContact CA-O 3.46Å; L241-Y260 HydrophobicContact CD2-CG 4.47Å |
| 242 | A | 97.6 | Very high | 93 | Very high | 5 Ų | 5 | 71.7 Ų | 71.7 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | A42 I45 F46 F231 G259 | A42-A242 HydrophobicContact CB-CB 4.17Å; A42-A242 WeakPolarHBondContact O-CB 3.18Å; I45-A242 HydrophobicContact CB-CB 3.68Å; I45-A242 HydrophobicContact CG1-CB 3.91Å; I45-A242 HydrophobicContact CG2-CB 3.87Å; F46-A242 HydrophobicContact CE1-CB 3.89Å; F46-A242 HydrophobicContact CE2-CB 4.47Å; F46-A242 HydrophobicContact CZ-CB 3.79Å; F231-A242 CarbonylContact O-C 3.59Å; F231-A242 VanDerWaalsContact O-CA 3.23Å; F231-A242 WeakPolarHBondContact O-CA 3.35Å; A242-G259 PolarHBondContact N-O 2.82Å; A242-G259 PolarHBondContact O-N 2.95Å |
| 243 | A | 97.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 73.5 Ų | 73.5 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S230 F231 T257 L258 | S230-A243 CarbonylContact C-O 3.52Å; S230-A243 WeakPolarHBondContact CA-O 3.5Å; F231-A243 PolarHBondContact N-O 2.76Å; F231-A243 PolarHBondContact O-N 2.82Å; A243-T257 CarbonylContact C-O 3.6Å; A243-T257 WeakPolarHBondContact CA-O 3.49Å; A243-L258 HydrophobicContact CB-CD2 3.45Å; A243-L258 VanDerWaalsContact CB-CD2 3.45Å |
| 244 | E | 97.8 | Very high | 92.4 | Very high | 15 Ų | 15 | 75.3 Ų | 75.3 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141 | 173.2 | -80.8 | -176.3 | -175.7 | 0 | 0 | 110.2 | A42 H43 F46 G229 T256 T257 | A42-E244 HydrophobicContact CB-CG 4.24Å; H43-E244 WeakPolarHBondContact CA-OE1 3.48Å; H43-E244 WeakPolarHBondContact CB-OE1 3.3Å; H43-E244 IonicContact CD2-OE2 3.32Å; H43-E244 PolarHBondContact N-OE1 2.89Å; F46-E244 HydrophobicContact CE2-CB 3.98Å; F46-E244 VanDerWaalsContact CE2-CD 3.43Å; F46-E244 HydrophobicContact CE2-CG 3.67Å; F46-E244 WeakPolarHBondContact CE2-OE2 3.31Å; F46-E244 HydrophobicContact CZ-CB 4.19Å; F46-E244 HydrophobicContact CZ-CG 4.12Å; G229-E244 CarbonylContact O-C 3.58Å; G229-E244 WeakPolarHBondContact O-CA 3.49Å; E244-T256 CarbonylContact O-C 3.53Å; E244-T256 WeakPolarHBondContact O-CA 3.28Å; E244-T257 PolarHBondContact N-O 2.78Å; E244-T257 PolarHBondContact O-N 3.25Å |
| 245 | F | 97.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 73.8 Ų | 73.8 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 115.7 | 178.5 | 175.1 | -111.1 | 0 | 0 | 0 | 108.8 | L227 H228 G229 N254 T256 | L227-F245 HydrophobicContact CD2-CD1 3.57Å; L227-F245 HydrophobicContact CD2-CE1 3.77Å; H228-F245 CarbonylContact C-O 3.49Å; H228-F245 WeakPolarHBondContact CA-O 3.43Å; G229-F245 PolarHBondContact N-O 3.16Å; G229-F245 PolarHBondContact O-N 3.44Å; F245-N254 HydrophobicContact CE2-CB 4.28Å; F245-T256 WeakPolarHBondContact CD2-OG1 3.36Å |
| 246 | E | 95.2 | Very high | 92.5 | Very high | 97 Ų | 97 | 71.4 Ų | 71.4 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.9 | 176.3 | -60.7 | -165 | 141.3 | 0 | 0 | 109.4 | H228 N254 T255 | H228-E246 IonicContact CE1-OE1 3.84Å; H228-E246 PolarHBondContact CE1-OE1 2.79Å; H228-E246 IonicContact ND1-OE1 3.19Å; H228-E246 PolarHBondContact ND1-OE1 2.84Å; E246-N254 CarbonylContact O-C 3.58Å; E246-N254 WeakPolarHBondContact O-CA 3.19Å; E246-T255 PolarHBondContact N-O 3.41Å; E246-T255 PolarHBondContact O-N 2.79Å |
| 247 | S | 94.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 68.6 Ų | 68.6 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.5 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | S226 L227 N254 | S226-S247 CarbonylContact C-O 3.44Å; S226-S247 WeakPolarHBondContact CA-O 3.4Å; L227-S247 PolarHBondContact N-O 3.17Å; L227-S247 PolarHBondContact O-N 3.09Å; S247-N254 WeakPolarHBondContact CA-OD1 3.21Å; S247-N254 WeakPolarHBondContact CB-OD1 3.39Å; S247-N254 PolarHBondContact OG-OD1 3.41Å |
| 248 | N | 90.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.193 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 105.1 | 172.8 | -174.5 | -14.2 | 0 | 0 | 0 | 109 | Q250 Q251 Q252 S253 | N248-Q250 PolarHBondContact O-N 3.18Å; N248-Q250 PolarHBondContact OD1-N 2.81Å; N248-Q250 VanDerWaalsContact OD1-N 3.09Å; N248-Q251 HydrophobicContact CB-CB 4.28Å; N248-Q251 WeakPolarHBondContact ND2-CG 3.35Å; N248-Q251 PolarHBondContact ND2-OE1 3.09Å; N248-Q251 PolarHBondContact O-N 3.23Å; N248-Q251 PolarHBondContact OD1-N 2.98Å; N248-Q252 PolarHBondContact O-N 3.24Å; N248-S253 PolarHBondContact N-O 2.87Å; N248-S253 PolarHBondContact O-N 2.61Å |
| 249 | Y | 86.4 | Confident | 93.4 | Very high | 154 Ų | 154 | 65.2 Ų | 65.2 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -34.4 | -179 | -172.5 | -98.6 | 0 | 0 | 0 | 112.9 | N225 Q251 Q252 | N225-Y249 HydrophobicContact CB-CD1 4.33Å; N225-Y249 HydrophobicContact CB-CG 4.22Å; N225-Y249 VanDerWaalsContact O-CB 3.29Å; N225-Y249 WeakPolarHBondContact O-CB 3.35Å; N225-Y249 PolarHBondContact O-N 2.89Å; Y249-Q251 VanDerWaalsContact C-N 3.3Å; Y249-Q251 PolarHBondContact O-N 2.94Å; Y249-Q252 WeakPolarHBondContact O-CG 3.29Å; Y249-Q252 PolarHBondContact O-N 2.91Å |
| 250 | Q | 83.4 | Confident | 93.5 | Very high | 131 Ų | 131 | 67.6 Ų | 67.6 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -37 | 178.7 | -70.1 | -177 | -15.9 | 0 | 0 | 112 | N248 Q252 | N248-Q250 PolarHBondContact O-N 3.18Å; N248-Q250 PolarHBondContact OD1-N 2.81Å; N248-Q250 VanDerWaalsContact OD1-N 3.09Å; Q250-Q252 VanDerWaalsContact C-N 3.32Å |
| 251 | Q | 81.7 | Confident | 93.5 | Very high | 142 Ų | 142 | 68 Ų | 68 | 66% | 0.664 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -3.2 | 174.6 | -67.2 | 176.9 | -1.5 | 0 | 0 | 112.8 | N248 Y249 S253 | N248-Q251 HydrophobicContact CB-CB 4.28Å; N248-Q251 WeakPolarHBondContact ND2-CG 3.35Å; N248-Q251 PolarHBondContact ND2-OE1 3.09Å; N248-Q251 PolarHBondContact O-N 3.23Å; N248-Q251 PolarHBondContact OD1-N 2.98Å; Y249-Q251 VanDerWaalsContact C-N 3.3Å; Y249-Q251 PolarHBondContact O-N 2.94Å; Q251-S253 PolarHBondContact O-N 2.78Å; Q251-S253 VanDerWaalsContact O-N 3.15Å |
| 252 | Q | 85.7 | Confident | 93.4 | Very high | 164 Ų | 164 | 69.4 Ų | 69.4 | 77% | 0.766 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 35.1 | -172.5 | -61.3 | -173.7 | -27 | 0 | 0 | 113.1 | N248 Y249 Q250 | N248-Q252 PolarHBondContact O-N 3.24Å; Y249-Q252 WeakPolarHBondContact O-CG 3.29Å; Y249-Q252 PolarHBondContact O-N 2.91Å; Q250-Q252 VanDerWaalsContact C-N 3.32Å |
| 253 | S | 88.2 | Confident | 93.2 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.8 | -175.3 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | N248 Q251 | N248-S253 PolarHBondContact N-O 2.87Å; N248-S253 PolarHBondContact O-N 2.61Å; Q251-S253 PolarHBondContact O-N 2.78Å; Q251-S253 VanDerWaalsContact O-N 3.15Å |
| 254 | N | 93 | Very high | 92.9 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.6 | 170.4 | -59.6 | -48.2 | 0 | 0 | 0 | 107.9 | F245 E246 S247 | F245-N254 HydrophobicContact CE2-CB 4.28Å; E246-N254 CarbonylContact O-C 3.58Å; E246-N254 WeakPolarHBondContact O-CA 3.19Å; S247-N254 WeakPolarHBondContact CA-OD1 3.21Å; S247-N254 WeakPolarHBondContact CB-OD1 3.39Å; S247-N254 PolarHBondContact OG-OD1 3.41Å |
| 255 | T | 94.2 | Very high | 92.4 | Very high | 32 Ų | 32 | 74.9 Ų | 74.9 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.3 | 178.5 | -55.9 | 0 | 0 | 0 | 0 | 108.8 | E246 D276 S277 N278 | E246-T255 PolarHBondContact N-O 3.41Å; E246-T255 PolarHBondContact O-N 2.79Å; T255-D276 HydrophobicContact CG2-CB 4.19Å; T255-S277 WeakPolarHBondContact CA-OG 3.45Å; T255-N278 PolarHBondContact OG1-ND2 3.25Å |
| 256 | T | 96.7 | Very high | 91.8 | Very high | 55 Ų | 55 | 81.1 Ų | 81.1 | 34% | 0.337 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.1 | 170.8 | -50.6 | 0 | 0 | 0 | 0 | 108.4 | E244 F245 D276 S277 | E244-T256 CarbonylContact O-C 3.53Å; E244-T256 WeakPolarHBondContact O-CA 3.28Å; F245-T256 WeakPolarHBondContact CD2-OG1 3.36Å; T256-D276 CarbonylContact O-C 3.52Å; T256-D276 WeakPolarHBondContact O-CA 3.48Å; T256-S277 PolarHBondContact N-OG 2.71Å; T256-S277 PolarHBondContact O-N 2.65Å |
| 257 | T | 96.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 78.7 Ų | 78.7 | 14% | 0.135 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.3 | 177.2 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | F46 A243 E244 Q274 I275 | F46-T257 HydrophobicContact CD1-CG2 4.22Å; F46-T257 HydrophobicContact CE1-CG2 3.89Å; F46-T257 HydrophobicContact CE2-CG2 4.39Å; F46-T257 HydrophobicContact CZ-CG2 3.99Å; A243-T257 CarbonylContact C-O 3.6Å; A243-T257 WeakPolarHBondContact CA-O 3.49Å; E244-T257 PolarHBondContact N-O 2.78Å; E244-T257 PolarHBondContact O-N 3.25Å; T257-Q274 HydrophobicContact CG2-CB 4.09Å; T257-Q274 HydrophobicContact CG2-CG 4.5Å; T257-I275 WeakPolarHBondContact CA-O 3.17Å |
| 258 | L | 97.6 | Very high | 91.1 | Very high | 95 Ų | 95 | 80.6 Ų | 80.6 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.5 | 173 | -60.5 | 179.5 | 0 | 0 | 0 | 108.8 | A243 Q274 I275 | A243-L258 HydrophobicContact CB-CD2 3.45Å; A243-L258 VanDerWaalsContact CB-CD2 3.45Å; L258-Q274 CarbonylContact O-C 3.6Å; L258-Q274 WeakPolarHBondContact O-CA 3.41Å; L258-I275 HydrophobicContact CB-CG2 4.21Å; L258-I275 PolarHBondContact N-O 2.78Å; L258-I275 PolarHBondContact O-N 2.87Å |
| 259 | G | 96.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 80.5 Ų | 80.5 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 168 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L241 A242 A273 | L241-G259 WeakPolarHBondContact CA-O 3.46Å; A242-G259 PolarHBondContact N-O 2.82Å; A242-G259 PolarHBondContact O-N 2.95Å; G259-A273 CarbonylContact C-O 3.6Å; G259-A273 WeakPolarHBondContact CA-O 3.13Å |
| 260 | Y | 96.7 | Very high | 91.5 | Very high | 94 Ų | 94 | 74.7 Ų | 74.7 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 154.1 | 178.7 | 71.3 | -88.8 | 0 | 0 | 0 | 111.1 | L239 Q240 L241 F271 K272 A273 | L239-Y260 HydrophobicContact CD1-CD2 4.17Å; Q240-Y260 CarbonylContact O-C 3.53Å; Q240-Y260 VanDerWaalsContact O-CA 3.22Å; Q240-Y260 WeakPolarHBondContact O-CA 3.35Å; Q240-Y260 WeakPolarHBondContact O-CB 3.5Å; L241-Y260 HydrophobicContact CD2-CG 4.47Å; Y260-F271 AromaticContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CE1 4.09Å; Y260-F271 AromaticContact CZ-CD1 3.88Å; Y260-F271 AromaticContact CZ-CE1 3.74Å; Y260-F271 WeakPolarHBondContact OH-CE1 3.42Å; Y260-K272 VanDerWaalsContact O-CA 3.28Å; Y260-K272 WeakPolarHBondContact O-CA 3.46Å; Y260-A273 HydrophobicContact CD1-CB 4.35Å; Y260-A273 HydrophobicContact CE1-CB 3.83Å; Y260-A273 PolarHBondContact N-O 2.85Å; Y260-A273 PolarHBondContact O-N 2.89Å |
| 261 | K | 96.8 | Very high | 92 | Very high | 45 Ų | 45 | 70.7 Ų | 70.7 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126 | 170.2 | 178.7 | -177.7 | -172.9 | -131.3 | 0 | 108 | I45 Q240 D263 T270 F271 K272 | I45-K261 HydrophobicContact CD1-CB 4.34Å; I45-K261 HydrophobicContact CD1-CD 4.31Å; I45-K261 HydrophobicContact CG2-CB 3.72Å; Q240-K261 PolarHBondContact N-O 3.3Å; Q240-K261 PolarHBondContact O-N 2.9Å; K261-D263 VanDerWaalsContact CE-OD1 3.25Å; K261-D263 WeakPolarHBondContact CE-OD1 3.48Å; K261-D263 WeakPolarHBondContact CE-OD2 3.25Å; K261-D263 IonicContact NZ-OD1 2.68Å; K261-D263 PolarHBondContact NZ-OD1 2.76Å; K261-D263 IonicContact NZ-OD2 3.88Å; K261-D263 PolarHBondContact NZ-OD2 2.8Å; K261-T270 HydrophobicContact CG-CG2 4.33Å; K261-F271 CarbonylContact C-O 3.43Å; K261-F271 WeakPolarHBondContact CA-O 3.09Å; K261-K272 HydrophobicContact CB-CG 4.1Å; K261-K272 HydrophobicContact CG-CG 3.91Å |
| 262 | Y | 95.4 | Very high | 92.7 | Very high | 93 Ų | 93 | 65.9 Ų | 65.9 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 113.6 | 176 | -170 | -120.7 | 0 | 0 | 0 | 109.8 | N238 L239 I264 T270 F271 | N238-Y262 HydrophobicContact CB-CE2 4.06Å; N238-Y262 CarbonylContact O-C 3.55Å; N238-Y262 WeakPolarHBondContact O-CA 3.33Å; N238-Y262 WeakPolarHBondContact O-CD2 3.43Å; L239-Y262 HydrophobicContact CB-CD2 4.02Å; L239-Y262 HydrophobicContact CB-CE2 4.4Å; L239-Y262 HydrophobicContact CD1-CD2 3.9Å; Y262-I264 HydrophobicContact CD1-CD1 4.03Å; Y262-I264 HydrophobicContact CD1-CG1 3.77Å; Y262-I264 HydrophobicContact CE1-CD1 3.49Å; Y262-I264 VanDerWaalsContact CE1-CD1 3.49Å; Y262-I264 HydrophobicContact CE1-CG1 3.36Å; Y262-T270 WeakPolarHBondContact O-CA 3.2Å; Y262-F271 PolarHBondContact N-O 2.8Å; Y262-F271 PolarHBondContact O-N 2.87Å |
| 263 | D | 94.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.3 | 177.7 | -66.7 | -46.9 | 0 | 0 | 0 | 108.9 | N238 K261 P265 F269 T270 | N238-D263 WeakPolarHBondContact CB-O 3.3Å; N238-D263 PolarHBondContact O-N 3.3Å; N238-D263 PolarHBondContact OD1-O 3.38Å; K261-D263 VanDerWaalsContact CE-OD1 3.25Å; K261-D263 WeakPolarHBondContact CE-OD1 3.48Å; K261-D263 WeakPolarHBondContact CE-OD2 3.25Å; K261-D263 IonicContact NZ-OD1 2.68Å; K261-D263 PolarHBondContact NZ-OD1 2.76Å; K261-D263 IonicContact NZ-OD2 3.88Å; K261-D263 PolarHBondContact NZ-OD2 2.8Å; D263-P265 WeakPolarHBondContact O-CD 3.44Å; D263-F269 CarbonylContact C-O 3.53Å; D263-T270 VanDerWaalsContact OD1-CB 3.27Å; D263-T270 WeakPolarHBondContact OD1-CB 3.46Å; D263-T270 WeakPolarHBondContact OD1-CG2 3.34Å; D263-T270 PolarHBondContact OD1-OG1 3.01Å |
| 264 | I | 91.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 92.1 | 172.3 | -50.6 | 178.3 | 0 | 0 | 0 | 107.7 | Y262 K266 A267 N268 F269 | Y262-I264 HydrophobicContact CD1-CD1 4.03Å; Y262-I264 HydrophobicContact CD1-CG1 3.77Å; Y262-I264 HydrophobicContact CE1-CD1 3.49Å; Y262-I264 VanDerWaalsContact CE1-CD1 3.49Å; Y262-I264 HydrophobicContact CE1-CG1 3.36Å; I264-K266 VanDerWaalsContact C-N 3.26Å; I264-K266 PolarHBondContact O-N 2.82Å; I264-A267 HydrophobicContact CB-CB 4.32Å; I264-A267 HydrophobicContact CG2-CB 3.93Å; I264-A267 PolarHBondContact O-N 2.9Å; I264-N268 PolarHBondContact O-N 3.39Å; I264-F269 HydrophobicContact CB-CB 4.26Å; I264-F269 HydrophobicContact CB-CD1 4.26Å; I264-F269 HydrophobicContact CD1-CD1 3.63Å; I264-F269 HydrophobicContact CD1-CE1 4.21Å; I264-F269 HydrophobicContact CG1-CD1 3.91Å; I264-F269 PolarHBondContact N-O 2.79Å; I264-F269 PolarHBondContact O-N 3.1Å |
| 265 | P | 86.6 | Confident | 93.7 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -55.8 | -40 | -177.1 | -27.5 | 34.3 | 0 | 0 | 0 | 113.1 | N238 D263 A267 N268 | N238-P265 WeakPolarHBondContact OD1-CD 3.48Å; N238-P265 WeakPolarHBondContact OD1-CG 3.44Å; D263-P265 WeakPolarHBondContact O-CD 3.44Å; P265-A267 PolarHBondContact O-N 2.8Å; P265-N268 PolarHBondContact O-N 2.84Å; P265-N268 VanDerWaalsContact O-N 3.1Å |
| 266 | K | 85.6 | Confident | 93.7 | Very high | 209 Ų | 209 | 58.5 Ų | 58.5 | 91% | 0.909 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -61.6 | -28.7 | -179.6 | -67.1 | -176.7 | 179.6 | 177.3 | 0 | 113.6 | I264 | I264-K266 VanDerWaalsContact C-N 3.26Å; I264-K266 PolarHBondContact O-N 2.82Å |
| 267 | A | 85.9 | Confident | 93.5 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -102.6 | 2.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I264 P265 F269 | I264-A267 HydrophobicContact CB-CB 4.32Å; I264-A267 HydrophobicContact CG2-CB 3.93Å; I264-A267 PolarHBondContact O-N 2.9Å; P265-A267 PolarHBondContact O-N 2.8Å; A267-F269 HydrophobicContact CB-CB 3.89Å; A267-F269 PolarHBondContact O-N 3.3Å |
| 268 | N | 88.2 | Confident | 93.2 | Very high | 65 Ų | 65 | 62 Ų | 62 | 35% | 0.348 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 47.8 | -169 | -60.4 | -65.8 | 0 | 0 | 0 | 112.3 | I264 P265 K288 T290 | I264-N268 PolarHBondContact O-N 3.39Å; P265-N268 PolarHBondContact O-N 2.84Å; P265-N268 VanDerWaalsContact O-N 3.1Å; N268-K288 HydrophobicContact CB-CB 3.92Å; N268-K288 PolarHBondContact O-N 3.18Å; N268-T290 PolarHBondContact ND2-OG1 3.09Å |
| 269 | F | 91.1 | Very high | 92.8 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136 | -167.5 | 174.9 | -110.1 | 0 | 0 | 0 | 110.6 | D263 I264 A267 F271 F285 E286 K287 | D263-F269 CarbonylContact C-O 3.53Å; I264-F269 HydrophobicContact CB-CB 4.26Å; I264-F269 HydrophobicContact CB-CD1 4.26Å; I264-F269 HydrophobicContact CD1-CD1 3.63Å; I264-F269 HydrophobicContact CD1-CE1 4.21Å; I264-F269 HydrophobicContact CG1-CD1 3.91Å; I264-F269 PolarHBondContact N-O 2.79Å; I264-F269 PolarHBondContact O-N 3.1Å; A267-F269 HydrophobicContact CB-CB 3.89Å; A267-F269 PolarHBondContact O-N 3.3Å; F269-F271 HydrophobicContact CE1-CB 3.77Å; F269-F271 HydrophobicContact CZ-CB 3.66Å; F269-F271 HydrophobicContact CZ-CD2 4.21Å; F269-F271 HydrophobicContact CZ-CG 4.33Å; F269-F285 HydrophobicContact CD2-CD2 4.37Å; F269-F285 HydrophobicContact CD2-CE1 4.49Å; F269-F285 AromaticContact CD2-CE2 3.94Å; F269-F285 HydrophobicContact CD2-CE2 3.94Å; F269-F285 AromaticContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CE2-CD1 4.19Å; F269-F285 AromaticContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CE1 4.06Å; F269-F285 AromaticContact CE2-CE2 3.03Å; F269-F285 HydrophobicContact CE2-CE2 3.03Å; F269-F285 AromaticContact CE2-CG 3.76Å; F269-F285 HydrophobicContact CE2-CG 3.76Å; F269-F285 AromaticContact CE2-CZ 3.48Å; F269-F285 HydrophobicContact CE2-CZ 3.48Å; F269-F285 VanDerWaalsContact CE2-CZ 3.48Å; F269-F285 AromaticContact CZ-CD2 3.54Å; F269-F285 HydrophobicContact CZ-CD2 3.54Å; F269-F285 AromaticContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CG 4.39Å; F269-F285 HydrophobicContact CZ-CZ 4.39Å; F269-E286 WeakPolarHBondContact CA-O 3.41Å; F269-E286 WeakPolarHBondContact CD2-O 3.35Å; F269-K287 HydrophobicContact CD2-CB 4.33Å |
| 270 | T | 94 | Very high | 92.6 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.4 | 175.1 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | K261 Y262 D263 K272 E286 | K261-T270 HydrophobicContact CG-CG2 4.33Å; Y262-T270 WeakPolarHBondContact O-CA 3.2Å; D263-T270 VanDerWaalsContact OD1-CB 3.27Å; D263-T270 WeakPolarHBondContact OD1-CB 3.46Å; D263-T270 WeakPolarHBondContact OD1-CG2 3.34Å; D263-T270 PolarHBondContact OD1-OG1 3.01Å; T270-K272 HydrophobicContact CG2-CG 4.37Å; T270-E286 PolarHBondContact N-O 3.27Å; T270-E286 PolarHBondContact O-N 2.98Å |
| 271 | F | 95.5 | Very high | 92.5 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 21% | 0.211 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.5 | 173.2 | -171.8 | -104.2 | 0 | 0 | 0 | 109.6 | Y260 K261 Y262 F269 A273 F285 | Y260-F271 AromaticContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CE1 4.09Å; Y260-F271 AromaticContact CZ-CD1 3.88Å; Y260-F271 AromaticContact CZ-CE1 3.74Å; Y260-F271 WeakPolarHBondContact OH-CE1 3.42Å; K261-F271 CarbonylContact C-O 3.43Å; K261-F271 WeakPolarHBondContact CA-O 3.09Å; Y262-F271 PolarHBondContact N-O 2.8Å; Y262-F271 PolarHBondContact O-N 2.87Å; F269-F271 HydrophobicContact CE1-CB 3.77Å; F269-F271 HydrophobicContact CZ-CB 3.66Å; F269-F271 HydrophobicContact CZ-CD2 4.21Å; F269-F271 HydrophobicContact CZ-CG 4.33Å; F271-A273 HydrophobicContact CD1-CB 4.47Å; F271-A273 HydrophobicContact CE1-CB 3.61Å; F271-A273 HydrophobicContact CZ-CB 4.07Å; F271-F285 HydrophobicContact CD2-CB 4.25Å; F271-F285 HydrophobicContact CD2-CD2 4.46Å |
| 272 | K | 96.6 | Very high | 92.4 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.7 | 169.7 | -56.6 | 176 | 176.7 | -165.5 | 0 | 109 | D44 I45 P47 Y260 K261 T270 S283 S284 | D44-K272 PolarHBondContact O-NZ 2.8Å; I45-K272 WeakPolarHBondContact O-CD 3.48Å; P47-K272 HydrophobicContact CB-CB 3.98Å; Y260-K272 VanDerWaalsContact O-CA 3.28Å; Y260-K272 WeakPolarHBondContact O-CA 3.46Å; K261-K272 HydrophobicContact CB-CG 4.1Å; K261-K272 HydrophobicContact CG-CG 3.91Å; T270-K272 HydrophobicContact CG2-CG 4.37Å; K272-S283 CarbonylContact O-C 3.59Å; K272-S283 VanDerWaalsContact O-CA 3.25Å; K272-S283 WeakPolarHBondContact O-CA 3.48Å; K272-S284 WeakPolarHBondContact CB-OG 3.29Å; K272-S284 PolarHBondContact N-O 3.39Å; K272-S284 PolarHBondContact O-N 2.99Å |
| 273 | A | 96.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G259 Y260 F271 A282 | G259-A273 CarbonylContact C-O 3.6Å; G259-A273 WeakPolarHBondContact CA-O 3.13Å; Y260-A273 HydrophobicContact CD1-CB 4.35Å; Y260-A273 HydrophobicContact CE1-CB 3.83Å; Y260-A273 PolarHBondContact N-O 2.85Å; Y260-A273 PolarHBondContact O-N 2.89Å; F271-A273 HydrophobicContact CD1-CB 4.47Å; F271-A273 HydrophobicContact CE1-CB 3.61Å; F271-A273 HydrophobicContact CZ-CB 4.07Å; A273-A282 CarbonylContact C-O 3.57Å; A273-A282 VanDerWaalsContact CA-O 3.3Å; A273-A282 WeakPolarHBondContact CA-O 3.49Å |
| 274 | Q | 96.1 | Very high | 92.4 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.5 | 174.1 | 70.7 | -180 | 13.7 | 0 | 0 | 111.2 | F46 P47 T257 L258 I281 A282 | F46-Q274 HydrophobicContact CD1-CB 3.89Å; F46-Q274 VanDerWaalsContact CG-OE1 3.31Å; P47-Q274 HydrophobicContact CG-CB 4.27Å; P47-Q274 HydrophobicContact CG-CG 3.75Å; T257-Q274 HydrophobicContact CG2-CB 4.09Å; T257-Q274 HydrophobicContact CG2-CG 4.5Å; L258-Q274 CarbonylContact O-C 3.6Å; L258-Q274 WeakPolarHBondContact O-CA 3.41Å; Q274-I281 WeakPolarHBondContact O-CA 3.36Å; Q274-A282 HydrophobicContact CG-CB 3.86Å; Q274-A282 PolarHBondContact N-O 2.76Å; Q274-A282 PolarHBondContact O-N 2.86Å |
| 275 | I | 95.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.7 | 169.9 | -175.5 | 166.5 | 0 | 0 | 0 | 108.5 | T257 L258 N280 I281 | T257-I275 WeakPolarHBondContact CA-O 3.17Å; L258-I275 HydrophobicContact CB-CG2 4.21Å; L258-I275 PolarHBondContact N-O 2.78Å; L258-I275 PolarHBondContact O-N 2.87Å; I275-N280 CarbonylContact C-O 3.59Å; I275-N280 WeakPolarHBondContact CA-O 3.35Å; I275-I281 HydrophobicContact CB-CG1 4.4Å; I275-I281 HydrophobicContact CD1-CD1 4.37Å; I275-I281 HydrophobicContact CD1-CG1 4.1Å; I275-I281 HydrophobicContact CG1-CG1 3.99Å |
| 276 | D | 94 | Very high | 92.9 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 165 | 173.7 | 78 | 9.3 | 0 | 0 | 0 | 112.8 | T255 T256 N278 G279 N280 | T255-D276 HydrophobicContact CG2-CB 4.19Å; T256-D276 CarbonylContact O-C 3.52Å; T256-D276 WeakPolarHBondContact O-CA 3.48Å; D276-N278 PolarHBondContact O-N 2.88Å; D276-N278 VanDerWaalsContact OD1-C 3.3Å; D276-N278 WeakPolarHBondContact OD1-CA 3.34Å; D276-N278 WeakPolarHBondContact OD1-CB 3.21Å; D276-N278 PolarHBondContact OD1-N 2.82Å; D276-G279 PolarHBondContact O-N 2.93Å; D276-G279 PolarHBondContact OD1-N 2.79Å; D276-N280 PolarHBondContact N-O 2.86Å; D276-N280 WeakPolarHBondContact OD1-CA 3.33Å; D276-N280 WeakPolarHBondContact OD1-CB 3.42Å; D276-N280 PolarHBondContact OD1-N 2.8Å; D276-N280 PolarHBondContact OD1-ND2 2.64Å; D276-N280 WeakPolarHBondContact OD2-CB 3.36Å; D276-N280 PolarHBondContact OD2-ND2 2.78Å |
| 277 | S | 92.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 48 Ų | 48 | 49% | 0.49 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.9 | 177.1 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | T255 T256 G279 | T255-S277 WeakPolarHBondContact CA-OG 3.45Å; T256-S277 PolarHBondContact N-OG 2.71Å; T256-S277 PolarHBondContact O-N 2.65Å; S277-G279 VanDerWaalsContact C-N 3.3Å |
| 278 | N | 90.4 | Very high | 93.5 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 43% | 0.433 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.6 | 174.9 | -61.9 | -49.1 | 0 | 0 | 0 | 112.3 | T255 D276 N280 | T255-N278 PolarHBondContact OG1-ND2 3.25Å; D276-N278 PolarHBondContact O-N 2.88Å; D276-N278 VanDerWaalsContact OD1-C 3.3Å; D276-N278 WeakPolarHBondContact OD1-CA 3.34Å; D276-N278 WeakPolarHBondContact OD1-CB 3.21Å; D276-N278 PolarHBondContact OD1-N 2.82Å; N278-N280 VanDerWaalsContact C-N 3.34Å |
| 279 | G | 88.8 | Confident | 93.4 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 78.1 | 16.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | D276 S277 Q304 | D276-G279 PolarHBondContact O-N 2.93Å; D276-G279 PolarHBondContact OD1-N 2.79Å; S277-G279 VanDerWaalsContact C-N 3.3Å; G279-Q304 PolarHBondContact O-N 2.86Å |
| 280 | N | 92.9 | Very high | 93 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.9 | 165.9 | -55.1 | -63.6 | 0 | 0 | 0 | 109.2 | I275 D276 N278 C302 N303 | I275-N280 CarbonylContact C-O 3.59Å; I275-N280 WeakPolarHBondContact CA-O 3.35Å; D276-N280 PolarHBondContact N-O 2.86Å; D276-N280 WeakPolarHBondContact OD1-CA 3.33Å; D276-N280 WeakPolarHBondContact OD1-CB 3.42Å; D276-N280 PolarHBondContact OD1-N 2.8Å; D276-N280 PolarHBondContact OD1-ND2 2.64Å; D276-N280 WeakPolarHBondContact OD2-CB 3.36Å; D276-N280 PolarHBondContact OD2-ND2 2.78Å; N278-N280 VanDerWaalsContact C-N 3.34Å; N280-C302 CarbonylContact C-O 3.56Å; N280-C302 WeakPolarHBondContact CA-O 3.31Å; N280-N303 WeakPolarHBondContact OD1-CB 3.39Å; N280-N303 PolarHBondContact OD1-ND2 2.88Å |
| 281 | I | 94.5 | Very high | 92.4 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 32% | 0.318 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.4 | 174 | -59.4 | 170.4 | 0 | 0 | 0 | 105.9 | Q274 I275 M301 C302 Q304 | Q274-I281 WeakPolarHBondContact O-CA 3.36Å; I275-I281 HydrophobicContact CB-CG1 4.4Å; I275-I281 HydrophobicContact CD1-CD1 4.37Å; I275-I281 HydrophobicContact CD1-CG1 4.1Å; I275-I281 HydrophobicContact CG1-CG1 3.99Å; I281-M301 CarbonylContact O-C 3.52Å; I281-M301 WeakPolarHBondContact O-CA 3.3Å; I281-C302 HydrophobicContact CB-CB 4.37Å; I281-C302 PolarHBondContact N-O 3.5Å; I281-C302 PolarHBondContact O-N 2.87Å; I281-Q304 HydrophobicContact CD1-CG 4.18Å |
| 282 | A | 94.9 | Very high | 92 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P47 P49 A273 Q274 A300 M301 | P47-A282 HydrophobicContact CG-CB 3.96Å; P49-A282 HydrophobicContact CB-CB 4.33Å; P49-A282 HydrophobicContact CG-CB 3.95Å; A273-A282 CarbonylContact C-O 3.57Å; A273-A282 VanDerWaalsContact CA-O 3.3Å; A273-A282 WeakPolarHBondContact CA-O 3.49Å; Q274-A282 HydrophobicContact CG-CB 3.86Å; Q274-A282 PolarHBondContact N-O 2.76Å; Q274-A282 PolarHBondContact O-N 2.86Å; A282-A300 CarbonylContact C-O 3.54Å; A282-A300 WeakPolarHBondContact CA-O 3.48Å; A282-M301 HydrophobicContact CB-CG 4.38Å |
| 283 | S | 94.9 | Very high | 91.4 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145.7 | 172.7 | 61 | 0 | 0 | 0 | 0 | 110.4 | K272 C299 A300 | K272-S283 CarbonylContact O-C 3.59Å; K272-S283 VanDerWaalsContact O-CA 3.25Å; K272-S283 WeakPolarHBondContact O-CA 3.48Å; S283-C299 CarbonylContact O-C 3.51Å; S283-C299 VanDerWaalsContact O-CA 3.29Å; S283-C299 WeakPolarHBondContact O-CA 2.98Å; S283-A300 PolarHBondContact N-O 2.88Å; S283-A300 PolarHBondContact O-N 2.84Å |
| 284 | S | 94.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.6 | 170.9 | 67.9 | 0 | 0 | 0 | 0 | 109.2 | P47 K272 L298 | P47-S284 WeakPolarHBondContact CB-OG 3.26Å; K272-S284 WeakPolarHBondContact CB-OG 3.29Å; K272-S284 PolarHBondContact N-O 3.39Å; K272-S284 PolarHBondContact O-N 2.99Å; S284-L298 CarbonylContact C-O 3.46Å; S284-L298 WeakPolarHBondContact CA-O 3.42Å |
| 285 | F | 93.8 | Very high | 90.9 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.5 | 178.5 | 168.1 | -70.8 | 0 | 0 | 0 | 106.5 | F269 F271 K287 F296 S297 L298 | F269-F285 HydrophobicContact CD2-CD2 4.37Å; F269-F285 HydrophobicContact CD2-CE1 4.49Å; F269-F285 AromaticContact CD2-CE2 3.94Å; F269-F285 HydrophobicContact CD2-CE2 3.94Å; F269-F285 AromaticContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CE2-CD1 4.19Å; F269-F285 AromaticContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CE1 4.06Å; F269-F285 AromaticContact CE2-CE2 3.03Å; F269-F285 HydrophobicContact CE2-CE2 3.03Å; F269-F285 AromaticContact CE2-CG 3.76Å; F269-F285 HydrophobicContact CE2-CG 3.76Å; F269-F285 AromaticContact CE2-CZ 3.48Å; F269-F285 HydrophobicContact CE2-CZ 3.48Å; F269-F285 VanDerWaalsContact CE2-CZ 3.48Å; F269-F285 AromaticContact CZ-CD2 3.54Å; F269-F285 HydrophobicContact CZ-CD2 3.54Å; F269-F285 AromaticContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CG 4.39Å; F269-F285 HydrophobicContact CZ-CZ 4.39Å; F271-F285 HydrophobicContact CD2-CB 4.25Å; F271-F285 HydrophobicContact CD2-CD2 4.46Å; F285-K287 HydrophobicContact CE1-CB 3.76Å; F285-K287 HydrophobicContact CZ-CB 4.19Å; F285-K287 HydrophobicContact CZ-CD 4.47Å; F285-F296 HydrophobicContact CD1-CD1 4.33Å; F285-F296 HydrophobicContact CD1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CD1 4.05Å; F285-F296 HydrophobicContact CE1-CE1 4.38Å; F285-S297 CarbonylContact O-C 3.58Å; F285-S297 WeakPolarHBondContact O-CA 3.03Å; F285-L298 HydrophobicContact CB-CB 3.99Å; F285-L298 HydrophobicContact CD1-CB 4.1Å; F285-L298 HydrophobicContact CG-CB 4.32Å; F285-L298 PolarHBondContact N-O 2.8Å; F285-L298 PolarHBondContact O-N 2.86Å |
| 286 | E | 94 | Very high | 90.9 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128 | 175.6 | -68 | -175.2 | 175.3 | 0 | 0 | 109.4 | F269 T270 F296 | F269-E286 WeakPolarHBondContact CA-O 3.41Å; F269-E286 WeakPolarHBondContact CD2-O 3.35Å; T270-E286 PolarHBondContact N-O 3.27Å; T270-E286 PolarHBondContact O-N 2.98Å; E286-F296 CarbonylContact C-O 3.56Å; E286-F296 WeakPolarHBondContact CA-O 3.49Å |
| 287 | K | 93.6 | Very high | 90.9 | Very high | 87 Ų | 87 | 65 Ų | 65 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 120 | 177.5 | -175.9 | 174 | -179.4 | 177.2 | 0 | 109.9 | F269 F285 L289 T295 F296 | F269-K287 HydrophobicContact CD2-CB 4.33Å; F285-K287 HydrophobicContact CE1-CB 3.76Å; F285-K287 HydrophobicContact CZ-CB 4.19Å; F285-K287 HydrophobicContact CZ-CD 4.47Å; K287-L289 HydrophobicContact CD-CD2 4.02Å; K287-L289 HydrophobicContact CG-CD2 4.08Å; K287-T295 WeakPolarHBondContact O-CA 3.32Å; K287-F296 PolarHBondContact N-O 3.14Å; K287-F296 PolarHBondContact O-N 2.74Å |
| 288 | K | 91.2 | Very high | 91 | Very high | 123 Ų | 123 | 64 Ų | 64 | 54% | 0.535 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.8 | 171.4 | -47.4 | -177.3 | 174 | 177.7 | 0 | 108.6 | N268 T290 T295 | N268-K288 HydrophobicContact CB-CB 3.92Å; N268-K288 PolarHBondContact O-N 3.18Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 2.9Å; K288-T290 VanDerWaalsContact O-N 3.16Å; K288-T295 HydrophobicContact CG-CG2 4.05Å |
| 289 | L | 87.1 | Confident | 91.1 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | trans | -89.6 | 70.4 | -175.5 | -60.8 | 175.5 | 0 | 0 | 0 | 110.1 | K287 F292 F294 F296 | K287-L289 HydrophobicContact CD-CD2 4.02Å; K287-L289 HydrophobicContact CG-CD2 4.08Å; L289-F292 CarbonylContact C-O 3.52Å; L289-F292 CarbonylContact O-C 3.6Å; L289-F292 WeakPolarHBondContact O-CA 3.43Å; L289-F292 PolarHBondContact O-N 3.42Å; L289-F294 HydrophobicContact CB-CB 4.32Å; L289-F294 HydrophobicContact CD1-CB 4.36Å; L289-F294 PolarHBondContact N-O 2.9Å; L289-F296 HydrophobicContact CD1-CB 4.22Å | ||
| 290 | T | 82.2 | Confident | 91.3 | Very high | 97 Ų | 97 | 61 Ų | 61 | 60% | 0.595 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 140.7 | 172.2 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | N268 K288 | N268-T290 PolarHBondContact ND2-OG1 3.09Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 2.9Å; K288-T290 VanDerWaalsContact O-N 3.16Å |
| 291 | P | 81.6 | Confident | 91.2 | Very high | 123 Ų | 123 | 62 Ų | 62 | 80% | 0.799 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.9 | -0.1 | 8.8 | 36 | -37 | 0 | 0 | 0 | 115.1 | ||
| 292 | F | 85.4 | Confident | 91.1 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -77.6 | 148.2 | -179.4 | -60.4 | -71.6 | 0 | 0 | 0 | 111.3 | L289 F294 | L289-F292 CarbonylContact C-O 3.52Å; L289-F292 CarbonylContact O-C 3.6Å; L289-F292 WeakPolarHBondContact O-CA 3.43Å; L289-F292 PolarHBondContact O-N 3.42Å; F292-F294 HydrophobicContact CB-CB 4.46Å; F292-F294 HydrophobicContact CB-CD2 3.42Å; F292-F294 VanDerWaalsContact CB-CD2 3.42Å; F292-F294 HydrophobicContact CB-CE2 3.86Å; F292-F294 HydrophobicContact CB-CG 4.11Å; F292-F294 HydrophobicContact CD1-CE2 4.42Å; F292-F294 HydrophobicContact CG-CD2 4.09Å; F292-F294 HydrophobicContact CG-CE2 4.17Å; F292-F294 PolarHBondContact O-N 2.85Å |
| 293 | P | 85 | Confident | 90.8 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -76.2 | 47.1 | 174.4 | 33.3 | -35.9 | 0 | 0 | 0 | 111.3 | V317 G318 | P293-V317 WeakPolarHBondContact O-CA 3.48Å; P293-G318 VanDerWaalsContact CB-O 3.24Å; P293-G318 WeakPolarHBondContact CB-O 3.32Å; P293-G318 PolarHBondContact O-N 3.05Å |
| 294 | F | 90.1 | Very high | 90.1 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | -179.6 | -62.4 | -41.4 | 0 | 0 | 0 | 110.1 | L289 F292 L315 M316 V317 | L289-F294 HydrophobicContact CB-CB 4.32Å; L289-F294 HydrophobicContact CD1-CB 4.36Å; L289-F294 PolarHBondContact N-O 2.9Å; F292-F294 HydrophobicContact CB-CB 4.46Å; F292-F294 HydrophobicContact CB-CD2 3.42Å; F292-F294 VanDerWaalsContact CB-CD2 3.42Å; F292-F294 HydrophobicContact CB-CE2 3.86Å; F292-F294 HydrophobicContact CB-CG 4.11Å; F292-F294 HydrophobicContact CD1-CE2 4.42Å; F292-F294 HydrophobicContact CG-CD2 4.09Å; F292-F294 HydrophobicContact CG-CE2 4.17Å; F292-F294 PolarHBondContact O-N 2.85Å; F294-L315 HydrophobicContact CB-CD1 4.23Å; F294-M316 CarbonylContact C-O 3.52Å; F294-M316 WeakPolarHBondContact CA-O 3.2Å; F294-V317 HydrophobicContact CD1-CB 4.15Å; F294-V317 HydrophobicContact CD1-CG1 3.93Å; F294-V317 HydrophobicContact CD1-CG2 3.71Å; F294-V317 HydrophobicContact CE1-CB 4.17Å; F294-V317 HydrophobicContact CE1-CG1 3.62Å; F294-V317 HydrophobicContact CE1-CG2 3.68Å |
| 295 | T | 92.7 | Very high | 89.5 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 16% | 0.16 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.4 | 166.9 | -54.7 | 0 | 0 | 0 | 0 | 108.3 | K287 K288 M316 | K287-T295 WeakPolarHBondContact O-CA 3.32Å; K288-T295 HydrophobicContact CG-CG2 4.05Å; T295-M316 PolarHBondContact N-O 2.93Å; T295-M316 PolarHBondContact O-N 3.31Å |
| 296 | F | 94.1 | Very high | 89.2 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.5 | 173.3 | 179 | -100.9 | 0 | 0 | 0 | 109.1 | F285 E286 K287 L289 L298 I313 | F285-F296 HydrophobicContact CD1-CD1 4.33Å; F285-F296 HydrophobicContact CD1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CD1 4.05Å; F285-F296 HydrophobicContact CE1-CE1 4.38Å; E286-F296 CarbonylContact C-O 3.56Å; E286-F296 WeakPolarHBondContact CA-O 3.49Å; K287-F296 PolarHBondContact N-O 3.14Å; K287-F296 PolarHBondContact O-N 2.74Å; L289-F296 HydrophobicContact CD1-CB 4.22Å; F296-L298 HydrophobicContact CE1-CB 4.08Å; F296-L298 HydrophobicContact CE1-CD1 4.17Å; F296-L298 HydrophobicContact CZ-CD1 3.88Å; F296-I313 HydrophobicContact CE2-CG2 3.63Å; F296-I313 HydrophobicContact CZ-CG2 4.03Å |
| 297 | S | 93.9 | Very high | 88.8 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 10% | 0.098 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137 | 177.7 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | F285 G314 | F285-S297 CarbonylContact O-C 3.58Å; F285-S297 WeakPolarHBondContact O-CA 3.03Å; S297-G314 PolarHBondContact N-O 2.85Å; S297-G314 PolarHBondContact O-N 2.83Å; S297-G314 WeakPolarHBondContact OG-CA 3.49Å; S297-G314 PolarHBondContact OG-O 2.99Å |
| 298 | L | 94.6 | Very high | 88.5 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128.8 | 176.4 | -158.9 | 71.1 | 0 | 0 | 0 | 108.9 | S284 F285 F296 F311 G312 I313 | S284-L298 CarbonylContact C-O 3.46Å; S284-L298 WeakPolarHBondContact CA-O 3.42Å; F285-L298 HydrophobicContact CB-CB 3.99Å; F285-L298 HydrophobicContact CD1-CB 4.1Å; F285-L298 HydrophobicContact CG-CB 4.32Å; F285-L298 PolarHBondContact N-O 2.8Å; F285-L298 PolarHBondContact O-N 2.86Å; F296-L298 HydrophobicContact CE1-CB 4.08Å; F296-L298 HydrophobicContact CE1-CD1 4.17Å; F296-L298 HydrophobicContact CZ-CD1 3.88Å; L298-F311 HydrophobicContact CD1-CE1 3.68Å; L298-F311 HydrophobicContact CD1-CE2 3.63Å; L298-F311 HydrophobicContact CD1-CZ 3.03Å; L298-F311 HydrophobicContact CD2-CE2 3.65Å; L298-F311 HydrophobicContact CD2-CZ 3.66Å; L298-F311 HydrophobicContact CG-CE1 4.43Å; L298-F311 HydrophobicContact CG-CE2 3.43Å; L298-F311 VanDerWaalsContact CG-CE2 3.43Å; L298-F311 HydrophobicContact CG-CZ 3.41Å; L298-F311 VanDerWaalsContact CG-CZ 3.41Å; L298-G312 WeakPolarHBondContact CA-O 3.22Å; L298-I313 HydrophobicContact CD1-CB 4.43Å; L298-I313 HydrophobicContact CD1-CG1 3.81Å |
| 299 | C | 93 | Very high | 88.4 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.7 | 178.6 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | P49 F50 S283 F311 G312 | P49-C299 HydrophobicContact CB-CB 4.26Å; F50-C299 HydrophobicContact CD1-CB 4.16Å; F50-C299 VanDerWaalsContact CD1-SG 3.53Å; F50-C299 HydrophobicContact CE1-CB 4.16Å; F50-C299 WeakPolarHBondContact CE1-SG 3.46Å; S283-C299 CarbonylContact O-C 3.51Å; S283-C299 VanDerWaalsContact O-CA 3.29Å; S283-C299 WeakPolarHBondContact O-CA 2.98Å; C299-F311 CarbonylContact O-C 3.54Å; C299-F311 WeakPolarHBondContact O-CA 3.46Å; C299-F311 WeakPolarHBondContact O-CD2 2.95Å; C299-G312 PolarHBondContact N-O 2.82Å; C299-G312 PolarHBondContact O-N 2.85Å |
| 300 | A | 93.1 | Very high | 88.6 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 28% | 0.281 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A282 S283 F311 | A282-A300 CarbonylContact C-O 3.54Å; A282-A300 WeakPolarHBondContact CA-O 3.48Å; S283-A300 PolarHBondContact N-O 2.88Å; S283-A300 PolarHBondContact O-N 2.84Å; A300-F311 HydrophobicContact CB-CD2 4.16Å |
| 301 | M | 91.5 | Very high | 89 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.7 | 169.5 | -54.8 | 177.5 | 68.4 | 0 | 0 | 109 | P49 I281 A282 Y309 S310 | P49-M301 HydrophobicContact CB-CG 3.32Å; P49-M301 HydrophobicContact CB-SD 3.58Å; P49-M301 VanDerWaalsContact CB-SD 3.58Å; P49-M301 HydrophobicContact CG-CE 3.78Å; P49-M301 HydrophobicContact CG-CG 3.59Å; P49-M301 HydrophobicContact CG-SD 3.42Å; P49-M301 WeakPolarHBondContact CG-SD 3.25Å; I281-M301 CarbonylContact O-C 3.52Å; I281-M301 WeakPolarHBondContact O-CA 3.3Å; A282-M301 HydrophobicContact CB-CG 4.38Å; M301-Y309 WeakPolarHBondContact O-CA 3.4Å; M301-S310 WeakPolarHBondContact CB-OG 3.49Å; M301-S310 PolarHBondContact N-O 2.84Å; M301-S310 PolarHBondContact O-N 2.83Å |
| 302 | C | 90.9 | Very high | 89.6 | Confident | 19 Ų | 19 | 69 Ų | 69 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 124.5 | -177.9 | 163.1 | 0 | 0 | 0 | 0 | 108.4 | N280 I281 Q304 K308 Y309 | N280-C302 CarbonylContact C-O 3.56Å; N280-C302 WeakPolarHBondContact CA-O 3.31Å; I281-C302 HydrophobicContact CB-CB 4.37Å; I281-C302 PolarHBondContact N-O 3.5Å; I281-C302 PolarHBondContact O-N 2.87Å; C302-Q304 PolarHBondContact SG-NE2 2.97Å; C302-K308 CarbonylContact C-O 3.47Å; C302-K308 WeakPolarHBondContact CA-O 3.45Å; C302-Y309 HydrophobicContact CB-CD1 3.82Å; C302-Y309 HydrophobicContact CB-CE1 4.07Å; C302-Y309 WeakPolarHBondContact SG-CE1 3.35Å |
| 303 | N | 89.9 | Confident | 90 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 106.8 | 160.6 | -174.6 | -49.9 | 0 | 0 | 0 | 108.1 | N280 V305 K306 A307 K308 | N280-N303 WeakPolarHBondContact OD1-CB 3.39Å; N280-N303 PolarHBondContact OD1-ND2 2.88Å; N303-V305 VanDerWaalsContact C-N 3.31Å; N303-V305 PolarHBondContact O-N 3.08Å; N303-V305 WeakPolarHBondContact OD1-CA 3.22Å; N303-V305 WeakPolarHBondContact OD1-CB 3.4Å; N303-V305 PolarHBondContact OD1-N 2.8Å; N303-K306 HydrophobicContact CB-CB 4.32Å; N303-K306 PolarHBondContact O-N 2.88Å; N303-K306 PolarHBondContact OD1-N 3.4Å; N303-A307 WeakPolarHBondContact O-CA 3.29Å; N303-A307 PolarHBondContact O-N 2.85Å; N303-K308 PolarHBondContact N-O 3.49Å; N303-K308 PolarHBondContact O-N 2.71Å; N303-K308 VanDerWaalsContact O-N 3.16Å |
| 304 | Q | 79.7 | Confident | 90.4 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -36.8 | -177.9 | -69 | -68.3 | -7.7 | 0 | 0 | 111.8 | G279 I281 C302 A307 Y309 | G279-Q304 PolarHBondContact O-N 2.86Å; I281-Q304 HydrophobicContact CD1-CG 4.18Å; C302-Q304 PolarHBondContact SG-NE2 2.97Å; Q304-A307 PolarHBondContact O-N 2.84Å; Q304-Y309 PolarHBondContact OE1-OH 2.79Å |
| 305 | V | 83.1 | Confident | 90.6 | Very high | 118 Ų | 118 | 62.9 Ų | 62.9 | 72% | 0.715 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -39 | -177.5 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | N303 | N303-V305 VanDerWaalsContact C-N 3.31Å; N303-V305 PolarHBondContact O-N 3.08Å; N303-V305 WeakPolarHBondContact OD1-CA 3.22Å; N303-V305 WeakPolarHBondContact OD1-CB 3.4Å; N303-V305 PolarHBondContact OD1-N 2.8Å |
| 306 | K | 86.6 | Confident | 90.7 | Very high | 148 Ų | 148 | 65.3 Ų | 65.3 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -0.1 | -178.6 | -62.2 | -180 | -177.8 | 174.4 | 0 | 113.3 | N303 K308 | N303-K306 HydrophobicContact CB-CB 4.32Å; N303-K306 PolarHBondContact O-N 2.88Å; N303-K306 PolarHBondContact OD1-N 3.4Å; K306-K308 HydrophobicContact CB-CG 4.19Å; K306-K308 PolarHBondContact O-N 3.2Å |
| 307 | A | 85.5 | Confident | 90.5 | Very high | 67 Ų | 67 | 63.8 Ų | 63.8 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N303 Q304 Y309 | N303-A307 WeakPolarHBondContact O-CA 3.29Å; N303-A307 PolarHBondContact O-N 2.85Å; Q304-A307 PolarHBondContact O-N 2.84Å; A307-Y309 HydrophobicContact CB-CE2 4.3Å |
| 308 | K | 87.6 | Confident | 89.8 | Confident | 147 Ų | 147 | 67.4 Ų | 67.4 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.3 | 177.8 | -69.9 | -168 | 177.5 | -168.7 | 0 | 109.7 | C302 N303 K306 | C302-K308 CarbonylContact C-O 3.47Å; C302-K308 WeakPolarHBondContact CA-O 3.45Å; N303-K308 PolarHBondContact N-O 3.49Å; N303-K308 PolarHBondContact O-N 2.71Å; N303-K308 VanDerWaalsContact O-N 3.16Å; K306-K308 HydrophobicContact CB-CG 4.19Å; K306-K308 PolarHBondContact O-N 3.2Å |
| 309 | Y | 88.9 | Confident | 89.6 | Confident | 144 Ų | 144 | 68.3 Ų | 68.3 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.7 | -179 | -53.7 | -87.1 | 0 | 0 | 0 | 108.6 | M301 C302 Q304 A307 | M301-Y309 WeakPolarHBondContact O-CA 3.4Å; C302-Y309 HydrophobicContact CB-CD1 3.82Å; C302-Y309 HydrophobicContact CB-CE1 4.07Å; C302-Y309 WeakPolarHBondContact SG-CE1 3.35Å; Q304-Y309 PolarHBondContact OE1-OH 2.79Å; A307-Y309 HydrophobicContact CB-CE2 4.3Å |
| 310 | S | 90.3 | Very high | 89.4 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 155.3 | 170.2 | 65.8 | 0 | 0 | 0 | 0 | 110 | E51 M301 | E51-S310 VanDerWaalsContact CD-CB 3.5Å; E51-S310 VanDerWaalsContact OE2-CB 3.26Å; E51-S310 WeakPolarHBondContact OE2-CB 3.47Å; M301-S310 WeakPolarHBondContact CB-OG 3.49Å; M301-S310 PolarHBondContact N-O 2.84Å; M301-S310 PolarHBondContact O-N 2.83Å |
| 311 | F | 91.7 | Very high | 89.2 | Confident | 103 Ų | 103 | 73.7 Ų | 73.7 | 45% | 0.452 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.6 | -175.6 | -178.4 | -103.4 | 0 | 0 | 0 | 110.1 | G52 L298 C299 A300 I313 | G52-F311 PolarHBondContact N-O 2.82Å; L298-F311 HydrophobicContact CD1-CE1 3.68Å; L298-F311 HydrophobicContact CD1-CE2 3.63Å; L298-F311 HydrophobicContact CD1-CZ 3.03Å; L298-F311 HydrophobicContact CD2-CE2 3.65Å; L298-F311 HydrophobicContact CD2-CZ 3.66Å; L298-F311 HydrophobicContact CG-CE1 4.43Å; L298-F311 HydrophobicContact CG-CE2 3.43Å; L298-F311 VanDerWaalsContact CG-CE2 3.43Å; L298-F311 HydrophobicContact CG-CZ 3.41Å; L298-F311 VanDerWaalsContact CG-CZ 3.41Å; C299-F311 CarbonylContact O-C 3.54Å; C299-F311 WeakPolarHBondContact O-CA 3.46Å; C299-F311 WeakPolarHBondContact O-CD2 2.95Å; A300-F311 HydrophobicContact CB-CD2 4.16Å; F311-I313 HydrophobicContact CD1-CG1 3.98Å; F311-I313 HydrophobicContact CE1-CD1 3.78Å; F311-I313 HydrophobicContact CE1-CG1 3.34Å; F311-I313 HydrophobicContact CZ-CG1 4.17Å |
| 312 | G | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.7 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | F50 G52 L298 C299 | F50-G312 VanDerWaalsContact O-CA 3.29Å; F50-G312 WeakPolarHBondContact O-CA 3.39Å; F50-G312 PolarHBondContact O-N 2.86Å; G52-G312 CarbonylContact O-C 3.55Å; G52-G312 VanDerWaalsContact O-CA 3.23Å; G52-G312 WeakPolarHBondContact O-CA 3.4Å; L298-G312 WeakPolarHBondContact CA-O 3.22Å; C299-G312 PolarHBondContact N-O 2.82Å; C299-G312 PolarHBondContact O-N 2.85Å |
| 313 | I | 95.1 | Very high | 88.9 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.1 | 170.6 | -54.8 | 176.5 | 0 | 0 | 0 | 107.5 | G52 G53 R54 F296 L298 F311 | G52-I313 PolarHBondContact O-N 2.89Å; G53-I313 CarbonylContact C-O 3.43Å; G53-I313 WeakPolarHBondContact CA-O 3.48Å; R54-I313 PolarHBondContact N-O 2.95Å; F296-I313 HydrophobicContact CE2-CG2 3.63Å; F296-I313 HydrophobicContact CZ-CG2 4.03Å; L298-I313 HydrophobicContact CD1-CB 4.43Å; L298-I313 HydrophobicContact CD1-CG1 3.81Å; F311-I313 HydrophobicContact CD1-CG1 3.98Å; F311-I313 HydrophobicContact CE1-CD1 3.78Å; F311-I313 HydrophobicContact CE1-CG1 3.34Å; F311-I313 HydrophobicContact CZ-CG1 4.17Å |
| 314 | G | 93.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 81.1 Ų | 81.1 | 2% | 0.021 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R54 S297 | R54-G314 CarbonylContact O-C 3.55Å; R54-G314 WeakPolarHBondContact O-CA 3.4Å; S297-G314 PolarHBondContact N-O 2.85Å; S297-G314 PolarHBondContact O-N 2.83Å; S297-G314 WeakPolarHBondContact OG-CA 3.49Å; S297-G314 PolarHBondContact OG-O 2.99Å |
| 315 | L | 94.3 | Very high | 89.5 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 33% | 0.33 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.3 | 169.5 | -174.5 | 68.6 | 0 | 0 | 0 | 108.4 | R54 L55 V56 F294 V317 | R54-L315 PolarHBondContact O-N 3.08Å; L55-L315 CarbonylContact C-O 3.53Å; L55-L315 WeakPolarHBondContact CA-O 3.34Å; L55-L315 HydrophobicContact CD1-CB 4.1Å; L55-L315 HydrophobicContact CD1-CD2 4.18Å; L55-L315 HydrophobicContact CD1-CG 4.35Å; V56-L315 PolarHBondContact N-O 2.9Å; F294-L315 HydrophobicContact CB-CD1 4.23Å; L315-V317 HydrophobicContact CD2-CG2 4.36Å; L315-V317 HydrophobicContact CG-CG2 4.37Å |
| 316 | M | 93.1 | Very high | 90 | Very high | 76 Ų | 76 | 75.8 Ų | 75.8 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.2 | 169.9 | -177.4 | -175.8 | -61.8 | 0 | 0 | 109.1 | V56 F294 T295 | V56-M316 HydrophobicContact CB-CB 4.29Å; V56-M316 HydrophobicContact CB-CG 4.08Å; V56-M316 HydrophobicContact CG1-CE 4.39Å; V56-M316 HydrophobicContact CG1-CG 4.18Å; V56-M316 CarbonylContact O-C 3.53Å; V56-M316 VanDerWaalsContact O-CA 3.25Å; V56-M316 WeakPolarHBondContact O-CA 3.42Å; F294-M316 CarbonylContact C-O 3.52Å; F294-M316 WeakPolarHBondContact CA-O 3.2Å; T295-M316 PolarHBondContact N-O 2.93Å; T295-M316 PolarHBondContact O-N 3.31Å |
| 317 | V | 90.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.2 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 107.7 | L55 V56 V57 N58 P293 F294 L315 | L55-V317 HydrophobicContact CD1-CG2 4.31Å; V56-V317 PolarHBondContact O-N 2.94Å; V57-V317 CarbonylContact C-O 3.55Å; V57-V317 VanDerWaalsContact CA-O 3.29Å; V57-V317 WeakPolarHBondContact CA-O 3.18Å; V57-V317 HydrophobicContact CG1-CB 4.35Å; V57-V317 HydrophobicContact CG2-CB 4.24Å; V57-V317 HydrophobicContact CG2-CG2 4.37Å; N58-V317 PolarHBondContact N-O 3.3Å; P293-V317 WeakPolarHBondContact O-CA 3.48Å; F294-V317 HydrophobicContact CD1-CB 4.15Å; F294-V317 HydrophobicContact CD1-CG1 3.93Å; F294-V317 HydrophobicContact CD1-CG2 3.71Å; F294-V317 HydrophobicContact CE1-CB 4.17Å; F294-V317 HydrophobicContact CE1-CG1 3.62Å; F294-V317 HydrophobicContact CE1-CG2 3.68Å; L315-V317 HydrophobicContact CD2-CG2 4.36Å; L315-V317 HydrophobicContact CG-CG2 4.37Å |
| 318 | G | 79.7 | Confident | 90.7 | Very high | 89 Ų | 89 | 70.1 Ų | 70.1 | 92% | 0.918 | 38% | 0.376 | S | S | * | . | trans | -179.7 | 0 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | N58 P293 | N58-G318 WeakPolarHBondContact O-CA 3.33Å; P293-G318 VanDerWaalsContact CB-O 3.24Å; P293-G318 WeakPolarHBondContact CB-O 3.32Å; P293-G318 PolarHBondContact O-N 3.05Å |
Retrieved 318 of 318 residues in 267.8 ms
(Link to these results)