| 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 | 39.5 | Very low | 36.2 | Very low | 235 Ų | 235 | 156.5 Ų | 156.5 | 100% | 1.158 | 80% | 0.797 | S | S | * | * | 0 | 88.3 | 0 | -65.9 | 177.1 | -179.6 | 0 | 0 | 105.7 | |||||
| 2 | V | 36.6 | Very low | 36 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | 66.5 | 111.4 | 93.4 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 3 | R | 36.4 | Very low | 36.5 | Very low | 211 Ų | 211 | 150.8 Ų | 150.8 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | -164.9 | 120.2 | 50.7 | -138.6 | 166.6 | 176.8 | 168.7 | -0.4 | 108.4 | |||||
| 4 | E | 39.3 | Very low | 36.4 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 66% | 0.659 | 81% | 0.808 | S | S | * | * | 73.3 | 118.9 | 103.7 | -62.6 | -165.8 | 156.1 | 0 | 0 | 115.9 | |||||
| 5 | Q | 37.7 | Very low | 37.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 59% | 0.589 | 81% | 0.805 | S | S | * | * | 73.3 | 132.2 | 77 | -122.1 | 170.6 | -13.9 | 0 | 0 | 110.3 | |||||
| 6 | Y | 32.6 | Very low | 37.6 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 71% | 0.71 | 81% | 0.807 | S | S | * | * | cis | -152.9 | 167 | 25.6 | -75.5 | -99.9 | 0 | 0 | 0 | 106.8 | ||||
| 7 | V | 37 | Very low | 37.9 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | -171.9 | 130.9 | 64.4 | 166 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 8 | S | 35.9 | Very low | 38.3 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -66.9 | 153.2 | 162.6 | -57.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | T | 34.3 | Very low | 38.9 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | -179.1 | 141.6 | 123.3 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 10 | T | 37 | Very low | 39.5 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 162.4 | -174 | -13.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 11 | Q | 32.4 | Very low | 39.9 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | 70.2 | 130.7 | 147.9 | -77.5 | 179.5 | -15.7 | 0 | 0 | 120.4 | ||||
| 12 | G | 32.9 | Very low | 40.5 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | 152.7 | 103.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 13 | V | 43.6 | Very low | 41 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 96% | 0.964 | 76% | 0.755 | S | S | * | * | trans | -56.7 | 139.1 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 14 | G | 35.1 | Very low | 41.7 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 178.5 | 95.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 15 | A | 46.3 | Very low | 42 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | 55.2 | 138.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | Q17 | A15-Q17 PolarHBondContact O-N 3.21Š| ||
| 16 | P | 44.6 | Very low | 42.8 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | trans | -77.8 | 118.2 | 177.8 | 31.3 | -29.3 | 0 | 0 | 0 | 110.3 | ||||
| 17 | Q | 43.6 | Very low | 43.9 | Very low | 178 Ų | 178 | 127.3 Ų | 127.3 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -90.8 | 135.9 | 159.6 | -75.7 | -156.8 | -15.2 | 0 | 0 | 109.3 | A15 V19 | A15-Q17 PolarHBondContact O-N 3.21Å; Q17-V19 PolarHBondContact O-N 2.97Å; Q17-V19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | P | 45.5 | Very low | 44.7 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -67.3 | 112 | 171.5 | 27.3 | -29.3 | 0 | 0 | 0 | 107.8 | P20 | P18-P20 VanDerWaalsContact O-CD 3.24Å; P18-P20 WeakPolarHBondContact O-CD 3.35Å | ||
| 19 | V | 49.3 | Very low | 45.7 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | -58.3 | 116.8 | 165.9 | -176.4 | 0 | 0 | 0 | 0 | 106 | Q17 D21 | Q17-V19 PolarHBondContact O-N 2.97Å; Q17-V19 VanDerWaalsContact O-N 3.08Å; V19-D21 PolarHBondContact O-N 3.21Å | ||
| 20 | P | 51 | Low | 47 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 53% | 0.532 | 71% | 0.714 | S | S | . | * | trans | -68.2 | 108 | 162.3 | 20.6 | -13.6 | 0 | 0 | 0 | 105.2 | P18 H22 | P18-P20 VanDerWaalsContact O-CD 3.24Å; P18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-H22 PolarHBondContact O-N 2.72Å | ||
| 21 | D | 47.3 | Very low | 48.3 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | -59.6 | 86.6 | 163.3 | -83.9 | -28.6 | 0 | 0 | 0 | 106.9 | V19 V23 | V19-D21 PolarHBondContact O-N 3.21Å; D21-V23 HydrophobicContact CB-CG2 4.3Å; D21-V23 PolarHBondContact O-N 3.28Å | ||
| 22 | H | 51.9 | Low | 50.4 | Low | 146 Ų | 146 | 130.9 Ų | 130.9 | 68% | 0.676 | 71% | 0.713 | S | S | * | * | trans | -70.7 | 70.5 | 159 | -57.5 | -50.7 | 0 | 0 | 0 | 106.1 | P20 Y24 | P20-H22 PolarHBondContact O-N 2.72Å; H22-Y24 PolarHBondContact O-N 3.41Å | ||
| 23 | V | 48 | Very low | 52.4 | Low | 106 Ų | 106 | 132.6 Ų | 132.6 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | trans | -50.7 | 103.1 | 151.6 | 179.5 | 0 | 0 | 0 | 0 | 103.3 | D21 K25 | D21-V23 HydrophobicContact CB-CG2 4.3Å; D21-V23 PolarHBondContact O-N 3.28Å; V23-K25 HydrophobicContact CG1-CG 4.09Å; V23-K25 PolarHBondContact O-N 3.38Å | ||
| 24 | Y | 49.5 | Very low | 54.2 | Low | 199 Ų | 199 | 133.3 Ų | 133.3 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | trans | -59.5 | 80.7 | 160.1 | -90.9 | -96.7 | 0 | 0 | 0 | 105.2 | H22 I26 | H22-Y24 PolarHBondContact O-N 3.41Å; Y24-I26 PolarHBondContact O-N 3.41Å | ||
| 25 | K | 47.5 | Very low | 56.3 | Low | 179 Ų | 179 | 134 Ų | 134 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | trans | -61.7 | 95.5 | 148.3 | -78.3 | -176 | 177.8 | 176.3 | 0 | 101.8 | V23 G27 | V23-K25 HydrophobicContact CG1-CG 4.09Å; V23-K25 PolarHBondContact O-N 3.38Å; K25-G27 PolarHBondContact O-N 3.25Å | ||
| 26 | I | 53.7 | Low | 58.2 | Low | 138 Ų | 138 | 134.4 Ų | 134.4 | 71% | 0.708 | 66% | 0.664 | S | S | * | * | trans | -60.1 | 73.1 | 151.4 | -67.8 | 105.6 | 0 | 0 | 0 | 105.3 | Y24 I28 | Y24-I26 PolarHBondContact O-N 3.41Å; I26-I28 VanDerWaalsContact C-N 3.28Å; I26-I28 HydrophobicContact CG2-CG1 4.38Å; I26-I28 PolarHBondContact O-N 3.3Å; I26-I28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | G | 56 | Low | 60.1 | Low | 43 Ų | 43 | 135.7 Ų | 135.7 | 44% | 0.443 | 65% | 0.653 | S | S | . | * | trans | -81.6 | 86.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 104.3 | K25 Y29 | K25-G27 PolarHBondContact O-N 3.25Å; G27-Y29 WeakPolarHBondContact O-CB 3.49Å; G27-Y29 PolarHBondContact O-N 2.92Å | ||
| 28 | I | 52.3 | Low | 62.3 | Low | 105 Ų | 105 | 132.6 Ų | 132.6 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | trans | -64 | 78.8 | 149.1 | -58.7 | 177 | 0 | 0 | 0 | 104.6 | I26 | I26-I28 VanDerWaalsContact C-N 3.28Å; I26-I28 HydrophobicContact CG2-CG1 4.38Å; I26-I28 PolarHBondContact O-N 3.3Å; I26-I28 VanDerWaalsContact O-N 3.15Å | ||
| 29 | Y | 57.2 | Low | 64.5 | Low | 217 Ų | 217 | 132.5 Ų | 132.5 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | trans | -93.6 | 138.5 | -162.7 | -154.1 | -98.8 | 0 | 0 | 0 | 109.5 | G27 W31 | G27-Y29 WeakPolarHBondContact O-CB 3.49Å; G27-Y29 PolarHBondContact O-N 2.92Å; Y29-W31 PolarHBondContact O-N 3.16Å | ||
| 30 | G | 62.8 | Low | 66.5 | Low | 20 Ų | 20 | 130 Ų | 130 | 21% | 0.206 | 61% | 0.614 | C | S | . | * | S | Bend | trans | 103.4 | -82.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R34 | G30-R34 WeakPolarHBondContact O-CD 3.45Å; G30-R34 WeakPolarHBondContact O-CG 3.46Å |
| 31 | W | 64.5 | Low | 68.5 | Low | 214 Ų | 214 | 131.2 Ų | 131.2 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -111.1 | -37.3 | -157.6 | -72.2 | 82.2 | 0 | 0 | 0 | 115.1 | Y29 R34 C35 | Y29-W31 PolarHBondContact O-N 3.16Å; W31-R34 PolarHBondContact O-N 2.54Å; W31-C35 VanDerWaalsContact O-CB 3.26Å; W31-C35 WeakPolarHBondContact O-CB 3.29Å; W31-C35 PolarHBondContact O-N 3.35Å |
| 32 | R | 75.1 | Confident | 70.7 | Confident | 210 Ų | 210 | 128.4 Ų | 128.4 | 79% | 0.792 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | -177 | -66.1 | -177.1 | -178.3 | 173.6 | 0.7 | 112.9 | C35 L36 | R32-C35 PolarHBondContact O-N 3.3Å; R32-L36 WeakPolarHBondContact O-CB 3.29Å; R32-L36 PolarHBondContact O-N 3.1Å |
| 33 | K | 75.8 | Confident | 72.7 | Confident | 117 Ų | 117 | 125.3 Ų | 125.3 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -42.2 | 173.8 | -73 | -171.2 | -177.5 | -174.8 | 0 | 112 | C35 L36 Y37 | K33-C35 VanDerWaalsContact C-N 3.34Å; K33-L36 PolarHBondContact O-N 3.12Å; K33-Y37 HydrophobicContact CB-CD2 4.38Å; K33-Y37 HydrophobicContact CB-CE2 4.09Å; K33-Y37 WeakPolarHBondContact O-CD2 3.39Å; K33-Y37 PolarHBondContact O-N 3.24Å |
| 34 | R | 81.8 | Confident | 75 | Confident | 174 Ų | 174 | 124.9 Ų | 124.9 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.4 | -37.5 | 176.2 | -68.8 | -178 | -176.1 | 159.8 | -1.5 | 111.9 | G30 W31 Y37 L38 | G30-R34 WeakPolarHBondContact O-CD 3.45Å; G30-R34 WeakPolarHBondContact O-CG 3.46Å; W31-R34 PolarHBondContact O-N 2.54Å; R34-Y37 PolarHBondContact O-N 3.13Å; R34-L38 VanDerWaalsContact O-CB 3.23Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 2.93Å |
| 35 | C | 79.6 | Confident | 77.2 | Confident | 85 Ų | 85 | 119.1 Ų | 119.1 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -42.8 | 172.2 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | W31 R32 K33 L38 F39 | W31-C35 VanDerWaalsContact O-CB 3.26Å; W31-C35 WeakPolarHBondContact O-CB 3.29Å; W31-C35 PolarHBondContact O-N 3.35Å; R32-C35 PolarHBondContact O-N 3.3Å; K33-C35 VanDerWaalsContact C-N 3.34Å; C35-L38 PolarHBondContact O-N 3.4Å; C35-F39 VanDerWaalsContact O-CB 3.29Å; C35-F39 WeakPolarHBondContact O-CB 3.49Å; C35-F39 PolarHBondContact O-N 3.09Å |
| 36 | L | 84.7 | Confident | 79.5 | Confident | 102 Ų | 102 | 114.4 Ų | 114.4 | 53% | 0.534 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 175.3 | -169.1 | 154 | 0 | 0 | 0 | 111.8 | R32 K33 L38 F39 V40 | R32-L36 WeakPolarHBondContact O-CB 3.29Å; R32-L36 PolarHBondContact O-N 3.1Å; K33-L36 PolarHBondContact O-N 3.12Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 2.83Å; L36-F39 PolarHBondContact O-N 2.78Å; L36-V40 HydrophobicContact CD2-CG2 3.87Å; L36-V40 WeakPolarHBondContact O-CB 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.26Å |
| 37 | Y | 85.9 | Confident | 81.5 | Confident | 157 Ų | 157 | 113.3 Ų | 113.3 | 62% | 0.616 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 175.4 | -70.3 | -60.6 | 0 | 0 | 0 | 112.3 | K33 R34 L41 | K33-Y37 HydrophobicContact CB-CD2 4.38Å; K33-Y37 HydrophobicContact CB-CE2 4.09Å; K33-Y37 WeakPolarHBondContact O-CD2 3.39Å; K33-Y37 PolarHBondContact O-N 3.24Å; R34-Y37 PolarHBondContact O-N 3.13Å; Y37-L41 WeakPolarHBondContact O-CB 3.22Å; Y37-L41 PolarHBondContact O-N 3.04Å |
| 38 | L | 88.1 | Confident | 83.4 | Confident | 112 Ų | 112 | 115.4 Ų | 115.4 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 174.1 | -171.4 | 158.6 | 0 | 0 | 0 | 110.8 | R34 C35 L36 L41 L42 | R34-L38 VanDerWaalsContact O-CB 3.23Å; R34-L38 WeakPolarHBondContact O-CB 3.4Å; R34-L38 PolarHBondContact O-N 2.93Å; C35-L38 PolarHBondContact O-N 3.4Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 2.74Å; L38-L42 VanDerWaalsContact O-CB 3.29Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 PolarHBondContact O-N 3.12Å |
| 39 | F | 91.6 | Very high | 85.5 | Confident | 120 Ų | 120 | 114.4 Ų | 114.4 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177 | -177.1 | -102.8 | 0 | 0 | 0 | 112.2 | C35 L36 L42 L43 | C35-F39 VanDerWaalsContact O-CB 3.29Å; C35-F39 WeakPolarHBondContact O-CB 3.49Å; C35-F39 PolarHBondContact O-N 3.09Å; L36-F39 PolarHBondContact O-N 2.78Å; F39-L42 PolarHBondContact O-N 2.98Å; F39-L43 HydrophobicContact CD1-CD1 3.94Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CE1-CD1 3.45Å; F39-L43 VanDerWaalsContact CE1-CD1 3.45Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CZ-CD1 3.96Å; F39-L43 HydrophobicContact CZ-CD2 4.5Å; F39-L43 HydrophobicContact CZ-CG 4.24Å; F39-L43 WeakPolarHBondContact O-CG 3.39Å; F39-L43 PolarHBondContact O-N 2.91Å |
| 40 | V | 93.1 | Very high | 87.3 | Confident | 62 Ų | 62 | 108.2 Ų | 108.2 | 38% | 0.376 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L36 L42 L43 I44 | L36-V40 HydrophobicContact CD2-CG2 3.87Å; L36-V40 WeakPolarHBondContact O-CB 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.28Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.26Å; V40-L42 VanDerWaalsContact C-N 3.35Å; V40-L43 PolarHBondContact O-N 3.22Å; V40-I44 HydrophobicContact CG1-CD1 3.93Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.42Å; V40-I44 PolarHBondContact O-N 3.46Å |
| 41 | L | 92.4 | Very high | 88.8 | Confident | 109 Ų | 109 | 113.4 Ų | 113.4 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 175.1 | -179.5 | 139.9 | 0 | 0 | 0 | 111.3 | Y37 L38 I44 V45 | Y37-L41 WeakPolarHBondContact O-CB 3.22Å; Y37-L41 PolarHBondContact O-N 3.04Å; L38-L41 PolarHBondContact O-N 2.74Å; L41-I44 PolarHBondContact O-N 2.93Å; L41-V45 HydrophobicContact CD2-CG2 4.31Å; L41-V45 VanDerWaalsContact O-CG2 3.29Å; L41-V45 WeakPolarHBondContact O-CG2 3.29Å; L41-V45 PolarHBondContact O-N 2.77Å |
| 42 | L | 94.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 105.9 Ų | 105.9 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 175.7 | -173.5 | 155.1 | 0 | 0 | 0 | 111.1 | L38 F39 V40 V45 I46 | L38-L42 VanDerWaalsContact O-CB 3.29Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 PolarHBondContact O-N 3.12Å; F39-L42 PolarHBondContact O-N 2.98Å; V40-L42 VanDerWaalsContact C-N 3.35Å; L42-V45 PolarHBondContact O-N 2.79Å; L42-I46 HydrophobicContact CD2-CD1 3.43Å; L42-I46 VanDerWaalsContact CD2-CD1 3.43Å; L42-I46 HydrophobicContact CD2-CG1 4.14Å; L42-I46 WeakPolarHBondContact O-CG1 3.47Å; L42-I46 PolarHBondContact O-N 2.8Å |
| 43 | L | 93.8 | Very high | 91.1 | Very high | 82 Ų | 82 | 99.9 Ų | 99.9 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 174.1 | -76.5 | 178.2 | 0 | 0 | 0 | 112.4 | F39 V40 V45 I46 L47 | F39-L43 HydrophobicContact CD1-CD1 3.94Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CE1-CD1 3.45Å; F39-L43 VanDerWaalsContact CE1-CD1 3.45Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CZ-CD1 3.96Å; F39-L43 HydrophobicContact CZ-CD2 4.5Å; F39-L43 HydrophobicContact CZ-CG 4.24Å; F39-L43 WeakPolarHBondContact O-CG 3.39Å; F39-L43 PolarHBondContact O-N 2.91Å; V40-L43 PolarHBondContact O-N 3.22Å; L43-V45 VanDerWaalsContact C-N 3.34Å; L43-I46 PolarHBondContact O-N 3.06Å; L43-L47 WeakPolarHBondContact O-CB 3.36Å; L43-L47 PolarHBondContact O-N 2.97Å |
| 44 | I | 95.8 | Very high | 91.8 | Very high | 97 Ų | 97 | 97.6 Ų | 97.6 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.3 | -69.6 | 166.4 | 0 | 0 | 0 | 110.3 | V40 L41 L47 V48 | V40-I44 HydrophobicContact CG1-CD1 3.93Å; V40-I44 VanDerWaalsContact O-CG1 3.28Å; V40-I44 WeakPolarHBondContact O-CG1 3.42Å; V40-I44 PolarHBondContact O-N 3.46Å; L41-I44 PolarHBondContact O-N 2.93Å; I44-L47 WeakPolarHBondContact O-CB 3.47Å; I44-L47 PolarHBondContact O-N 3.22Å; I44-V48 HydrophobicContact CG2-CG2 4.32Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.5Å; I44-V48 PolarHBondContact O-N 2.85Å |
| 45 | V | 96.3 | Very high | 92.1 | Very high | 78 Ų | 78 | 93.4 Ų | 93.4 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L41 L42 L43 L47 V48 V49 | L41-V45 HydrophobicContact CD2-CG2 4.31Å; L41-V45 VanDerWaalsContact O-CG2 3.29Å; L41-V45 WeakPolarHBondContact O-CG2 3.29Å; L41-V45 PolarHBondContact O-N 2.77Å; L42-V45 PolarHBondContact O-N 2.79Å; L43-V45 VanDerWaalsContact C-N 3.34Å; V45-L47 VanDerWaalsContact C-N 3.31Å; V45-L47 PolarHBondContact O-N 3.09Å; V45-V48 PolarHBondContact O-N 2.75Å; V45-V49 HydrophobicContact CG1-CG2 4.32Å; V45-V49 WeakPolarHBondContact O-CB 3.27Å; V45-V49 VanDerWaalsContact O-CG2 3.27Å; V45-V49 WeakPolarHBondContact O-CG2 3.05Å; V45-V49 PolarHBondContact O-N 3.37Å |
| 46 | I | 94.9 | Very high | 92.6 | Very high | 80 Ų | 80 | 97 Ų | 97 | 41% | 0.41 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.3 | -70.3 | 176.8 | 0 | 0 | 0 | 110.8 | L42 L43 V49 N50 | L42-I46 HydrophobicContact CD2-CD1 3.43Å; L42-I46 VanDerWaalsContact CD2-CD1 3.43Å; L42-I46 HydrophobicContact CD2-CG1 4.14Å; L42-I46 WeakPolarHBondContact O-CG1 3.47Å; L42-I46 PolarHBondContact O-N 2.8Å; L43-I46 PolarHBondContact O-N 3.06Å; I46-V49 PolarHBondContact O-N 3.11Å; I46-N50 VanDerWaalsContact CG2-ND2 3.32Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.44Å; I46-N50 VanDerWaalsContact O-CB 3.29Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 VanDerWaalsContact O-CG 3.23Å; I46-N50 PolarHBondContact O-N 3.5Å; I46-N50 PolarHBondContact O-ND2 3.21Å |
| 47 | L | 95.9 | Very high | 92.7 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -48.8 | 177.2 | -173.1 | 162.3 | 0 | 0 | 0 | 111 | L43 I44 V45 N50 F51 | L43-L47 WeakPolarHBondContact O-CB 3.36Å; L43-L47 PolarHBondContact O-N 2.97Å; I44-L47 WeakPolarHBondContact O-CB 3.47Å; I44-L47 PolarHBondContact O-N 3.22Å; V45-L47 VanDerWaalsContact C-N 3.31Å; V45-L47 PolarHBondContact O-N 3.09Å; L47-N50 PolarHBondContact O-N 2.8Å; L47-F51 VanDerWaalsContact O-CB 3.29Å; L47-F51 WeakPolarHBondContact O-CB 3.47Å; L47-F51 PolarHBondContact O-N 2.79Å |
| 48 | V | 96.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 92.6 Ų | 92.6 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 180 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I44 V45 F51 A52 | I44-V48 HydrophobicContact CG2-CG2 4.32Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.5Å; I44-V48 PolarHBondContact O-N 2.85Å; V45-V48 PolarHBondContact O-N 2.75Å; V48-F51 PolarHBondContact O-N 2.79Å; V48-A52 WeakPolarHBondContact O-CB 3.34Å; V48-A52 PolarHBondContact O-N 2.79Å |
| 49 | V | 96.4 | Very high | 92.2 | Very high | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V45 I46 F51 A52 L53 | V45-V49 HydrophobicContact CG1-CG2 4.32Å; V45-V49 WeakPolarHBondContact O-CB 3.27Å; V45-V49 VanDerWaalsContact O-CG2 3.27Å; V45-V49 WeakPolarHBondContact O-CG2 3.05Å; V45-V49 PolarHBondContact O-N 3.37Å; I46-V49 PolarHBondContact O-N 3.11Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 2.86Å; V49-A52 PolarHBondContact O-N 3.17Å; V49-L53 VanDerWaalsContact O-CB 3.29Å; V49-L53 WeakPolarHBondContact O-CB 3.36Å; V49-L53 PolarHBondContact O-N 3.49Å |
| 50 | N | 94 | Very high | 91.8 | Very high | 86 Ų | 86 | 95.2 Ų | 95.2 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 177.1 | -75.3 | -29.6 | 0 | 0 | 0 | 111.5 | I46 L47 L53 T54 | I46-N50 VanDerWaalsContact CG2-ND2 3.32Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.44Å; I46-N50 VanDerWaalsContact O-CB 3.29Å; I46-N50 WeakPolarHBondContact O-CB 3.47Å; I46-N50 VanDerWaalsContact O-CG 3.23Å; I46-N50 PolarHBondContact O-N 3.5Å; I46-N50 PolarHBondContact O-ND2 3.21Å; L47-N50 PolarHBondContact O-N 2.8Å; N50-L53 PolarHBondContact O-N 3.28Å; N50-T54 WeakPolarHBondContact O-CG2 3.19Å; N50-T54 PolarHBondContact O-N 3.2Å; N50-T54 PolarHBondContact O-OG1 2.84Å |
| 51 | F | 95.1 | Very high | 90.8 | Very high | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.6 | -39.2 | 177.3 | -171.8 | -103.6 | 0 | 0 | 0 | 112.6 | L47 V48 V49 L53 T54 I55 | L47-F51 VanDerWaalsContact O-CB 3.29Å; L47-F51 WeakPolarHBondContact O-CB 3.47Å; L47-F51 PolarHBondContact O-N 2.79Å; V48-F51 PolarHBondContact O-N 2.79Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 2.86Å; F51-L53 VanDerWaalsContact C-N 3.35Å; F51-T54 WeakPolarHBondContact CA-OG1 3.17Å; F51-T54 PolarHBondContact O-N 2.77Å; F51-T54 PolarHBondContact O-OG1 2.85Å; F51-I55 HydrophobicContact CD1-CD1 3.74Å; F51-I55 HydrophobicContact CE1-CD1 3.29Å; F51-I55 HydrophobicContact CE1-CG1 4.33Å; F51-I55 HydrophobicContact CZ-CD1 3.74Å; F51-I55 HydrophobicContact CZ-CG1 4.46Å; F51-I55 WeakPolarHBondContact O-CG1 3.39Å; F51-I55 PolarHBondContact O-N 3.24Å; F51-I55 VanDerWaalsContact O-N 3.07Å |
| 52 | A | 94.1 | Very high | 89.6 | Confident | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | V48 V49 I55 W56 | V48-A52 WeakPolarHBondContact O-CB 3.34Å; V48-A52 PolarHBondContact O-N 2.79Å; V49-A52 PolarHBondContact O-N 3.17Å; A52-I55 PolarHBondContact O-N 3.49Å; A52-W56 WeakPolarHBondContact O-CB 3.03Å; A52-W56 PolarHBondContact O-N 2.82Å |
| 53 | L | 93.6 | Very high | 88.2 | Confident | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176 | -168.4 | 88.1 | 0 | 0 | 0 | 111.3 | V49 N50 F51 W56 I57 | V49-L53 VanDerWaalsContact O-CB 3.29Å; V49-L53 WeakPolarHBondContact O-CB 3.36Å; V49-L53 PolarHBondContact O-N 3.49Å; N50-L53 PolarHBondContact O-N 3.28Å; F51-L53 VanDerWaalsContact C-N 3.35Å; L53-W56 HydrophobicContact CD1-CE3 4.34Å; L53-W56 PolarHBondContact O-N 3.32Å; L53-I57 HydrophobicContact CD2-CD1 4.11Å; L53-I57 HydrophobicContact CG-CD1 4.01Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.36Å |
| 54 | T | 89.9 | Confident | 86.8 | Confident | 69 Ų | 69 | 103.2 Ų | 103.2 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | N50 F51 W56 I57 L58 | N50-T54 WeakPolarHBondContact O-CG2 3.19Å; N50-T54 PolarHBondContact O-N 3.2Å; N50-T54 PolarHBondContact O-OG1 2.84Å; F51-T54 WeakPolarHBondContact CA-OG1 3.17Å; F51-T54 PolarHBondContact O-N 2.77Å; F51-T54 PolarHBondContact O-OG1 2.85Å; T54-W56 VanDerWaalsContact C-N 3.28Å; T54-W56 PolarHBondContact O-N 2.96Å; T54-I57 PolarHBondContact O-N 3.25Å; T54-L58 WeakPolarHBondContact O-CB 3.19Å; T54-L58 VanDerWaalsContact O-CG 3.24Å; T54-L58 WeakPolarHBondContact O-CG 3.23Å; T54-L58 PolarHBondContact O-N 3.29Å |
| 55 | I | 88.8 | Confident | 85.3 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.6 | -69.6 | 171.9 | 0 | 0 | 0 | 110.9 | F51 A52 L58 R59 | F51-I55 HydrophobicContact CD1-CD1 3.74Å; F51-I55 HydrophobicContact CE1-CD1 3.29Å; F51-I55 HydrophobicContact CE1-CG1 4.33Å; F51-I55 HydrophobicContact CZ-CD1 3.74Å; F51-I55 HydrophobicContact CZ-CG1 4.46Å; F51-I55 WeakPolarHBondContact O-CG1 3.39Å; F51-I55 PolarHBondContact O-N 3.24Å; F51-I55 VanDerWaalsContact O-N 3.07Å; A52-I55 PolarHBondContact O-N 3.49Å; I55-L58 PolarHBondContact O-N 3Å; I55-R59 WeakPolarHBondContact O-CB 3.35Å; I55-R59 PolarHBondContact O-N 3.33Å |
| 56 | W | 89.6 | Confident | 83.6 | Confident | 161 Ų | 161 | 106.2 Ų | 106.2 | 61% | 0.61 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -45.4 | 178.1 | -179.6 | 67.3 | 0 | 0 | 0 | 112.2 | A52 L53 T54 L58 R59 V60 | A52-W56 WeakPolarHBondContact O-CB 3.03Å; A52-W56 PolarHBondContact O-N 2.82Å; L53-W56 HydrophobicContact CD1-CE3 4.34Å; L53-W56 PolarHBondContact O-N 3.32Å; T54-W56 VanDerWaalsContact C-N 3.28Å; T54-W56 PolarHBondContact O-N 2.96Å; W56-L58 PolarHBondContact O-N 2.69Å; W56-R59 PolarHBondContact O-N 2.58Å; W56-V60 HydrophobicContact CD2-CG2 4.24Å; W56-V60 HydrophobicContact CG-CG2 4.46Å; W56-V60 HydrophobicContact CZ2-CG2 4.11Å; W56-V60 WeakPolarHBondContact O-CG2 3.38Å; W56-V60 PolarHBondContact O-N 3.35Å |
| 57 | I | 87.5 | Confident | 82 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.7 | -69.5 | 165.7 | 0 | 0 | 0 | 110.3 | L53 T54 R59 V60 M61 | L53-I57 HydrophobicContact CD2-CD1 4.11Å; L53-I57 HydrophobicContact CG-CD1 4.01Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.36Å; T54-I57 PolarHBondContact O-N 3.25Å; I57-R59 VanDerWaalsContact C-N 3.27Å; I57-R59 PolarHBondContact O-N 3.15Å; I57-V60 PolarHBondContact O-N 3.22Å; I57-M61 HydrophobicContact CG2-CG 3.97Å; I57-M61 WeakPolarHBondContact O-CB 3.29Å; I57-M61 WeakPolarHBondContact O-CG 3.15Å; I57-M61 PolarHBondContact O-N 2.68Å |
| 58 | L | 82.1 | Confident | 80.5 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 178.3 | -71.7 | 172.6 | 0 | 0 | 0 | 111.9 | T54 I55 W56 W62 F63 | T54-L58 WeakPolarHBondContact O-CB 3.19Å; T54-L58 VanDerWaalsContact O-CG 3.24Å; T54-L58 WeakPolarHBondContact O-CG 3.23Å; T54-L58 PolarHBondContact O-N 3.29Å; I55-L58 PolarHBondContact O-N 3Å; W56-L58 PolarHBondContact O-N 2.69Å; L58-W62 PolarHBondContact O-N 3.22Å; L58-F63 HydrophobicContact CD2-CB 4.16Å; L58-F63 HydrophobicContact CD2-CD2 3.73Å; L58-F63 HydrophobicContact CD2-CE2 4.44Å; L58-F63 HydrophobicContact CD2-CG 4.16Å; L58-F63 PolarHBondContact O-N 3.37Å; L58-F63 VanDerWaalsContact O-N 3.16Å |
| 59 | R | 81.1 | Confident | 79.2 | Confident | 205 Ų | 205 | 101.8 Ų | 101.8 | 77% | 0.774 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.2 | -42.8 | 177.1 | -171.7 | -179 | -177.2 | 167.2 | 2.5 | 112.9 | I55 W56 I57 W62 | I55-R59 WeakPolarHBondContact O-CB 3.35Å; I55-R59 PolarHBondContact O-N 3.33Å; W56-R59 PolarHBondContact O-N 2.58Å; I57-R59 VanDerWaalsContact C-N 3.27Å; I57-R59 PolarHBondContact O-N 3.15Å; R59-W62 PolarHBondContact O-N 2.74Å |
| 60 | V | 81.9 | Confident | 78.1 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.6 | -35.3 | 179.5 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | W56 I57 W62 | W56-V60 HydrophobicContact CD2-CG2 4.24Å; W56-V60 HydrophobicContact CG-CG2 4.46Å; W56-V60 HydrophobicContact CZ2-CG2 4.11Å; W56-V60 WeakPolarHBondContact O-CG2 3.38Å; W56-V60 PolarHBondContact O-N 3.35Å; I57-V60 PolarHBondContact O-N 3.22Å; V60-W62 PolarHBondContact O-N 3.21Å |
| 61 | M | 72.4 | Confident | 77.3 | Confident | 106 Ų | 106 | 99.8 Ų | 99.8 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 5.8 | 177.8 | -69.4 | -88.4 | -65.5 | 0 | 0 | 113.4 | I57 F63 | I57-M61 HydrophobicContact CG2-CG 3.97Å; I57-M61 WeakPolarHBondContact O-CB 3.29Å; I57-M61 WeakPolarHBondContact O-CG 3.15Å; I57-M61 PolarHBondContact O-N 2.68Å; M61-F63 HydrophobicContact CB-CD2 3.38Å; M61-F63 HydrophobicContact CB-CE2 3.38Å; M61-F63 HydrophobicContact CB-CG 4.42Å; M61-F63 HydrophobicContact CB-CZ 4.42Å; M61-F63 HydrophobicContact CE-CE2 3.46Å; M61-F63 VanDerWaalsContact CE-CE2 3.46Å; M61-F63 HydrophobicContact CE-CZ 3.69Å; M61-F63 HydrophobicContact CG-CD2 4.32Å; M61-F63 HydrophobicContact CG-CE2 3.94Å; M61-F63 PolarHBondContact O-N 2.84Å; M61-F63 VanDerWaalsContact O-N 3.12Å |
| 62 | W | 67.4 | Low | 76.5 | Confident | 198 Ų | 198 | 96 Ų | 96 | 75% | 0.75 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 36.8 | -179 | -65.2 | 77.4 | 0 | 0 | 0 | 113.2 | L58 R59 V60 N64 G69 | L58-W62 PolarHBondContact O-N 3.22Å; R59-W62 PolarHBondContact O-N 2.74Å; V60-W62 PolarHBondContact O-N 3.21Å; W62-N64 PolarHBondContact O-N 2.86Å; W62-N64 VanDerWaalsContact O-N 3.15Å; W62-G69 PolarHBondContact O-N 2.82Å |
| 63 | F | 65.9 | Low | 75.8 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 35% | 0.346 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 105.9 | 171.8 | -76.1 | -68.7 | 0 | 0 | 0 | 108.6 | L58 M61 M68 | L58-F63 HydrophobicContact CD2-CB 4.16Å; L58-F63 HydrophobicContact CD2-CD2 3.73Å; L58-F63 HydrophobicContact CD2-CE2 4.44Å; L58-F63 HydrophobicContact CD2-CG 4.16Å; L58-F63 PolarHBondContact O-N 3.37Å; L58-F63 VanDerWaalsContact O-N 3.16Å; M61-F63 HydrophobicContact CB-CD2 3.38Å; M61-F63 HydrophobicContact CB-CE2 3.38Å; M61-F63 HydrophobicContact CB-CG 4.42Å; M61-F63 HydrophobicContact CB-CZ 4.42Å; M61-F63 HydrophobicContact CE-CE2 3.46Å; M61-F63 VanDerWaalsContact CE-CE2 3.46Å; M61-F63 HydrophobicContact CE-CZ 3.69Å; M61-F63 HydrophobicContact CG-CD2 4.32Å; M61-F63 HydrophobicContact CG-CE2 3.94Å; M61-F63 PolarHBondContact O-N 2.84Å; M61-F63 VanDerWaalsContact O-N 3.12Å; F63-M68 HydrophobicContact CD1-CB 4.22Å; F63-M68 HydrophobicContact CD1-CG 4.06Å; F63-M68 HydrophobicContact CE1-CB 3.94Å; F63-M68 HydrophobicContact CE1-CE 3.89Å; F63-M68 HydrophobicContact CE1-CG 3.42Å; F63-M68 VanDerWaalsContact CE1-CG 3.42Å; F63-M68 HydrophobicContact CE1-SD 3.9Å; F63-M68 HydrophobicContact CZ-CG 4.1Å; F63-M68 HydrophobicContact CZ-SD 4.24Å |
| 64 | N | 63 | Low | 75.2 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 163.1 | 173.2 | -147.8 | 0.3 | 0 | 0 | 0 | 109.6 | W62 E66 G67 | W62-N64 PolarHBondContact O-N 2.86Å; W62-N64 VanDerWaalsContact O-N 3.15Å; N64-E66 PolarHBondContact O-N 2.92Å; N64-G67 PolarHBondContact N-O 2.89Å; N64-G67 VanDerWaalsContact N-O 3.14Å; N64-G67 PolarHBondContact O-N 3.12Å |
| 65 | A | 64.6 | Low | 74.7 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 89% | 0.893 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 66 | E | 61.6 | Low | 74.2 | Confident | 130 Ų | 130 | 104.3 Ų | 104.3 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -14.5 | -177.2 | -64.7 | 173.7 | 171.3 | 0 | 0 | 113.9 | N64 | N64-E66 PolarHBondContact O-N 2.92Š|
| 67 | G | 60.3 | Low | 73.8 | Confident | 19 Ų | 19 | 98.3 Ų | 98.3 | 20% | 0.196 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | N64 | N64-G67 PolarHBondContact N-O 2.89Å; N64-G67 VanDerWaalsContact N-O 3.14Å; N64-G67 PolarHBondContact O-N 3.12Å |
| 68 | M | 64.9 | Low | 73.7 | Confident | 132 Ų | 132 | 99.3 Ų | 99.3 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 104.1 | 176.1 | -176.7 | 179.9 | -34.8 | 0 | 0 | 109 | F63 | F63-M68 HydrophobicContact CD1-CB 4.22Å; F63-M68 HydrophobicContact CD1-CG 4.06Å; F63-M68 HydrophobicContact CE1-CB 3.94Å; F63-M68 HydrophobicContact CE1-CE 3.89Å; F63-M68 HydrophobicContact CE1-CG 3.42Å; F63-M68 VanDerWaalsContact CE1-CG 3.42Å; F63-M68 HydrophobicContact CE1-SD 3.9Å; F63-M68 HydrophobicContact CZ-CG 4.1Å; F63-M68 HydrophobicContact CZ-SD 4.24Å |
| 69 | G | 69 | Low | 73.8 | Confident | 37 Ų | 37 | 99.4 Ų | 99.4 | 38% | 0.381 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -151.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | W62 L71 | W62-G69 PolarHBondContact O-N 2.82Å; G69-L71 PolarHBondContact O-N 3.35Å |
| 70 | L | 73.6 | Confident | 73.9 | Confident | 85 Ų | 85 | 92.8 Ų | 92.8 | 45% | 0.445 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.7 | -177.6 | -61.3 | 171.6 | 0 | 0 | 0 | 113.2 | Q72 L80 E82 E84 | L70-Q72 PolarHBondContact O-N 3.33Å; L70-L80 HydrophobicContact CB-CD1 3.68Å; L70-L80 WeakPolarHBondContact O-CD1 3.25Å; L70-E82 WeakPolarHBondContact CB-O 3.43Å; L70-E82 WeakPolarHBondContact CD2-O 3.41Å; L70-E84 WeakPolarHBondContact CD1-O 3.3Å |
| 71 | L | 76.4 | Confident | 73.7 | Confident | 45 Ų | 45 | 91 Ų | 91 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 103.5 | -177.9 | -153.1 | 85.6 | 0 | 0 | 0 | 109.3 | G69 V78 L80 F87 | G69-L71 PolarHBondContact O-N 3.35Å; L71-V78 HydrophobicContact CD1-CG1 3.94Å; L71-V78 HydrophobicContact CD2-CG1 3.21Å; L71-V78 HydrophobicContact CG-CG1 3.29Å; L71-L80 HydrophobicContact CD1-CB 4.2Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L71-F87 HydrophobicContact CD1-CZ 4Å; L71-F87 HydrophobicContact CD2-CE1 4.14Å; L71-F87 HydrophobicContact CD2-CZ 4.27Å |
| 72 | Q | 78.1 | Confident | 73.8 | Confident | 51 Ų | 51 | 93.4 Ų | 93.4 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 140.8 | -178.7 | -60.1 | -169.1 | 7.5 | 0 | 0 | 110.9 | L70 K79 | L70-Q72 PolarHBondContact O-N 3.33Å; Q72-K79 PolarHBondContact N-O 3.15Å; Q72-K79 PolarHBondContact O-N 3.32Å |
| 73 | V | 80.6 | Confident | 74.3 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 106.6 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 74 | H | 80.1 | Confident | 75.1 | Confident | 73 Ų | 73 | 91.2 Ų | 91.2 | 34% | 0.338 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 160.3 | 172.5 | -71.9 | -68.2 | 0 | 0 | 0 | 110.6 | D76 G77 D81 | H74-D76 PolarHBondContact O-N 2.86Å; H74-G77 CarbonylContact C-O 3.51Å; H74-G77 WeakPolarHBondContact CA-O 3.4Å; H74-G77 PolarHBondContact N-O 3.11Å; H74-G77 PolarHBondContact O-N 3.16Å; H74-G77 VanDerWaalsContact O-N 3.09Å; H74-D81 IonicContact NE2-OD2 3.74Å |
| 75 | P | 79.5 | Confident | 76 | Confident | 129 Ų | 129 | 87.6 Ų | 87.6 | 84% | 0.838 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.3 | 174.1 | 21.5 | -32.2 | 0 | 0 | 0 | 113.2 | ||
| 76 | D | 78.9 | Confident | 77 | Confident | 162 Ų | 162 | 91.1 Ų | 91.1 | 87% | 0.866 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.7 | 179.5 | -56.1 | -41.5 | 0 | 0 | 0 | 113.4 | H74 | H74-D76 PolarHBondContact O-N 2.86Š|
| 77 | G | 82.1 | Confident | 78.1 | Confident | 34 Ų | 34 | 90.5 Ų | 90.5 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.4 | -161.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H74 | H74-G77 CarbonylContact C-O 3.51Å; H74-G77 WeakPolarHBondContact CA-O 3.4Å; H74-G77 PolarHBondContact N-O 3.11Å; H74-G77 PolarHBondContact O-N 3.16Å; H74-G77 VanDerWaalsContact O-N 3.09Å |
| 78 | V | 84.6 | Confident | 79.2 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 58% | 0.582 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.8 | -176.6 | 179.6 | 0 | 0 | 0 | 0 | 109 | L71 | L71-V78 HydrophobicContact CD1-CG1 3.94Å; L71-V78 HydrophobicContact CD2-CG1 3.21Å; L71-V78 HydrophobicContact CG-CG1 3.29Å |
| 79 | K | 84.3 | Confident | 80.3 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.6 | -173.3 | -163.5 | -174.9 | -177 | -150.2 | 0 | 111.2 | Q72 D81 | Q72-K79 PolarHBondContact N-O 3.15Å; Q72-K79 PolarHBondContact O-N 3.32Å; K79-D81 WeakPolarHBondContact CD-OD1 3.47Å; K79-D81 WeakPolarHBondContact CE-OD1 3.47Å; K79-D81 IonicContact NZ-OD1 3.76Å; K79-D81 PolarHBondContact NZ-OD1 2.82Å; K79-D81 IonicContact NZ-OD2 2.69Å |
| 80 | L | 83.7 | Confident | 81.2 | Confident | 67 Ų | 67 | 101.9 Ų | 101.9 | 35% | 0.351 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 104.4 | 171 | -174 | 62.1 | 0 | 0 | 0 | 108 | L70 L71 G83 | L70-L80 HydrophobicContact CB-CD1 3.68Å; L70-L80 WeakPolarHBondContact O-CD1 3.25Å; L71-L80 HydrophobicContact CD1-CB 4.2Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L80-G83 WeakPolarHBondContact CD2-O 3.47Å |
| 81 | D | 76.3 | Confident | 81.9 | Confident | 44 Ų | 44 | 102.1 Ų | 102.1 | 24% | 0.235 | 55% | 0.553 | C | S | . | * | trans | -85 | -40.6 | -177.5 | -83.6 | -44.6 | 0 | 0 | 0 | 112.9 | H74 K79 R99 | H74-D81 IonicContact NE2-OD2 3.74Å; K79-D81 WeakPolarHBondContact CD-OD1 3.47Å; K79-D81 WeakPolarHBondContact CE-OD1 3.47Å; K79-D81 IonicContact NZ-OD1 3.76Å; K79-D81 PolarHBondContact NZ-OD1 2.82Å; K79-D81 IonicContact NZ-OD2 2.69Å; D81-R99 PolarHBondContact O-NH2 2.87Å; D81-R99 IonicContact OD1-NH2 3.79Å | ||
| 82 | E | 74.9 | Confident | 82.4 | Confident | 158 Ų | 158 | 107.7 Ų | 107.7 | 74% | 0.738 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -141.4 | 135.1 | -177.9 | -65.4 | -175.7 | 178.5 | 0 | 0 | 110.9 | L70 | L70-E82 WeakPolarHBondContact CB-O 3.43Å; L70-E82 WeakPolarHBondContact CD2-O 3.41Å |
| 83 | G | 78.3 | Confident | 82.9 | Confident | 57 Ų | 57 | 108.1 Ų | 108.1 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 87.3 | -165.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L80 | L80-G83 WeakPolarHBondContact CD2-O 3.47Š|
| 84 | E | 82.2 | Confident | 83.1 | Confident | 174 Ų | 174 | 112.3 Ų | 112.3 | 81% | 0.813 | 60% | 0.597 | S | S | * | * | trans | -111.8 | 140 | -176.5 | -64.2 | 178 | 178.5 | 0 | 0 | 109.5 | L70 | L70-E84 WeakPolarHBondContact CD1-O 3.3Š| ||
| 85 | S | 82.8 | Confident | 83.4 | Confident | 41 Ų | 41 | 116.1 Ų | 116.1 | 29% | 0.287 | 62% | 0.615 | S | S | . | * | trans | -116.8 | 127.3 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 86 | E | 84.8 | Confident | 83.7 | Confident | 183 Ų | 183 | 115.3 Ų | 115.3 | 86% | 0.855 | 60% | 0.603 | S | S | * | * | trans | -96.7 | 135.7 | 176 | -65.4 | -175.8 | 175.4 | 0 | 0 | 110.5 | ||||
| 87 | F | 84.4 | Confident | 84.1 | Confident | 117 Ų | 117 | 114.9 Ų | 114.9 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | trans | -117.7 | 121.9 | 178.4 | -61.3 | -83.6 | 0 | 0 | 0 | 109.8 | L71 V91 | L71-F87 HydrophobicContact CD1-CZ 4Å; L71-F87 HydrophobicContact CD2-CE1 4.14Å; L71-F87 HydrophobicContact CD2-CZ 4.27Å; F87-V91 HydrophobicContact CB-CG2 3.93Å; F87-V91 HydrophobicContact CD1-CG2 3.45Å; F87-V91 VanDerWaalsContact CD1-CG2 3.45Å; F87-V91 HydrophobicContact CD2-CG2 3.99Å; F87-V91 HydrophobicContact CE1-CG2 3.88Å; F87-V91 HydrophobicContact CE2-CG2 4.37Å; F87-V91 HydrophobicContact CG-CG2 3.5Å; F87-V91 HydrophobicContact CZ-CG2 4.31Å | ||
| 88 | L | 84.8 | Confident | 84.3 | Confident | 164 Ų | 164 | 115.3 Ų | 115.3 | 86% | 0.859 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -79.5 | -22.4 | 175.4 | -63.5 | 175.6 | 0 | 0 | 0 | 112.7 | ||
| 89 | F | 86.4 | Confident | 84.2 | Confident | 168 Ų | 168 | 117.5 Ų | 117.5 | 74% | 0.737 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -124.3 | 158.1 | -175.8 | -64.1 | -73 | 0 | 0 | 0 | 111 | V91 | F89-V91 PolarHBondContact O-N 2.82Š|
| 90 | P | 87.5 | Confident | 83.9 | Confident | 95 Ų | 95 | 122.3 Ų | 122.3 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | trans | -57.1 | 131.8 | 177.4 | -23.1 | 33.2 | 0 | 0 | 0 | 111.9 | Y92 | P90-Y92 HydrophobicContact CB-CE2 3.97Å; P90-Y92 WeakPolarHBondContact O-CD2 3.36Å; P90-Y92 WeakPolarHBondContact O-CE2 3.41Å | ||
| 91 | V | 88.3 | Confident | 83.7 | Confident | 90 Ų | 90 | 126.7 Ų | 126.7 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | trans | -89 | 130.5 | 175 | -178.5 | 0 | 0 | 0 | 0 | 109 | F87 F89 | F87-V91 HydrophobicContact CB-CG2 3.93Å; F87-V91 HydrophobicContact CD1-CG2 3.45Å; F87-V91 VanDerWaalsContact CD1-CG2 3.45Å; F87-V91 HydrophobicContact CD2-CG2 3.99Å; F87-V91 HydrophobicContact CE1-CG2 3.88Å; F87-V91 HydrophobicContact CE2-CG2 4.37Å; F87-V91 HydrophobicContact CG-CG2 3.5Å; F87-V91 HydrophobicContact CZ-CG2 4.31Å; F89-V91 PolarHBondContact O-N 2.82Å | ||
| 92 | Y | 87.6 | Confident | 84 | Confident | 162 Ų | 162 | 127.8 Ų | 127.8 | 64% | 0.635 | 65% | 0.647 | S | S | * | * | trans | -111.2 | 119.5 | 175.4 | -62.8 | -90 | 0 | 0 | 0 | 108.4 | P90 R117 | P90-Y92 HydrophobicContact CB-CE2 3.97Å; P90-Y92 WeakPolarHBondContact O-CD2 3.36Å; P90-Y92 WeakPolarHBondContact O-CE2 3.41Å; Y92-R117 PolarHBondContact OH-NH2 3.09Å | ||
| 93 | A | 88 | Confident | 84.4 | Confident | 60 Ų | 60 | 125.3 Ų | 125.3 | 50% | 0.496 | 65% | 0.645 | S | S | . | * | trans | -139.5 | 148.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109 | I96 | A93-I96 HydrophobicContact CB-CD1 4.44Å; A93-I96 HydrophobicContact CB-CG1 3.87Å | ||
| 94 | Q | 85.3 | Confident | 84.9 | Confident | 193 Ų | 193 | 127.4 Ų | 127.4 | 90% | 0.902 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -73.7 | -42.7 | 172.8 | -174.5 | 176.1 | -0.2 | 0 | 0 | 110.4 | ||
| 95 | E | 85.8 | Confident | 85.1 | Confident | 152 Ų | 152 | 124.6 Ų | 124.6 | 71% | 0.71 | 64% | 0.636 | S | S | * | * | trans | -135.9 | 142.1 | 179.9 | -66.5 | 179 | -170.6 | 0 | 0 | 109.4 | ||||
| 96 | I | 87.8 | Confident | 85.4 | Confident | 113 Ų | 113 | 127 Ų | 127 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | trans | -127.5 | 114.5 | 175 | -54 | 174 | 0 | 0 | 0 | 106.1 | A93 L104 | A93-I96 HydrophobicContact CB-CD1 4.44Å; A93-I96 HydrophobicContact CB-CG1 3.87Å; I96-L104 HydrophobicContact CG2-CD1 4.35Å; I96-L104 HydrophobicContact CG2-CD2 3.57Å | ||
| 97 | H | 86 | Confident | 85.5 | Confident | 152 Ų | 152 | 126.8 Ų | 126.8 | 70% | 0.704 | 65% | 0.648 | S | S | * | * | trans | -120 | 144.3 | 178.2 | 57.6 | -92.1 | 0 | 0 | 0 | 109.7 | ||||
| 98 | S | 87 | Confident | 85.6 | Confident | 44 Ų | 44 | 123.9 Ų | 123.9 | 31% | 0.308 | 64% | 0.642 | S | S | . | * | trans | -87.5 | 167.3 | 166.8 | -155.7 | 0 | 0 | 0 | 0 | 110.1 | T102 L104 | S98-T102 WeakPolarHBondContact CB-O 3.42Å; S98-T102 PolarHBondContact OG-O 2.77Å; S98-T102 PolarHBondContact OG-OG1 2.87Å; S98-L104 PolarHBondContact OG-N 2.85Å | ||
| 99 | R | 82.8 | Confident | 85.7 | Confident | 142 Ų | 142 | 121.8 Ų | 121.8 | 54% | 0.536 | 64% | 0.641 | S | S | . | * | trans | -66.4 | 147.6 | 166.8 | -163.2 | -177.7 | -63.1 | -168.3 | 3 | 109.5 | D81 D101 T102 | D81-R99 PolarHBondContact O-NH2 2.87Å; D81-R99 IonicContact OD1-NH2 3.79Å; R99-D101 PolarHBondContact O-N 2.82Å; R99-T102 VanDerWaalsContact CB-OG1 3.29Å; R99-T102 WeakPolarHBondContact CB-OG1 3.39Å; R99-T102 PolarHBondContact O-N 2.86Å; R99-T102 VanDerWaalsContact O-O 3.06Å; R99-T102 PolarHBondContact O-OG1 2.81Å | ||
| 100 | E | 77.1 | Confident | 85.8 | Confident | 192 Ų | 192 | 121.2 Ų | 121.2 | 90% | 0.897 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | -37.3 | -170.9 | -63.5 | -174 | 167.8 | 0 | 0 | 114.4 | ||
| 101 | D | 80 | Confident | 85.9 | Confident | 159 Ų | 159 | 121.3 Ų | 121.3 | 85% | 0.85 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 9.5 | -176.8 | -63.5 | -46.8 | 0 | 0 | 0 | 114.7 | R99 | R99-D101 PolarHBondContact O-N 2.82Š|
| 102 | T | 82.8 | Confident | 86 | Confident | 68 Ų | 68 | 118.7 Ų | 118.7 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -127.4 | 137.5 | -176.4 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | S98 R99 | S98-T102 WeakPolarHBondContact CB-O 3.42Å; S98-T102 PolarHBondContact OG-O 2.77Å; S98-T102 PolarHBondContact OG-OG1 2.87Å; R99-T102 VanDerWaalsContact CB-OG1 3.29Å; R99-T102 WeakPolarHBondContact CB-OG1 3.39Å; R99-T102 PolarHBondContact O-N 2.86Å; R99-T102 VanDerWaalsContact O-O 3.06Å; R99-T102 PolarHBondContact O-OG1 2.81Å |
| 103 | P | 83.7 | Confident | 86.1 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 69% | 0.688 | 61% | 0.612 | S | S | * | * | trans | -71.1 | 144.4 | 173 | 29.6 | -33 | 0 | 0 | 0 | 110.8 | V105 | P103-V105 HydrophobicContact CB-CG2 4.46Å; P103-V105 HydrophobicContact CG-CG2 4.19Å; P103-V105 PolarHBondContact O-N 2.77Å | ||
| 104 | L | 87 | Confident | 86.2 | Confident | 100 Ų | 100 | 116.2 Ų | 116.2 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | trans | -73.4 | 114 | 166.7 | -179.6 | 68.3 | 0 | 0 | 0 | 108.3 | I96 S98 V106 | I96-L104 HydrophobicContact CG2-CD1 4.35Å; I96-L104 HydrophobicContact CG2-CD2 3.57Å; S98-L104 PolarHBondContact OG-N 2.85Å; L104-V106 HydrophobicContact CG-CG2 4.42Å | ||
| 105 | V | 88 | Confident | 86.4 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 70% | 0.703 | 59% | 0.585 | S | S | * | * | trans | -107.2 | 126.5 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | P103 | P103-V105 HydrophobicContact CB-CG2 4.46Å; P103-V105 HydrophobicContact CG-CG2 4.19Å; P103-V105 PolarHBondContact O-N 2.77Å | ||
| 106 | V | 88.7 | Confident | 86.6 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | trans | -119.6 | 118.5 | 174.2 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | L104 V112 | L104-V106 HydrophobicContact CG-CG2 4.42Å; V106-V112 HydrophobicContact CG1-CG1 3.87Å; V106-V112 HydrophobicContact CG1-CG2 4.29Å | ||
| 107 | H | 86.9 | Confident | 86.5 | Confident | 178 Ų | 178 | 105.3 Ų | 105.3 | 82% | 0.824 | 57% | 0.567 | S | S | * | * | trans | -112 | 133.7 | -180 | -173.4 | -95.9 | 0 | 0 | 0 | 110.3 | ||||
| 108 | S | 87.1 | Confident | 86.6 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 39% | 0.385 | 55% | 0.55 | S | S | . | . | trans | -145.6 | 144.6 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | E110 V112 | S108-E110 WeakPolarHBondContact CB-O 3.39Å; S108-E110 PolarHBondContact OG-N 3.44Å; S108-E110 VanDerWaalsContact OG-N 3.13Å; S108-E110 PolarHBondContact OG-O 3.46Å; S108-V112 VanDerWaalsContact CB-CG2 3.48Å | ||
| 109 | S | 85.9 | Confident | 86.7 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 85% | 0.846 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -72.3 | -19.6 | 169.6 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 110 | E | 88.1 | Confident | 86.9 | Confident | 155 Ų | 155 | 108.1 Ų | 108.1 | 72% | 0.724 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -119.1 | -166.4 | 179.9 | -61.1 | -166.1 | 171.1 | 0 | 0 | 110.8 | S108 V112 | S108-E110 WeakPolarHBondContact CB-O 3.39Å; S108-E110 PolarHBondContact OG-N 3.44Å; S108-E110 VanDerWaalsContact OG-N 3.13Å; S108-E110 PolarHBondContact OG-O 3.46Å; E110-V112 PolarHBondContact O-N 3.1Å |
| 111 | N | 89.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | trans | -66.2 | 130.9 | -179.9 | -62.7 | -12.6 | 0 | 0 | 0 | 111.2 | V129 G130 P131 | N111-V129 WeakPolarHBondContact CA-O 3.5Å; N111-G130 VanDerWaalsContact OD1-CA 3.27Å; N111-G130 WeakPolarHBondContact OD1-CA 3.46Å; N111-P131 WeakPolarHBondContact OD1-CD 3.29Å | ||
| 112 | V | 90.9 | Very high | 87.6 | Confident | 36 Ų | 36 | 97.8 Ų | 97.8 | 22% | 0.218 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.7 | 170.1 | -179.7 | 0 | 0 | 0 | 0 | 108 | V106 S108 E110 S128 V129 | V106-V112 HydrophobicContact CG1-CG1 3.87Å; V106-V112 HydrophobicContact CG1-CG2 4.29Å; S108-V112 VanDerWaalsContact CB-CG2 3.48Å; E110-V112 PolarHBondContact O-N 3.1Å; V112-S128 CarbonylContact O-C 3.57Å; V112-S128 VanDerWaalsContact O-CA 3.3Å; V112-S128 WeakPolarHBondContact O-CA 3.38Å; V112-V129 PolarHBondContact N-O 2.9Å; V112-V129 PolarHBondContact O-N 2.97Å |
| 113 | S | 89.8 | Confident | 87.8 | Confident | 65 Ų | 65 | 97.2 Ų | 97.2 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.5 | 176.9 | 74.1 | 0 | 0 | 0 | 0 | 112 | T127 | S113-T127 CarbonylContact C-O 3.52Å; S113-T127 WeakPolarHBondContact CA-O 3.27Å |
| 114 | L | 89.8 | Confident | 87.8 | Confident | 105 Ų | 105 | 96.4 Ų | 96.4 | 55% | 0.55 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.5 | 174 | -62.2 | 171.2 | 0 | 0 | 0 | 107.9 | R126 T127 | L114-R126 WeakPolarHBondContact O-CA 3.42Å; L114-T127 PolarHBondContact N-O 3.02Å; L114-T127 PolarHBondContact O-N 2.87Å |
| 115 | N | 90.1 | Very high | 87.8 | Confident | 55 Ų | 55 | 92 Ų | 92 | 29% | 0.294 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.3 | -178.3 | -63.5 | -71.6 | 0 | 0 | 0 | 109.9 | V123 G125 R126 | N115-V123 HydrophobicContact CB-CG1 4.13Å; N115-V123 HydrophobicContact CB-CG2 4.39Å; N115-G125 CarbonylContact C-O 3.43Å; N115-G125 WeakPolarHBondContact CA-O 3.29Å; N115-R126 WeakPolarHBondContact OD1-CG 3.45Å; N115-R126 PolarHBondContact OD1-NE 3.09Å |
| 116 | A | 88.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 92.1 Ų | 92.1 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V123 T124 G125 | A116-V123 CarbonylContact O-C 3.49Å; A116-V123 WeakPolarHBondContact O-CA 3.09Å; A116-T124 PolarHBondContact O-N 3.35Å; A116-T124 PolarHBondContact O-OG1 2.86Å; A116-G125 PolarHBondContact N-O 2.85Å; A116-G125 PolarHBondContact O-N 3.26Å |
| 117 | R | 86.8 | Confident | 87.8 | Confident | 117 Ų | 117 | 89.5 Ų | 89.5 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.4 | -178.2 | -65.5 | -179.9 | -177.2 | -122 | 11.9 | 110.7 | Y92 G121 N122 V123 | Y92-R117 PolarHBondContact OH-NH2 3.09Å; R117-G121 PolarHBondContact NH1-O 3.29Å; R117-G121 VanDerWaalsContact NH1-O 3.1Å; R117-N122 CarbonylContact C-O 3.53Å; R117-N122 VanDerWaalsContact CA-O 3.23Å; R117-N122 WeakPolarHBondContact CA-O 3.02Å; R117-V123 HydrophobicContact CG-CG2 4.16Å |
| 118 | N | 87.6 | Confident | 87.9 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | trans | -82.9 | 176 | 170.5 | 69.8 | 6.8 | 0 | 0 | 0 | 111.7 | N120 G121 N122 T124 | N118-N120 PolarHBondContact O-N 2.72Å; N118-N120 VanDerWaalsContact O-N 3.12Å; N118-N120 WeakPolarHBondContact OD1-CA 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.42Å; N118-N120 PolarHBondContact OD1-N 2.79Å; N118-N120 VanDerWaalsContact OD1-N 3.11Å; N118-G121 PolarHBondContact O-N 2.58Å; N118-G121 PolarHBondContact OD1-N 3.04Å; N118-G121 VanDerWaalsContact OD1-N 3.16Å; N118-N122 PolarHBondContact N-O 2.04Å; N118-N122 WeakPolarHBondContact OD1-CB 3.4Å; N118-N122 PolarHBondContact OD1-N 2.96Å; N118-N122 PolarHBondContact OD1-O 3.5Å; N118-T124 HydrophobicContact CB-CG2 3.89Å | ||
| 119 | E | 88.9 | Confident | 88 | Confident | 202 Ų | 202 | 82.7 Ų | 82.7 | 94% | 0.944 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.8 | 178 | -61.8 | -178.5 | 166.1 | 0 | 0 | 113.5 | G121 | E119-G121 VanDerWaalsContact C-N 3.27Å; E119-G121 PolarHBondContact O-N 2.81Å |
| 120 | N | 87.3 | Confident | 88.1 | Confident | 131 Ų | 131 | 78 Ų | 78 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.1 | 177.7 | -61.2 | -13.2 | 0 | 0 | 0 | 113 | N118 N122 | N118-N120 PolarHBondContact O-N 2.72Å; N118-N120 VanDerWaalsContact O-N 3.12Å; N118-N120 WeakPolarHBondContact OD1-CA 3.41Å; N118-N120 WeakPolarHBondContact OD1-CB 3.42Å; N118-N120 PolarHBondContact OD1-N 2.79Å; N118-N120 VanDerWaalsContact OD1-N 3.11Å; N120-N122 VanDerWaalsContact C-N 3.29Å; N120-N122 PolarHBondContact O-N 2.93Å |
| 121 | G | 83.1 | Confident | 87.9 | Confident | 33 Ų | 33 | 76.6 Ų | 76.6 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 80.6 | 2.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R117 N118 E119 | R117-G121 PolarHBondContact NH1-O 3.29Å; R117-G121 VanDerWaalsContact NH1-O 3.1Å; N118-G121 PolarHBondContact O-N 2.58Å; N118-G121 PolarHBondContact OD1-N 3.04Å; N118-G121 VanDerWaalsContact OD1-N 3.16Å; E119-G121 VanDerWaalsContact C-N 3.27Å; E119-G121 PolarHBondContact O-N 2.81Å |
| 122 | N | 87.5 | Confident | 87.5 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | trans | -76 | 138 | 177 | -64.6 | -22.9 | 0 | 0 | 0 | 110.3 | R117 N118 N120 T124 | R117-N122 CarbonylContact C-O 3.53Å; R117-N122 VanDerWaalsContact CA-O 3.23Å; R117-N122 WeakPolarHBondContact CA-O 3.02Å; N118-N122 PolarHBondContact N-O 2.04Å; N118-N122 WeakPolarHBondContact OD1-CB 3.4Å; N118-N122 PolarHBondContact OD1-N 2.96Å; N118-N122 PolarHBondContact OD1-O 3.5Å; N120-N122 VanDerWaalsContact C-N 3.29Å; N120-N122 PolarHBondContact O-N 2.93Å; N122-T124 PolarHBondContact O-N 3.48Å | ||
| 123 | V | 86.9 | Confident | 87.2 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 34% | 0.339 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 117.1 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | N115 A116 R117 G125 R126 | N115-V123 HydrophobicContact CB-CG1 4.13Å; N115-V123 HydrophobicContact CB-CG2 4.39Å; A116-V123 CarbonylContact O-C 3.49Å; A116-V123 WeakPolarHBondContact O-CA 3.09Å; R117-V123 HydrophobicContact CG-CG2 4.16Å; V123-G125 WeakPolarHBondContact CG1-O 3.46Å; V123-R126 HydrophobicContact CG1-CB 4.39Å |
| 124 | T | 85.7 | Confident | 86.9 | Confident | 89 Ų | 89 | 86.9 Ų | 86.9 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -26.3 | 177.4 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | A116 N118 N122 | A116-T124 PolarHBondContact O-N 3.35Å; A116-T124 PolarHBondContact O-OG1 2.86Å; N118-T124 HydrophobicContact CB-CG2 3.89Å; N122-T124 PolarHBondContact O-N 3.48Å |
| 125 | G | 86.8 | Confident | 86.6 | Confident | 8 Ų | 8 | 85.9 Ų | 85.9 | 8% | 0.082 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 144.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N115 A116 V123 H137 | N115-G125 CarbonylContact C-O 3.43Å; N115-G125 WeakPolarHBondContact CA-O 3.29Å; A116-G125 PolarHBondContact N-O 2.85Å; A116-G125 PolarHBondContact O-N 3.26Å; V123-G125 WeakPolarHBondContact CG1-O 3.46Å; G125-H137 CarbonylContact C-O 3.5Å; G125-H137 VanDerWaalsContact CA-O 3.25Å; G125-H137 WeakPolarHBondContact CA-O 3.42Å |
| 126 | R | 87.3 | Confident | 86.2 | Confident | 119 Ų | 119 | 85.4 Ų | 85.4 | 45% | 0.449 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 119.4 | 178.4 | 178 | 175.7 | -66.8 | 159.2 | 2.3 | 110.9 | L114 N115 V123 H137 | L114-R126 WeakPolarHBondContact O-CA 3.42Å; N115-R126 WeakPolarHBondContact OD1-CG 3.45Å; N115-R126 PolarHBondContact OD1-NE 3.09Å; V123-R126 HydrophobicContact CG1-CB 4.39Å; R126-H137 PolarHBondContact N-O 2.86Å; R126-H137 PolarHBondContact O-N 3.4Å |
| 127 | T | 87.9 | Confident | 85.7 | Confident | 37 Ų | 37 | 88.7 Ų | 88.7 | 23% | 0.227 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.7 | 169 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | S113 L114 Q135 M141 | S113-T127 CarbonylContact C-O 3.52Å; S113-T127 WeakPolarHBondContact CA-O 3.27Å; L114-T127 PolarHBondContact N-O 3.02Å; L114-T127 PolarHBondContact O-N 2.87Å; T127-Q135 CarbonylContact C-O 3.55Å; T127-Q135 WeakPolarHBondContact CA-O 3.35Å; T127-M141 HydrophobicContact CG2-CE 4.47Å |
| 128 | S | 88.8 | Confident | 85.2 | Confident | 13 Ų | 13 | 85.5 Ų | 85.5 | 9% | 0.091 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.4 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | V112 A134 Q135 | V112-S128 CarbonylContact O-C 3.57Å; V112-S128 VanDerWaalsContact O-CA 3.3Å; V112-S128 WeakPolarHBondContact O-CA 3.38Å; S128-A134 WeakPolarHBondContact O-CA 3.49Å; S128-Q135 PolarHBondContact N-O 3.14Å; S128-Q135 PolarHBondContact O-N 3.15Å |
| 129 | V | 90.7 | Very high | 84.6 | Confident | 77 Ų | 77 | 90.1 Ų | 90.1 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.4 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | N111 V112 A134 | N111-V129 WeakPolarHBondContact CA-O 3.5Å; V112-V129 PolarHBondContact N-O 2.9Å; V112-V129 PolarHBondContact O-N 2.97Å; V129-A134 HydrophobicContact CG1-CB 4.37Å; V129-A134 HydrophobicContact CG2-CB 4.15Å |
| 130 | G | 87.9 | Confident | 84.1 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 22% | 0.216 | 48% | 0.476 | C | S | . | . | trans | -112.7 | -178.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N111 K132 E133 | N111-G130 VanDerWaalsContact OD1-CA 3.27Å; N111-G130 WeakPolarHBondContact OD1-CA 3.46Å; G130-K132 VanDerWaalsContact C-N 3.26Å; G130-K132 PolarHBondContact O-N 3.08Å; G130-E133 PolarHBondContact N-O 3.35Å | ||
| 131 | P | 83.7 | Confident | 83.6 | Confident | 127 Ų | 127 | 80.5 Ų | 80.5 | 83% | 0.825 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -69.8 | -20.1 | -176.1 | 25.7 | -34.1 | 0 | 0 | 0 | 114.2 | N111 | N111-P131 WeakPolarHBondContact OD1-CD 3.29Š|
| 132 | K | 81.9 | Confident | 83.6 | Confident | 204 Ų | 204 | 84.1 Ų | 84.1 | 89% | 0.887 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -111.4 | -31.8 | -178 | -65.8 | -177 | -179.3 | 178.4 | 0 | 113.3 | G130 | G130-K132 VanDerWaalsContact C-N 3.26Å; G130-K132 PolarHBondContact O-N 3.08Å |
| 133 | E | 83.3 | Confident | 83.4 | Confident | 132 Ų | 132 | 83.7 Ų | 83.7 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | trans | -148.4 | 151 | -171.1 | 66.5 | -171.8 | 170.7 | 0 | 0 | 111.4 | G130 | G130-E133 PolarHBondContact N-O 3.35Š| ||
| 134 | A | 83.9 | Confident | 83.2 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 65% | 0.645 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | S128 V129 | S128-A134 WeakPolarHBondContact O-CA 3.49Å; V129-A134 HydrophobicContact CG1-CB 4.37Å; V129-A134 HydrophobicContact CG2-CB 4.15Å |
| 135 | Q | 84.2 | Confident | 83 | Confident | 83 Ų | 83 | 81.7 Ų | 81.7 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.1 | -177.4 | 58.7 | 176.5 | 22.2 | 0 | 0 | 110.5 | T127 S128 | T127-Q135 CarbonylContact C-O 3.55Å; T127-Q135 WeakPolarHBondContact CA-O 3.35Å; S128-Q135 PolarHBondContact N-O 3.14Å; S128-Q135 PolarHBondContact O-N 3.15Å |
| 136 | G | 81.9 | Confident | 82.5 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 137 | H | 78.7 | Confident | 82.2 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 79.2 | 170 | -64.7 | 79.6 | 0 | 0 | 0 | 107.5 | G125 R126 | G125-H137 CarbonylContact C-O 3.5Å; G125-H137 VanDerWaalsContact CA-O 3.25Å; G125-H137 WeakPolarHBondContact CA-O 3.42Å; R126-H137 PolarHBondContact N-O 2.86Å; R126-H137 PolarHBondContact O-N 3.4Å |
| 138 | T | 74.9 | Confident | 81.7 | Confident | 49 Ų | 49 | 92.5 Ų | 92.5 | 30% | 0.301 | 52% | 0.521 | S | S | . | . | trans | -128 | 145.3 | -179.1 | 58.9 | 0 | 0 | 0 | 0 | 109.1 | S140 | T138-S140 VanDerWaalsContact C-N 3.33Š| ||
| 139 | H | 75 | Confident | 81.3 | Confident | 161 Ų | 161 | 96.6 Ų | 96.6 | 75% | 0.745 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -64 | -44.2 | 176.4 | -163.5 | 61.8 | 0 | 0 | 0 | 110.9 | D155 | H139-D155 CarbonylContact O-C 3.55Š|
| 140 | S | 79 | Confident | 80.8 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | trans | -138.5 | 143.8 | 172.3 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | T138 A154 | T138-S140 VanDerWaalsContact C-N 3.33Å; S140-A154 CarbonylContact C-O 3.53Å; S140-A154 WeakPolarHBondContact CA-O 3.41Å | ||
| 141 | M | 77.6 | Confident | 80.6 | Confident | 54 Ų | 54 | 98.6 Ų | 98.6 | 27% | 0.266 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.7 | 172.1 | 176.5 | 176.9 | -70.7 | 0 | 0 | 107.7 | T127 L143 F152 S153 A154 | T127-M141 HydrophobicContact CG2-CE 4.47Å; M141-L143 HydrophobicContact CG-CD1 4.43Å; M141-L143 HydrophobicContact SD-CD1 4.16Å; M141-F152 HydrophobicContact CB-CE1 4.26Å; M141-F152 HydrophobicContact CG-CD1 4.16Å; M141-F152 HydrophobicContact CG-CE1 3.95Å; M141-F152 HydrophobicContact SD-CD1 4.15Å; M141-F152 HydrophobicContact SD-CE1 3.66Å; M141-S153 CarbonylContact O-C 3.53Å; M141-S153 VanDerWaalsContact O-CA 3.23Å; M141-S153 WeakPolarHBondContact O-CA 3.45Å; M141-A154 PolarHBondContact N-O 3.3Å; M141-A154 PolarHBondContact O-N 3.01Å |
| 142 | L | 83.2 | Confident | 80.5 | Confident | 109 Ų | 109 | 95.1 Ų | 95.1 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.2 | 175.6 | -175.4 | 71.3 | 0 | 0 | 0 | 108.6 | M150 | L142-M150 HydrophobicContact CD1-CG 3.69Å |
| 143 | L | 82.6 | Confident | 80.5 | Confident | 92 Ų | 92 | 87.1 Ų | 87.1 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 114.2 | 175.8 | -78.2 | 153.6 | 0 | 0 | 0 | 107.3 | M141 L151 F152 | M141-L143 HydrophobicContact CG-CD1 4.43Å; M141-L143 HydrophobicContact SD-CD1 4.16Å; L143-L151 WeakPolarHBondContact O-CA 3.41Å; L143-L151 WeakPolarHBondContact O-CB 3.46Å; L143-L151 PolarHBondContact O-N 3.16Å; L143-F152 HydrophobicContact CB-CB 3.96Å; L143-F152 HydrophobicContact CD1-CB 3.8Å; L143-F152 HydrophobicContact CD1-CD1 3.68Å; L143-F152 HydrophobicContact CD1-CG 3.92Å; L143-F152 HydrophobicContact CG-CB 4.48Å; L143-F152 PolarHBondContact N-O 3.38Å; L143-F152 PolarHBondContact O-N 3.22Å; L143-F152 VanDerWaalsContact O-N 3.11Å |
| 144 | N | 83.3 | Confident | 80.4 | Confident | 71 Ų | 71 | 81.8 Ų | 81.8 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 150 | 176.2 | -69.7 | -7.8 | 0 | 0 | 0 | 110.4 | N149 M150 | N144-N149 CarbonylContact C-O 3.58Å; N144-N149 WeakPolarHBondContact CA-O 3.5Å; N144-M150 WeakPolarHBondContact OD1-CA 3.44Å |
| 145 | S | 80.1 | Confident | 80 | Confident | 32 Ų | 32 | 82 Ų | 82 | 22% | 0.224 | 45% | 0.454 | C | S | . | . | trans | -68.7 | 160.1 | 164.7 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | N147 D148 N149 | S145-N147 PolarHBondContact O-N 3.18Å; S145-D148 PolarHBondContact O-N 3.13Å; S145-N149 WeakPolarHBondContact CB-O 2.96Å; S145-N149 PolarHBondContact N-O 2.02Å | ||
| 146 | P | 77.1 | Confident | 79.4 | Confident | 129 Ų | 129 | 81.8 Ų | 81.8 | 84% | 0.838 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -22.1 | 173.1 | -28.3 | 36.2 | 0 | 0 | 0 | 114.7 | ||
| 147 | N | 80.3 | Confident | 78.9 | Confident | 128 Ų | 128 | 87.8 Ų | 87.8 | 68% | 0.684 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 23.2 | 177.1 | -61.3 | -19.4 | 0 | 0 | 0 | 113.4 | S145 N149 | S145-N147 PolarHBondContact O-N 3.18Å; N147-N149 PolarHBondContact O-N 3.43Å |
| 148 | D | 77.8 | Confident | 78.6 | Confident | 133 Ų | 133 | 85.2 Ų | 85.2 | 71% | 0.711 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 59.6 | 15.1 | -177.5 | -75.5 | -44.3 | 0 | 0 | 0 | 116.2 | S145 M150 | S145-D148 PolarHBondContact O-N 3.13Å; D148-M150 PolarHBondContact O-N 3.36Å |
| 149 | N | 81 | Confident | 78.7 | Confident | 99 Ų | 99 | 85 Ų | 85 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | trans | -78.3 | 122.7 | 172.7 | -68.2 | -31.2 | 0 | 0 | 0 | 109.9 | N144 S145 N147 L151 | N144-N149 CarbonylContact C-O 3.58Å; N144-N149 WeakPolarHBondContact CA-O 3.5Å; S145-N149 WeakPolarHBondContact CB-O 2.96Å; S145-N149 PolarHBondContact N-O 2.02Å; N147-N149 PolarHBondContact O-N 3.43Å; N149-L151 PolarHBondContact O-N 3.12Å | ||
| 150 | M | 79.3 | Confident | 78.8 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 23% | 0.227 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 118.4 | 177.5 | -175.7 | -81.9 | -70 | 0 | 0 | 110.7 | L142 N144 D148 F152 V160 P163 | L142-M150 HydrophobicContact CD1-CG 3.69Å; N144-M150 WeakPolarHBondContact OD1-CA 3.44Å; D148-M150 PolarHBondContact O-N 3.36Å; M150-F152 VanDerWaalsContact SD-C 3.59Å; M150-F152 PolarHBondContact SD-N 3.39Å; M150-V160 HydrophobicContact CE-CB 4.1Å; M150-V160 HydrophobicContact CE-CG1 3.66Å; M150-P163 VanDerWaalsContact O-CD 3.29Å; M150-P163 WeakPolarHBondContact O-CD 3.39Å |
| 151 | L | 83.4 | Confident | 78.9 | Confident | 94 Ų | 94 | 78 Ų | 78 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -35.5 | 177.9 | -63.5 | 177.3 | 0 | 0 | 0 | 111.6 | L143 N149 G162 | L143-L151 WeakPolarHBondContact O-CA 3.41Å; L143-L151 WeakPolarHBondContact O-CB 3.46Å; L143-L151 PolarHBondContact O-N 3.16Å; N149-L151 PolarHBondContact O-N 3.12Å; L151-G162 PolarHBondContact O-N 2.88Å |
| 152 | F | 82.1 | Confident | 78.7 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 138 | 177.1 | 172.2 | -77.6 | 0 | 0 | 0 | 110.4 | M141 L143 M150 A154 T159 V160 I161 | M141-F152 HydrophobicContact CB-CE1 4.26Å; M141-F152 HydrophobicContact CG-CD1 4.16Å; M141-F152 HydrophobicContact CG-CE1 3.95Å; M141-F152 HydrophobicContact SD-CD1 4.15Å; M141-F152 HydrophobicContact SD-CE1 3.66Å; L143-F152 HydrophobicContact CB-CB 3.96Å; L143-F152 HydrophobicContact CD1-CB 3.8Å; L143-F152 HydrophobicContact CD1-CD1 3.68Å; L143-F152 HydrophobicContact CD1-CG 3.92Å; L143-F152 HydrophobicContact CG-CB 4.48Å; L143-F152 PolarHBondContact N-O 3.38Å; L143-F152 PolarHBondContact O-N 3.22Å; L143-F152 VanDerWaalsContact O-N 3.11Å; M150-F152 VanDerWaalsContact SD-C 3.59Å; M150-F152 PolarHBondContact SD-N 3.39Å; F152-A154 HydrophobicContact CE1-CB 3.62Å; F152-A154 HydrophobicContact CZ-CB 3.78Å; F152-T159 HydrophobicContact CD2-CG2 4.33Å; F152-T159 HydrophobicContact CE2-CG2 3.5Å; F152-T159 HydrophobicContact CZ-CG2 3.71Å; F152-V160 CarbonylContact C-O 3.59Å; F152-V160 WeakPolarHBondContact CA-O 3.35Å; F152-I161 HydrophobicContact CD2-CG1 3.88Å; F152-I161 HydrophobicContact CE2-CG1 4.24Å |
| 153 | S | 82.4 | Confident | 77.6 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 25% | 0.245 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.2 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | M141 T159 V160 | M141-S153 CarbonylContact O-C 3.53Å; M141-S153 VanDerWaalsContact O-CA 3.23Å; M141-S153 WeakPolarHBondContact O-CA 3.45Å; S153-T159 CarbonylContact O-C 3.56Å; S153-T159 WeakPolarHBondContact O-CA 3Å; S153-V160 PolarHBondContact N-O 3.27Å; S153-V160 PolarHBondContact O-N 3.48Å |
| 154 | A | 81.1 | Confident | 76.8 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 17% | 0.165 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 120.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S140 M141 F152 T159 | S140-A154 CarbonylContact C-O 3.53Å; S140-A154 WeakPolarHBondContact CA-O 3.41Å; M141-A154 PolarHBondContact N-O 3.3Å; M141-A154 PolarHBondContact O-N 3.01Å; F152-A154 HydrophobicContact CE1-CB 3.62Å; F152-A154 HydrophobicContact CZ-CB 3.78Å; A154-T159 HydrophobicContact CB-CG2 4.26Å |
| 155 | D | 75.4 | Confident | 75.9 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | trans | -128.6 | 30.4 | -172 | -167.7 | 28.4 | 0 | 0 | 0 | 112 | H139 E157 Q158 | H139-D155 CarbonylContact O-C 3.55Å; D155-E157 PolarHBondContact O-N 2.98Å; D155-Q158 PolarHBondContact N-O 3.41Å | ||
| 156 | G | 70.8 | Confident | 75.5 | Confident | 78 Ų | 78 | 78.7 Ų | 78.7 | 80% | 0.804 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 74.6 | -40.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 157 | E | 72.3 | Confident | 75.2 | Confident | 171 Ų | 171 | 77 Ų | 77 | 80% | 0.799 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -83.1 | -37.3 | 179.8 | -70.8 | -65.3 | 144.6 | 0 | 0 | 112.9 | D155 | D155-E157 PolarHBondContact O-N 2.98Š|
| 158 | Q | 72.9 | Confident | 75.1 | Confident | 71 Ų | 71 | 73 Ų | 73 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | trans | -148.3 | 148.1 | -177.4 | 59.7 | -175.1 | -13.7 | 0 | 0 | 110.8 | D155 V160 | D155-Q158 PolarHBondContact N-O 3.41Å; Q158-V160 HydrophobicContact CG-CG2 4.28Å | ||
| 159 | T | 77.1 | Confident | 74.6 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 27% | 0.27 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.8 | 168.2 | -57.9 | 0 | 0 | 0 | 0 | 108.7 | F152 S153 A154 I161 R167 V168 | F152-T159 HydrophobicContact CD2-CG2 4.33Å; F152-T159 HydrophobicContact CE2-CG2 3.5Å; F152-T159 HydrophobicContact CZ-CG2 3.71Å; S153-T159 CarbonylContact O-C 3.56Å; S153-T159 WeakPolarHBondContact O-CA 3Å; A154-T159 HydrophobicContact CB-CG2 4.26Å; T159-I161 HydrophobicContact CG2-CG1 4.46Å; T159-R167 CarbonylContact O-C 3.55Å; T159-R167 WeakPolarHBondContact O-CA 3.18Å; T159-V168 PolarHBondContact N-O 2.87Å; T159-V168 VanDerWaalsContact N-O 3.17Å; T159-V168 PolarHBondContact O-N 2.89Å |
| 160 | V | 75.4 | Confident | 74 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.9 | -179 | -168.2 | 0 | 0 | 0 | 0 | 108.1 | M150 F152 S153 Q158 G162 R167 | M150-V160 HydrophobicContact CE-CB 4.1Å; M150-V160 HydrophobicContact CE-CG1 3.66Å; F152-V160 CarbonylContact C-O 3.59Å; F152-V160 WeakPolarHBondContact CA-O 3.35Å; S153-V160 PolarHBondContact N-O 3.27Å; S153-V160 PolarHBondContact O-N 3.48Å; Q158-V160 HydrophobicContact CG-CG2 4.28Å; V160-G162 WeakPolarHBondContact CG1-O 3.22Å; V160-R167 HydrophobicContact CG2-CG 4.39Å |
| 161 | I | 81.1 | Confident | 73.3 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 35% | 0.349 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 108.5 | 178.7 | -61.3 | 164.8 | 0 | 0 | 0 | 107.8 | F152 T159 L166 | F152-I161 HydrophobicContact CD2-CG1 3.88Å; F152-I161 HydrophobicContact CE2-CG1 4.24Å; T159-I161 HydrophobicContact CG2-CG1 4.46Å; I161-L166 HydrophobicContact CB-CB 4.16Å; I161-L166 HydrophobicContact CB-CG 4.48Å; I161-L166 HydrophobicContact CD1-CD2 3.71Å; I161-L166 HydrophobicContact CD1-CG 4.19Å; I161-L166 PolarHBondContact N-O 3.48Å; I161-L166 PolarHBondContact O-N 3.24Å |
| 162 | G | 73.6 | Confident | 72.3 | Confident | 11 Ų | 11 | 76 Ų | 76 | 11% | 0.113 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 158.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L151 V160 D164 | L151-G162 PolarHBondContact O-N 2.88Å; V160-G162 WeakPolarHBondContact CG1-O 3.22Å; G162-D164 PolarHBondContact O-N 3.34Å; G162-D164 VanDerWaalsContact O-N 3.09Å |
| 163 | P | 61.8 | Low | 71.6 | Confident | 79 Ų | 79 | 75 Ų | 75 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.4 | -176.4 | 24.4 | -30.2 | 0 | 0 | 0 | 112.5 | M150 | M150-P163 VanDerWaalsContact O-CD 3.29Å; M150-P163 WeakPolarHBondContact O-CD 3.39Å |
| 164 | D | 64.2 | Low | 71.1 | Confident | 85 Ų | 85 | 75.7 Ų | 75.7 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | 5.1 | -167 | -57.7 | -58.1 | 0 | 0 | 0 | 115.7 | G162 H178 | G162-D164 PolarHBondContact O-N 3.34Å; G162-D164 VanDerWaalsContact O-N 3.09Å; D164-H178 PolarHBondContact O-ND1 3.07Å |
| 165 | K | 65.8 | Low | 70.6 | Confident | 159 Ų | 159 | 78.7 Ų | 78.7 | 69% | 0.691 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -52.4 | -170.3 | -71.9 | -171.6 | 178 | -174.6 | 0 | 113.1 | F176 | K165-F176 WeakPolarHBondContact O-CD1 3.24Š|
| 166 | L | 71.3 | Confident | 70.4 | Confident | 40 Ų | 40 | 79.5 Ų | 79.5 | 21% | 0.209 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 123.2 | -169.5 | 172.2 | 56.9 | 0 | 0 | 0 | 111.1 | I161 V168 A174 F176 | I161-L166 HydrophobicContact CB-CB 4.16Å; I161-L166 HydrophobicContact CB-CG 4.48Å; I161-L166 HydrophobicContact CD1-CD2 3.71Å; I161-L166 HydrophobicContact CD1-CG 4.19Å; I161-L166 PolarHBondContact N-O 3.48Å; I161-L166 PolarHBondContact O-N 3.24Å; L166-V168 HydrophobicContact CD1-CG2 4.42Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; L166-A174 HydrophobicContact CD1-CB 3.57Å; L166-F176 HydrophobicContact CB-CD1 4.21Å; L166-F176 HydrophobicContact CB-CE1 4.18Å; L166-F176 HydrophobicContact CD1-CD1 3.71Å; L166-F176 HydrophobicContact CD1-CE1 3.37Å; L166-F176 HydrophobicContact CD1-CE2 4.31Å; L166-F176 HydrophobicContact CD1-CG 4.37Å; L166-F176 HydrophobicContact CD1-CZ 3.7Å; L166-F176 HydrophobicContact CD2-CE1 4.14Å; L166-F176 HydrophobicContact CG-CD1 4.49Å; L166-F176 HydrophobicContact CG-CE1 4.11Å |
| 167 | R | 70.8 | Confident | 70.2 | Confident | 92 Ų | 92 | 80.7 Ų | 80.7 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.3 | 175.7 | -176.8 | 176.5 | 174.5 | -157.6 | -3.5 | 109.2 | T159 V160 T169 L175 | T159-R167 CarbonylContact O-C 3.55Å; T159-R167 WeakPolarHBondContact O-CA 3.18Å; V160-R167 HydrophobicContact CG2-CG 4.39Å; R167-T169 HydrophobicContact CG-CG2 4.15Å; R167-L175 HydrophobicContact CB-CB 4.48Å; R167-L175 PolarHBondContact N-O 2.85Å; R167-L175 PolarHBondContact O-N 3.33Å |
| 168 | V | 77.2 | Confident | 70.1 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 28% | 0.279 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.4 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | T159 L166 A174 | T159-V168 PolarHBondContact N-O 2.87Å; T159-V168 VanDerWaalsContact N-O 3.17Å; T159-V168 PolarHBondContact O-N 2.89Å; L166-V168 HydrophobicContact CD1-CG2 4.42Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; V168-A174 HydrophobicContact CG2-CB 4.12Å |
| 169 | T | 68.5 | Low | 69.9 | Low | 84 Ų | 84 | 80.8 Ų | 80.8 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | trans | -97.1 | 18.8 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 112.9 | R167 G173 | R167-T169 HydrophobicContact CG-CG2 4.15Å; T169-G173 PolarHBondContact N-O 2.9Å | ||
| 170 | G | 66.9 | Low | 69.8 | Low | 32 Ų | 32 | 82.4 Ų | 82.4 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 125.8 | -162.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E172 G173 | G170-E172 PolarHBondContact O-N 3.4Å; G170-G173 PolarHBondContact O-N 3.27Å |
| 171 | P | 65.4 | Low | 69.7 | Low | 133 Ų | 133 | 90.5 Ų | 90.5 | 86% | 0.864 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.5 | -177.2 | 28.1 | -34.3 | 0 | 0 | 0 | 113.6 | G173 | P171-G173 VanDerWaalsContact C-N 3.32Å; P171-G173 PolarHBondContact O-N 3.45Å |
| 172 | E | 62.9 | Low | 69.4 | Low | 186 Ų | 186 | 91 Ų | 91 | 87% | 0.869 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.1 | -176 | -61.9 | -59.9 | 149 | 0 | 0 | 113.8 | G170 | G170-E172 PolarHBondContact O-N 3.4Š|
| 173 | G | 67.2 | Low | 69.3 | Low | 33 Ų | 33 | 97.4 Ų | 97.4 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | trans | 138.1 | -164.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T169 G170 P171 | T169-G173 PolarHBondContact N-O 2.9Å; G170-G173 PolarHBondContact O-N 3.27Å; P171-G173 VanDerWaalsContact C-N 3.32Å; P171-G173 PolarHBondContact O-N 3.45Å | ||
| 174 | A | 71.8 | Confident | 70 | Confident | 49 Ų | 49 | 100 Ų | 100 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133 | 135.5 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | L166 V168 | L166-A174 HydrophobicContact CD1-CB 3.57Å; V168-A174 HydrophobicContact CG2-CB 4.12Å |
| 175 | L | 71.3 | Confident | 70.5 | Confident | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 123.9 | 177.3 | -179.9 | 68.9 | 0 | 0 | 0 | 109.8 | R167 | R167-L175 HydrophobicContact CB-CB 4.48Å; R167-L175 PolarHBondContact N-O 2.85Å; R167-L175 PolarHBondContact O-N 3.33Å |
| 176 | F | 70.4 | Confident | 70.9 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 45% | 0.447 | 55% | 0.549 | S | S | . | . | trans | -100.5 | 122.3 | 169.9 | -59 | -84.5 | 0 | 0 | 0 | 108.6 | K165 L166 H178 V180 | K165-F176 WeakPolarHBondContact O-CD1 3.24Å; L166-F176 HydrophobicContact CB-CD1 4.21Å; L166-F176 HydrophobicContact CB-CE1 4.18Å; L166-F176 HydrophobicContact CD1-CD1 3.71Å; L166-F176 HydrophobicContact CD1-CE1 3.37Å; L166-F176 HydrophobicContact CD1-CE2 4.31Å; L166-F176 HydrophobicContact CD1-CG 4.37Å; L166-F176 HydrophobicContact CD1-CZ 3.7Å; L166-F176 HydrophobicContact CD2-CE1 4.14Å; L166-F176 HydrophobicContact CG-CD1 4.49Å; L166-F176 HydrophobicContact CG-CE1 4.11Å; F176-H178 VanDerWaalsContact C-N 3.33Å; F176-V180 HydrophobicContact CB-CG2 3.73Å; F176-V180 HydrophobicContact CD1-CB 4.41Å; F176-V180 HydrophobicContact CD1-CG1 4.48Å; F176-V180 HydrophobicContact CD1-CG2 3.14Å; F176-V180 HydrophobicContact CD2-CG2 4.22Å; F176-V180 HydrophobicContact CE1-CG1 4.22Å; F176-V180 HydrophobicContact CE1-CG2 3.66Å; F176-V180 HydrophobicContact CG-CG2 3.44Å; F176-V180 VanDerWaalsContact CG-CG2 3.44Å; F176-V180 HydrophobicContact CZ-CG2 4.4Å | ||
| 177 | Q | 66.8 | Low | 71 | Confident | 103 Ų | 103 | 99.6 Ų | 99.6 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -78.9 | -23.1 | 177.2 | -69.2 | 178.5 | -3.3 | 0 | 0 | 112.1 | ||
| 178 | H | 70.2 | Confident | 71 | Confident | 116 Ų | 116 | 101.1 Ų | 101.1 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -130.4 | 168.9 | -177.2 | -64.2 | 93.2 | 0 | 0 | 0 | 111.3 | D164 F176 | D164-H178 PolarHBondContact O-ND1 3.07Å; F176-H178 VanDerWaalsContact C-N 3.33Å |
| 179 | S | 68.9 | Low | 70.3 | Confident | 127 Ų | 127 | 106.1 Ų | 106.1 | 89% | 0.888 | 59% | 0.589 | S | S | * | * | trans | -58.2 | 139.3 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 180 | V | 74.1 | Confident | 69.9 | Low | 78 Ų | 78 | 111 Ų | 111 | 47% | 0.473 | 61% | 0.611 | S | S | . | * | trans | -117.9 | 131.5 | -178.1 | -169.1 | 0 | 0 | 0 | 0 | 109.2 | F176 V182 | F176-V180 HydrophobicContact CB-CG2 3.73Å; F176-V180 HydrophobicContact CD1-CB 4.41Å; F176-V180 HydrophobicContact CD1-CG1 4.48Å; F176-V180 HydrophobicContact CD1-CG2 3.14Å; F176-V180 HydrophobicContact CD2-CG2 4.22Å; F176-V180 HydrophobicContact CE1-CG1 4.22Å; F176-V180 HydrophobicContact CE1-CG2 3.66Å; F176-V180 HydrophobicContact CG-CG2 3.44Å; F176-V180 VanDerWaalsContact CG-CG2 3.44Å; F176-V180 HydrophobicContact CZ-CG2 4.4Å; V180-V182 HydrophobicContact CG1-CG1 3.97Å | ||
| 181 | E | 73.1 | Confident | 69.8 | Low | 194 Ų | 194 | 115.4 Ų | 115.4 | 91% | 0.907 | 62% | 0.621 | S | S | * | * | trans | -97.2 | 120.2 | 174.1 | -170.1 | 175 | 177.2 | 0 | 0 | 109.8 | ||||
| 182 | V | 76.5 | Confident | 70 | Confident | 79 Ų | 79 | 115.4 Ų | 115.4 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | trans | -136 | 135.7 | 176.8 | -67 | 0 | 0 | 0 | 0 | 110.8 | V180 L185 | V180-V182 HydrophobicContact CG1-CG1 3.97Å; V182-L185 HydrophobicContact CG2-CB 4.49Å; V182-L185 HydrophobicContact CG2-CD1 4.29Å | ||
| 183 | P | 70.6 | Confident | 70.5 | Confident | 145 Ų | 145 | 110.6 Ų | 110.6 | 94% | 0.942 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -76.3 | -26.2 | -179.9 | 29.4 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 184 | L | 75.3 | Confident | 70.7 | Confident | 134 Ų | 134 | 114.6 Ų | 114.6 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | trans | -149.5 | 126.8 | 178.8 | 176.5 | 65.8 | 0 | 0 | 0 | 109.1 | K186 | L184-K186 HydrophobicContact CG-CB 4.41Š| ||
| 185 | L | 75.9 | Confident | 70.7 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 45% | 0.45 | 60% | 0.601 | S | S | . | * | trans | -107 | 121.9 | 170.4 | -165.6 | 84.3 | 0 | 0 | 0 | 108.6 | V182 L193 L195 | V182-L185 HydrophobicContact CG2-CB 4.49Å; V182-L185 HydrophobicContact CG2-CD1 4.29Å; L185-L193 HydrophobicContact CD2-CD1 4.07Å; L185-L193 HydrophobicContact CD2-CD2 3.62Å; L185-L193 HydrophobicContact CD2-CG 4.09Å; L185-L193 HydrophobicContact CG-CD1 4.15Å; L185-L193 HydrophobicContact CG-CD2 3.9Å; L185-L195 HydrophobicContact CD2-CD1 3.75Å; L185-L195 HydrophobicContact CD2-CD2 3.95Å; L185-L195 HydrophobicContact CD2-CG 4.23Å | ||
| 186 | K | 73.7 | Confident | 70.4 | Confident | 146 Ų | 146 | 116.8 Ų | 116.8 | 64% | 0.635 | 60% | 0.603 | S | S | * | * | trans | -144.6 | 140.2 | -176 | -171.4 | -172.9 | 170.8 | -175.8 | 0 | 110.1 | L184 | L184-K186 HydrophobicContact CG-CB 4.41Š| ||
| 187 | S | 74 | Confident | 70 | Confident | 43 Ų | 43 | 113.5 Ų | 113.5 | 30% | 0.301 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -86 | 163.6 | 168.3 | 56 | 0 | 0 | 0 | 0 | 112.6 | K191 | S187-K191 WeakPolarHBondContact CB-O 3.45Å; S187-K191 PolarHBondContact OG-O 2.86Å |
| 188 | E | 70.3 | Confident | 69.6 | Low | 125 Ų | 125 | 113.6 Ų | 113.6 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 159.2 | 167.6 | -66.7 | 176.9 | -175.9 | 0 | 0 | 111.5 | L190 K191 | E188-L190 PolarHBondContact O-N 3.48Å; E188-K191 HydrophobicContact CB-CB 4.29Å; E188-K191 HydrophobicContact CB-CD 4.08Å; E188-K191 HydrophobicContact CB-CG 4.27Å; E188-K191 PolarHBondContact O-N 3.29Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-K191 WeakPolarHBondContact OE2-CD 3.33Å; E188-K191 WeakPolarHBondContact OE2-CE 3.38Å; E188-K191 IonicContact OE2-NZ 3.97Å; E188-K191 PolarHBondContact OE2-NZ 2.88Å |
| 189 | L | 61.8 | Low | 69 | Low | 150 Ų | 150 | 114.1 Ų | 114.1 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 134.2 | 175.2 | -93.1 | 83 | 0 | 0 | 0 | 110.1 | K191 | L189-K191 PolarHBondContact O-N 2.82Š|
| 190 | L | 60.3 | Low | 68.9 | Low | 186 Ų | 186 | 117.8 Ų | 117.8 | 97% | 0.974 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65 | 10.4 | 179.3 | -52.7 | 163.3 | 0 | 0 | 0 | 114.8 | E188 | E188-L190 PolarHBondContact O-N 3.48Š|
| 191 | K | 66.4 | Low | 68.4 | Low | 125 Ų | 125 | 116.8 Ų | 116.8 | 54% | 0.543 | 61% | 0.605 | S | S | . | * | trans | -110.7 | 141.5 | 171.1 | -65.8 | -168.1 | -176.6 | 165.8 | 0 | 110.9 | S187 E188 L189 | S187-K191 WeakPolarHBondContact CB-O 3.45Å; S187-K191 PolarHBondContact OG-O 2.86Å; E188-K191 HydrophobicContact CB-CB 4.29Å; E188-K191 HydrophobicContact CB-CD 4.08Å; E188-K191 HydrophobicContact CB-CG 4.27Å; E188-K191 PolarHBondContact O-N 3.29Å; E188-K191 VanDerWaalsContact O-N 3.15Å; E188-K191 WeakPolarHBondContact OE2-CD 3.33Å; E188-K191 WeakPolarHBondContact OE2-CE 3.38Å; E188-K191 IonicContact OE2-NZ 3.97Å; E188-K191 PolarHBondContact OE2-NZ 2.88Å; L189-K191 PolarHBondContact O-N 2.82Å | ||
| 192 | D | 68.4 | Low | 68.3 | Low | 133 Ų | 133 | 109.1 Ų | 109.1 | 71% | 0.711 | 57% | 0.571 | S | S | * | * | trans | -77.8 | 139.6 | 179.3 | -59.1 | -30.6 | 0 | 0 | 0 | 111 | ||||
| 193 | L | 73.8 | Confident | 67.9 | Low | 85 Ų | 85 | 109.6 Ų | 109.6 | 45% | 0.445 | 57% | 0.574 | S | S | . | * | trans | -92.2 | 98.2 | 170.6 | -173.3 | 61.9 | 0 | 0 | 0 | 108.9 | L185 | L185-L193 HydrophobicContact CD2-CD1 4.07Å; L185-L193 HydrophobicContact CD2-CD2 3.62Å; L185-L193 HydrophobicContact CD2-CG 4.09Å; L185-L193 HydrophobicContact CG-CD1 4.15Å; L185-L193 HydrophobicContact CG-CD2 3.9Å | ||
| 194 | K | 70.6 | Confident | 68 | Low | 117 Ų | 117 | 105.3 Ų | 105.3 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | trans | -99.8 | 128.3 | 179.8 | -178.7 | -170.7 | -101 | -170.1 | 0 | 110.5 | W251 | K194-W251 HydrophobicContact CD-CH2 3.2Å; K194-W251 HydrophobicContact CD-CZ2 3.54Å; K194-W251 HydrophobicContact CD-CZ3 4.05Å; K194-W251 HydrophobicContact CG-CH2 3.84Å; K194-W251 HydrophobicContact CG-CZ2 3.64Å | ||
| 195 | L | 72.4 | Confident | 67.6 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | trans | -116.5 | 111.7 | 171.8 | -65 | 174.8 | 0 | 0 | 0 | 109 | L185 M204 | L185-L195 HydrophobicContact CD2-CD1 3.75Å; L185-L195 HydrophobicContact CD2-CD2 3.95Å; L185-L195 HydrophobicContact CD2-CG 4.23Å; L195-M204 HydrophobicContact CD1-CE 3.01Å; L195-M204 HydrophobicContact CG-CE 4.48Å | ||
| 196 | E | 64.5 | Low | 67.3 | Low | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | trans | -111.2 | 139.4 | -179.4 | -158.3 | 163.8 | 174 | 0 | 0 | 111 | W251 | E196-W251 HydrophobicContact CB-CH2 4.35Å; E196-W251 HydrophobicContact CB-CZ2 3.56Å; E196-W251 HydrophobicContact CG-CH2 3.98Å; E196-W251 HydrophobicContact CG-CZ2 3.3Å; E196-W251 WeakPolarHBondContact OE2-CH2 3.32Å; E196-W251 VanDerWaalsContact OE2-CZ2 3.27Å; E196-W251 WeakPolarHBondContact OE2-CZ2 3.29Å | ||
| 197 | C | 62.7 | Low | 66.9 | Low | 33 Ų | 33 | 102.2 Ų | 102.2 | 22% | 0.223 | 55% | 0.545 | C | S | . | . | trans | -120 | 103 | 163 | -88.2 | 0 | 0 | 0 | 0 | 108.1 | T199 S201 V202 C249 | C197-T199 PolarHBondContact O-N 3.32Å; C197-S201 PolarHBondContact SG-O 3.37Å; C197-V202 HydrophobicContact CB-CG2 3.75Å; C197-V202 WeakPolarHBondContact SG-CG2 3.29Å; C197-C249 VanDerWaalsContact CB-SG 3.57Å; C197-C249 WeakPolarHBondContact O-CB 3.42Å; C197-C249 PolarHBondContact O-SG 3.3Å | ||
| 198 | P | 57.8 | Low | 66.6 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 69% | 0.688 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -66.9 | -26.3 | -177.3 | -22.3 | 32.8 | 0 | 0 | 0 | 113.4 | ||
| 199 | T | 57.7 | Low | 66.2 | Low | 126 Ų | 126 | 104.2 Ų | 104.2 | 77% | 0.773 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -117.9 | -20.1 | -165.8 | 56.3 | 0 | 0 | 0 | 0 | 115.3 | C197 | C197-T199 PolarHBondContact O-N 3.32Š|
| 200 | R | 66.6 | Low | 66.5 | Low | 205 Ų | 205 | 98.4 Ų | 98.4 | 77% | 0.774 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -147.3 | -103.2 | -170.7 | -64 | -173.6 | -177.7 | 173.5 | 1.3 | 113.1 | C249 | R200-C249 PolarHBondContact O-SG 3.35Š|
| 201 | S | 63.4 | Low | 66.9 | Low | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 146.3 | -174.6 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | C197 L247 | C197-S201 PolarHBondContact SG-O 3.37Å; S201-L247 WeakPolarHBondContact CA-O 3.34Å; S201-L247 WeakPolarHBondContact CB-O 3.29Å |
| 202 | V | 70.6 | Confident | 67 | Low | 32 Ų | 32 | 95.5 Ų | 95.5 | 19% | 0.194 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.6 | 167.3 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | C197 M204 L247 | C197-V202 HydrophobicContact CB-CG2 3.75Å; C197-V202 WeakPolarHBondContact SG-CG2 3.29Å; V202-M204 HydrophobicContact CG1-CE 4.32Å; V202-M204 HydrophobicContact CG1-CG 4.49Å; V202-L247 PolarHBondContact O-N 3.42Å |
| 203 | T | 69.9 | Low | 66.9 | Low | 89 Ų | 89 | 97.4 Ų | 97.4 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.9 | 170.7 | 55.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 204 | M | 71.1 | Confident | 66.5 | Low | 55 Ų | 55 | 95.4 Ų | 95.4 | 27% | 0.271 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.7 | 171.2 | -64.4 | 178.9 | -175.6 | 0 | 0 | 108.4 | L195 V202 V210 L212 I245 | L195-M204 HydrophobicContact CD1-CE 3.01Å; L195-M204 HydrophobicContact CG-CE 4.48Å; V202-M204 HydrophobicContact CG1-CE 4.32Å; V202-M204 HydrophobicContact CG1-CG 4.49Å; M204-V210 HydrophobicContact CB-CG1 4.35Å; M204-V210 HydrophobicContact CB-CG2 4.08Å; M204-V210 HydrophobicContact SD-CG1 4.18Å; M204-L212 HydrophobicContact SD-CD2 4.49Å; M204-I245 PolarHBondContact N-O 2.83Å |
| 205 | D | 67.3 | Low | 66.1 | Low | 131 Ų | 131 | 97.1 Ų | 97.1 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.3 | 176.5 | -169.7 | 4.9 | 0 | 0 | 0 | 109.3 | ||
| 206 | A | 69.2 | Low | 65.3 | Low | 26 Ų | 26 | 98 Ų | 98 | 22% | 0.215 | 54% | 0.537 | C | S | . | . | trans | -148.7 | 133.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K208 G209 V210 | A206-K208 PolarHBondContact O-N 2.83Å; A206-K208 VanDerWaalsContact O-N 3.12Å; A206-G209 WeakPolarHBondContact CB-O 3.33Å; A206-G209 PolarHBondContact O-N 3.43Å; A206-V210 HydrophobicContact CB-CG2 3.75Å | ||
| 207 | P | 66.6 | Low | 65.3 | Low | 144 Ų | 144 | 96.2 Ų | 96.2 | 94% | 0.935 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.9 | -175.5 | 24.9 | -34.5 | 0 | 0 | 0 | 113.6 | ||
| 208 | K | 67.9 | Low | 65.1 | Low | 194 Ų | 194 | 100.4 Ų | 100.4 | 84% | 0.843 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 12 | 176.8 | -65.2 | -174.1 | 179.4 | 179 | 0 | 113.1 | A206 | A206-K208 PolarHBondContact O-N 2.83Å; A206-K208 VanDerWaalsContact O-N 3.12Å |
| 209 | G | 61.8 | Low | 65.4 | Low | 17 Ų | 17 | 100.4 Ų | 100.4 | 18% | 0.175 | 56% | 0.56 | C | S | . | * | trans | 87.4 | 156.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A206 | A206-G209 WeakPolarHBondContact CB-O 3.33Å; A206-G209 PolarHBondContact O-N 3.43Å | ||
| 210 | V | 67.6 | Low | 65.7 | Low | 27 Ų | 27 | 101.2 Ų | 101.2 | 16% | 0.164 | 56% | 0.555 | C | S | . | * | trans | -94.9 | 124.5 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | M204 A206 L212 | M204-V210 HydrophobicContact CB-CG1 4.35Å; M204-V210 HydrophobicContact CB-CG2 4.08Å; M204-V210 HydrophobicContact SD-CG1 4.18Å; A206-V210 HydrophobicContact CB-CG2 3.75Å; V210-L212 HydrophobicContact CG1-CD2 4.25Å; V210-L212 HydrophobicContact CG1-CG 4.4Å | ||
| 211 | H | 67.6 | Low | 65.7 | Low | 150 Ų | 150 | 94.8 Ų | 94.8 | 69% | 0.694 | 55% | 0.546 | S | S | * | . | trans | -105.4 | 109.6 | 178.8 | -66.9 | -68.7 | 0 | 0 | 0 | 111.3 | ||||
| 212 | L | 69.9 | Low | 65.4 | Low | 100 Ų | 100 | 95.2 Ų | 95.2 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | trans | -97.8 | 117.1 | 173.6 | -59.3 | 176.3 | 0 | 0 | 0 | 109.5 | M204 V210 I219 I245 | M204-L212 HydrophobicContact SD-CD2 4.49Å; V210-L212 HydrophobicContact CG1-CD2 4.25Å; V210-L212 HydrophobicContact CG1-CG 4.4Å; L212-I219 HydrophobicContact CB-CD1 4.48Å; L212-I245 HydrophobicContact CD1-CD1 3.67Å; L212-I245 HydrophobicContact CG-CD1 4.5Å | ||
| 213 | K | 65.6 | Low | 64.9 | Low | 173 Ų | 173 | 95 Ų | 95 | 75% | 0.752 | 55% | 0.553 | S | S | * | * | trans | -134.2 | 120.6 | 178.7 | -174.4 | 179.3 | -178.5 | -179 | 0 | 110.4 | ||||
| 214 | A | 66.1 | Low | 64.4 | Low | 44 Ų | 44 | 96 Ų | 96 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | trans | -94.9 | 123.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I219 | A214-I219 HydrophobicContact CB-CD1 4.09Å; A214-I219 HydrophobicContact CB-CG1 3.65Å | ||
| 215 | L | 61 | Low | 63.8 | Low | 152 Ų | 152 | 100 Ų | 100 | 80% | 0.796 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -73.6 | -33.7 | 175.5 | -69.6 | 171.7 | 0 | 0 | 0 | 111.6 | ||
| 216 | A | 57.4 | Low | 63.1 | Low | 93 Ų | 93 | 100.1 Ų | 100.1 | 77% | 0.769 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -153.1 | 145.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 217 | G | 63.6 | Low | 62.5 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 68% | 0.68 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 95.2 | 180 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 218 | N | 58.6 | Low | 61.9 | Low | 121 Ų | 121 | 99.8 Ų | 99.8 | 65% | 0.647 | 56% | 0.563 | S | S | * | * | trans | -95.6 | 151 | -179.9 | -65.8 | -20.6 | 0 | 0 | 0 | 110.6 | E220 | N218-E220 HydrophobicContact CB-CG 4.25Š| ||
| 219 | I | 64.8 | Low | 61.5 | Low | 107 Ų | 107 | 96 Ų | 96 | 55% | 0.549 | 55% | 0.552 | S | S | . | * | trans | -96.7 | 115.6 | 164.2 | -58.3 | 172.8 | 0 | 0 | 0 | 106.1 | L212 A214 | L212-I219 HydrophobicContact CB-CD1 4.48Å; A214-I219 HydrophobicContact CB-CD1 4.09Å; A214-I219 HydrophobicContact CB-CG1 3.65Å | ||
| 220 | E | 62.9 | Low | 61 | Low | 143 Ų | 143 | 101.5 Ų | 101.5 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | trans | -110.3 | 123.1 | 178.9 | -66 | 179.3 | -171.2 | 0 | 0 | 108.7 | N218 | N218-E220 HydrophobicContact CB-CG 4.25Š| ||
| 221 | A | 67.3 | Low | 60.3 | Low | 70 Ų | 70 | 104 Ų | 104 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | trans | -118.3 | 112.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | L247 | A221-L247 HydrophobicContact CB-CD2 4.46Š| ||
| 222 | A | 57.6 | Low | 59.7 | Low | 66 Ų | 66 | 102 Ų | 102 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -120.5 | 133.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 223 | S | 58.3 | Low | 58.7 | Low | 28 Ų | 28 | 101.2 Ų | 101.2 | 20% | 0.196 | 59% | 0.593 | C | S | . | * | trans | -133.4 | 139.7 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | M225 V227 G248 | S223-M225 WeakPolarHBondContact CB-O 3.29Å; S223-M225 PolarHBondContact OG-N 2.86Å; S223-M225 PolarHBondContact OG-O 3.34Å; S223-M225 VanDerWaalsContact OG-O 3.13Å; S223-V227 VanDerWaalsContact CB-CG2 3.45Å; S223-G248 VanDerWaalsContact CA-O 3.29Å; S223-G248 WeakPolarHBondContact CA-O 3.47Å; S223-G248 VanDerWaalsContact CB-O 3.29Å; S223-G248 WeakPolarHBondContact CB-O 3.37Å; S223-G248 VanDerWaalsContact OG-C 3.26Å; S223-G248 WeakPolarHBondContact OG-CA 3.44Å; S223-G248 PolarHBondContact OG-N 3.19Å; S223-G248 VanDerWaalsContact OG-N 3.16Å; S223-G248 PolarHBondContact OG-O 2.89Å | ||
| 224 | N | 59.9 | Low | 57.4 | Low | 109 Ų | 109 | 96.5 Ų | 96.5 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -82.7 | -1.5 | 170.4 | -161.8 | 12.1 | 0 | 0 | 0 | 111.7 | C249 T250 | N224-C249 WeakPolarHBondContact CB-O 3.28Å; N224-T250 HydrophobicContact CB-CG2 4.45Å; N224-T250 VanDerWaalsContact CB-N 3.32Å; N224-T250 WeakPolarHBondContact CB-OG1 3.29Å; N224-T250 VanDerWaalsContact CG-OG1 3.23Å; N224-T250 PolarHBondContact ND2-OG1 3.28Å |
| 225 | M | 59.3 | Low | 56.1 | Low | 140 Ų | 140 | 103.7 Ų | 103.7 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -123.1 | -168.1 | 173.7 | -67.5 | -173.1 | 164 | 0 | 0 | 108.9 | S223 V227 | S223-M225 WeakPolarHBondContact CB-O 3.29Å; S223-M225 PolarHBondContact OG-N 2.86Å; S223-M225 PolarHBondContact OG-O 3.34Å; S223-M225 VanDerWaalsContact OG-O 3.13Å; M225-V227 PolarHBondContact O-N 2.85Å |
| 226 | D | 51.9 | Low | 54.7 | Low | 132 Ų | 132 | 99.3 Ų | 99.3 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | trans | -65.8 | 127.8 | 178.9 | -61.7 | -37.7 | 0 | 0 | 0 | 111.7 | I228 | D226-I228 HydrophobicContact CB-CD1 4.47Å; D226-I228 HydrophobicContact CB-CG1 4.05Å; D226-I228 PolarHBondContact O-N 2.86Å | ||
| 227 | V | 56.5 | Low | 53.5 | Low | 71 Ų | 71 | 101.4 Ų | 101.4 | 43% | 0.43 | 62% | 0.62 | S | S | . | * | trans | -84.9 | 102.6 | 165 | -179.3 | 0 | 0 | 0 | 0 | 108 | S223 M225 L229 L247 | S223-V227 VanDerWaalsContact CB-CG2 3.45Å; M225-V227 PolarHBondContact O-N 2.85Å; V227-L229 HydrophobicContact CG1-CD2 4.5Å; V227-L229 HydrophobicContact CG1-CG 4.33Å; V227-L247 HydrophobicContact CG1-CD2 3.96Å; V227-L247 HydrophobicContact CG2-CD2 4.09Å | ||
| 228 | I | 54.9 | Low | 52.2 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 47% | 0.472 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.5 | -180 | -58.2 | 175.6 | 0 | 0 | 0 | 109.2 | D226 Q230 | D226-I228 HydrophobicContact CB-CD1 4.47Å; D226-I228 HydrophobicContact CB-CG1 4.05Å; D226-I228 PolarHBondContact O-N 2.86Å; I228-Q230 HydrophobicContact CG2-CG 3.8Å |
| 229 | L | 59.8 | Low | 51 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 103.8 | 172.6 | -62.1 | 175.6 | 0 | 0 | 0 | 109.2 | V227 | V227-L229 HydrophobicContact CG1-CD2 4.5Å; V227-L229 HydrophobicContact CG1-CG 4.33Å |
| 230 | Q | 49.9 | Very low | 49.6 | Very low | 132 Ų | 132 | 112.2 Ų | 112.2 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | trans | -108.2 | 128.5 | 175.3 | -72.7 | 178.9 | 22.8 | 0 | 0 | 110.2 | I228 T242 | I228-Q230 HydrophobicContact CG2-CG 3.8Å; Q230-T242 PolarHBondContact O-OG1 3.27Å | ||
| 231 | S | 53.4 | Low | 48.1 | Very low | 81 Ų | 81 | 111.3 Ų | 111.3 | 57% | 0.566 | 63% | 0.632 | S | S | * | * | trans | -107.3 | 126.1 | 173.4 | -171.2 | 0 | 0 | 0 | 0 | 109.3 | Y241 | S231-Y241 WeakPolarHBondContact CB-O 3.29Å; S231-Y241 PolarHBondContact OG-O 3.25Å | ||
| 232 | T | 55.2 | Low | 46.5 | Very low | 107 Ų | 107 | 108.9 Ų | 108.9 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | trans | -95.4 | 2.1 | -170.8 | 33.4 | 0 | 0 | 0 | 0 | 114.3 | S243 | T232-S243 PolarHBondContact OG1-OG 3.25Å; T232-S243 VanDerWaalsContact OG1-OG 3.12Å | ||
| 233 | S | 47.9 | Very low | 45.3 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -148.2 | 118.4 | 178 | 63.6 | 0 | 0 | 0 | 0 | 115 | ||
| 234 | G | 38.7 | Very low | 44 | Very low | 74 Ų | 74 | 109 Ų | 109 | 76% | 0.763 | 60% | 0.604 | S | S | * | * | trans | 89.8 | 114 | 138.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | G236 | G234-G236 PolarHBondContact O-N 2.89Å; G234-G236 VanDerWaalsContact O-N 3.1Å | ||
| 235 | L | 39 | Very low | 43.2 | Very low | 195 Ų | 195 | 105 Ų | 105 | 100% | 1.021 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -50.5 | 112.8 | 156.7 | -102 | 102.8 | 0 | 0 | 0 | 109.8 | ||
| 236 | G | 32.8 | Very low | 42.1 | Very low | 60 Ų | 60 | 100.6 Ų | 100.6 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 142.6 | 112.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G234 | G234-G236 PolarHBondContact O-N 2.89Å; G234-G236 VanDerWaalsContact O-N 3.1Å |
| 237 | T | 32.5 | Very low | 41.6 | Very low | 137 Ų | 137 | 96.5 Ų | 96.5 | 84% | 0.84 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 62.1 | 103 | 159.2 | 35.2 | 0 | 0 | 0 | 0 | 118.3 | S239 | T237-S239 PolarHBondContact O-N 2.87Š|
| 238 | R | 36.1 | Very low | 40.3 | Very low | 250 Ų | 250 | 93.8 Ų | 93.8 | 94% | 0.943 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 23.4 | 82.7 | 140.3 | -77.4 | -176.5 | 167.3 | -152.1 | -3.2 | 116.5 | ||
| 239 | S | 31.9 | Very low | 39.4 | Very low | 73 Ų | 73 | 90.9 Ų | 90.9 | 51% | 0.51 | 52% | 0.517 | S | S | . | . | trans | -166.6 | 136.9 | 137.8 | -83.1 | 0 | 0 | 0 | 0 | 107.2 | T237 Y241 | T237-S239 PolarHBondContact O-N 2.87Å; S239-Y241 VanDerWaalsContact C-N 3.31Å; S239-Y241 VanDerWaalsContact O-CD2 3.24Å; S239-Y241 WeakPolarHBondContact O-CD2 3.27Å; S239-Y241 PolarHBondContact O-N 3.37Å | ||
| 240 | F | 35.4 | Very low | 37.9 | Very low | 198 Ų | 198 | 89.6 Ų | 89.6 | 87% | 0.868 | 52% | 0.515 | S | S | * | . | trans | -72 | 89.6 | 177.4 | -68.9 | -89.4 | 0 | 0 | 0 | 108.5 | ||||
| 241 | Y | 31.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 86.6 Ų | 86.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | trans | -90.2 | 98.2 | 167.3 | -59 | -80 | 0 | 0 | 0 | 107.1 | S231 S239 | S231-Y241 WeakPolarHBondContact CB-O 3.29Å; S231-Y241 PolarHBondContact OG-O 3.25Å; S239-Y241 VanDerWaalsContact C-N 3.31Å; S239-Y241 VanDerWaalsContact O-CD2 3.24Å; S239-Y241 WeakPolarHBondContact O-CD2 3.27Å; S239-Y241 PolarHBondContact O-N 3.37Å | ||
| 242 | T | 34.1 | Very low | 36.2 | Very low | 19 Ų | 19 | 89.8 Ų | 89.8 | 12% | 0.117 | 50% | 0.504 | C | S | . | . | trans | -107.8 | 128.9 | 165.4 | 174.2 | 0 | 0 | 0 | 0 | 108.3 | Q230 T244 I245 | Q230-T242 PolarHBondContact O-OG1 3.27Å; T242-T244 VanDerWaalsContact C-N 3.29Å; T242-T244 PolarHBondContact OG1-N 2.86Å; T242-T244 PolarHBondContact OG1-O 3.43Å; T242-I245 HydrophobicContact CG2-CD1 3.71Å; T242-I245 HydrophobicContact CG2-CG1 3.42Å; T242-I245 VanDerWaalsContact CG2-CG1 3.42Å | ||
| 243 | S | 32.5 | Very low | 35 | Very low | 36 Ų | 36 | 89.6 Ų | 89.6 | 25% | 0.252 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -77.6 | -19.1 | 174.2 | 53 | 0 | 0 | 0 | 0 | 111.7 | T232 | T232-S243 PolarHBondContact OG1-OG 3.25Å; T232-S243 VanDerWaalsContact OG1-OG 3.12Å |
| 244 | T | 31.9 | Very low | 34 | Very low | 59 Ų | 59 | 95 Ų | 95 | 36% | 0.362 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 117.7 | -174.6 | -47.8 | 0 | 0 | 0 | 0 | 109.9 | T242 | T242-T244 VanDerWaalsContact C-N 3.29Å; T242-T244 PolarHBondContact OG1-N 2.86Å; T242-T244 PolarHBondContact OG1-O 3.43Å |
| 245 | I | 43 | Very low | 33.7 | Very low | 25 Ų | 25 | 98.9 Ų | 98.9 | 13% | 0.128 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.3 | 168.7 | -60 | 173 | 0 | 0 | 0 | 106.5 | M204 L212 T242 L247 | M204-I245 PolarHBondContact N-O 2.83Å; L212-I245 HydrophobicContact CD1-CD1 3.67Å; L212-I245 HydrophobicContact CG-CD1 4.5Å; T242-I245 HydrophobicContact CG2-CD1 3.71Å; T242-I245 HydrophobicContact CG2-CG1 3.42Å; T242-I245 VanDerWaalsContact CG2-CG1 3.42Å; I245-L247 HydrophobicContact CG2-CD1 4.29Å; I245-L247 HydrophobicContact CG2-CD2 4.39Å; I245-L247 HydrophobicContact CG2-CG 3.97Å |
| 246 | S | 35.3 | Very low | 33.2 | Very low | 49 Ų | 49 | 94.5 Ų | 94.5 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.3 | 171.3 | -67.1 | 0 | 0 | 0 | 0 | 108.2 | ||
| 247 | L | 40.3 | Very low | 33.6 | Very low | 46 Ų | 46 | 99.6 Ų | 99.6 | 24% | 0.241 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.6 | 174.8 | -64.1 | 169.5 | 0 | 0 | 0 | 108.2 | S201 V202 A221 V227 I245 | S201-L247 WeakPolarHBondContact CA-O 3.34Å; S201-L247 WeakPolarHBondContact CB-O 3.29Å; V202-L247 PolarHBondContact O-N 3.42Å; A221-L247 HydrophobicContact CB-CD2 4.46Å; V227-L247 HydrophobicContact CG1-CD2 3.96Å; V227-L247 HydrophobicContact CG2-CD2 4.09Å; I245-L247 HydrophobicContact CG2-CD1 4.29Å; I245-L247 HydrophobicContact CG2-CD2 4.39Å; I245-L247 HydrophobicContact CG2-CG 3.97Å |
| 248 | G | 30.5 | Very low | 33.6 | Very low | 13 Ų | 13 | 98.9 Ų | 98.9 | 13% | 0.134 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 150.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S223 | S223-G248 VanDerWaalsContact CA-O 3.29Å; S223-G248 WeakPolarHBondContact CA-O 3.47Å; S223-G248 VanDerWaalsContact CB-O 3.29Å; S223-G248 WeakPolarHBondContact CB-O 3.37Å; S223-G248 VanDerWaalsContact OG-C 3.26Å; S223-G248 WeakPolarHBondContact OG-CA 3.44Å; S223-G248 PolarHBondContact OG-N 3.19Å; S223-G248 VanDerWaalsContact OG-N 3.16Å; S223-G248 PolarHBondContact OG-O 2.89Å |
| 249 | C | 36.6 | Very low | 33.4 | Very low | 31 Ų | 31 | 90.7 Ų | 90.7 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | trans | -98.2 | 135.5 | -162.3 | -63.6 | 0 | 0 | 0 | 0 | 115 | C197 R200 N224 | C197-C249 VanDerWaalsContact CB-SG 3.57Å; C197-C249 WeakPolarHBondContact O-CB 3.42Å; C197-C249 PolarHBondContact O-SG 3.3Å; R200-C249 PolarHBondContact O-SG 3.35Å; N224-C249 WeakPolarHBondContact CB-O 3.28Å | ||
| 250 | T | 27.5 | Very low | 33.6 | Very low | 89 Ų | 89 | 92 Ų | 92 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | -168.4 | 138.5 | 104.5 | 61.9 | 0 | 0 | 0 | 0 | 107.4 | N224 | N224-T250 HydrophobicContact CB-CG2 4.45Å; N224-T250 VanDerWaalsContact CB-N 3.32Å; N224-T250 WeakPolarHBondContact CB-OG1 3.29Å; N224-T250 VanDerWaalsContact CG-OG1 3.23Å; N224-T250 PolarHBondContact ND2-OG1 3.28Å | |||
| 251 | W | 42.7 | Very low | 33.3 | Very low | 68 Ų | 68 | 93.8 Ų | 93.8 | 26% | 0.258 | 51% | 0.506 | S | S | . | . | trans | -143.4 | 154.6 | 174.4 | 57.4 | -101.4 | 0 | 0 | 0 | 112.2 | K194 E196 L253 | K194-W251 HydrophobicContact CD-CH2 3.2Å; K194-W251 HydrophobicContact CD-CZ2 3.54Å; K194-W251 HydrophobicContact CD-CZ3 4.05Å; K194-W251 HydrophobicContact CG-CH2 3.84Å; K194-W251 HydrophobicContact CG-CZ2 3.64Å; E196-W251 HydrophobicContact CB-CH2 4.35Å; E196-W251 HydrophobicContact CB-CZ2 3.56Å; E196-W251 HydrophobicContact CG-CH2 3.98Å; E196-W251 HydrophobicContact CG-CZ2 3.3Å; E196-W251 WeakPolarHBondContact OE2-CH2 3.32Å; E196-W251 VanDerWaalsContact OE2-CZ2 3.27Å; E196-W251 WeakPolarHBondContact OE2-CZ2 3.29Å; W251-L253 HydrophobicContact CE3-CB 4.13Å; W251-L253 HydrophobicContact CE3-CD1 3.95Å; W251-L253 HydrophobicContact CE3-CG 3.88Å; W251-L253 HydrophobicContact CZ3-CB 4.28Å; W251-L253 HydrophobicContact CZ3-CD1 4.21Å; W251-L253 HydrophobicContact CZ3-CG 4.39Å | ||
| 252 | E | 24.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 95.4 Ų | 95.4 | 70% | 0.696 | 52% | 0.523 | S | S | * | . | trans | -132.8 | 107.3 | 172.8 | -162.9 | -176.7 | 171.9 | 0 | 0 | 105.9 | R254 | E252-R254 IonicContact OE1-CZ 2.68Å; E252-R254 IonicContact OE1-NH2 2.74Å; E252-R254 PolarHBondContact OE1-NH2 2.88Å | ||
| 253 | L | 30.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | trans | -91.9 | 105.5 | 179.2 | -84.1 | 164.8 | 0 | 0 | 0 | 108.5 | W251 | W251-L253 HydrophobicContact CE3-CB 4.13Å; W251-L253 HydrophobicContact CE3-CD1 3.95Å; W251-L253 HydrophobicContact CE3-CG 3.88Å; W251-L253 HydrophobicContact CZ3-CB 4.28Å; W251-L253 HydrophobicContact CZ3-CD1 4.21Å; W251-L253 HydrophobicContact CZ3-CG 4.39Å | ||
| 254 | R | 26.9 | Very low | 32.5 | Very low | 199 Ų | 199 | 110.2 Ų | 110.2 | 75% | 0.751 | 58% | 0.584 | S | S | * | * | trans | -115.2 | 119.3 | 171.3 | -157.7 | 179.6 | -65.6 | -106.1 | 1.3 | 107.8 | E252 | E252-R254 IonicContact OE1-CZ 2.68Å; E252-R254 IonicContact OE1-NH2 2.74Å; E252-R254 PolarHBondContact OE1-NH2 2.88Å | ||
| 255 | H | 32.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | trans | -73.3 | 129.1 | 172.9 | -84.7 | -90.9 | 0 | 0 | 0 | 110.5 | ||||
| 256 | S | 28.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | trans | -104.5 | 108.3 | 157.1 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | T258 | S256-T258 PolarHBondContact O-N 2.82Š| ||
| 257 | L | 40.3 | Very low | 31.5 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | trans | -76.8 | 88.7 | 170.9 | -84.7 | 150.7 | 0 | 0 | 0 | 109.2 | ||||
| 258 | T | 32.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | trans | -158.6 | 118.5 | 157.3 | 41.2 | 0 | 0 | 0 | 0 | 111.8 | S256 | S256-T258 PolarHBondContact O-N 2.82Š| ||
| 259 | G | 31.1 | Very low | 30.9 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | trans | 80.4 | 115.8 | 137.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | R261 | G259-R261 PolarHBondContact O-N 3.3Š| ||
| 260 | A | 36.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -40.4 | 126.8 | 164 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 261 | R | 30.5 | Very low | 30.7 | Very low | 236 Ų | 236 | 138.5 Ų | 138.5 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | trans | -170.8 | 136.4 | 150.1 | -102.3 | 150.8 | -171.1 | -151.8 | 2.4 | 110.8 | G259 | G259-R261 PolarHBondContact O-N 3.3Š| ||
| 262 | L | 28.6 | Very low | 30.3 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | 11.4 | 125.7 | 159.9 | -79.3 | 130.4 | 0 | 0 | 0 | 118.3 | Q264 | L262-Q264 PolarHBondContact O-N 3.37Å; L262-Q264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | F | 27.6 | Very low | 30.5 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | trans | -41.1 | 113.1 | 155.9 | -66.3 | -85.5 | 0 | 0 | 0 | 110.9 | ||||
| 264 | Q | 25.3 | Very low | 30.5 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -125.3 | 103.6 | 163.9 | -168 | 173.6 | -8.9 | 0 | 0 | 107.1 | L262 V266 | L262-Q264 PolarHBondContact O-N 3.37Å; L262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-V266 VanDerWaalsContact C-N 3.31Å; Q264-V266 HydrophobicContact CB-CG2 4.44Å; Q264-V266 HydrophobicContact CG-CG2 3.79Å; Q264-V266 PolarHBondContact O-N 2.84Å | ||
| 265 | L | 28.6 | Very low | 30.6 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -74.9 | 90.6 | 170.6 | -134.4 | 150 | 0 | 0 | 0 | 106 | L267 | L265-L267 HydrophobicContact CD2-CD1 4.15Å; L265-L267 HydrophobicContact CD2-CD2 4.21Å; L265-L267 HydrophobicContact CD2-CG 3.87Å; L265-L267 PolarHBondContact O-N 2.83Å | ||
| 266 | V | 27.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 138 Ų | 138 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | trans | -80.9 | 98.2 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 107.1 | Q264 D268 | Q264-V266 VanDerWaalsContact C-N 3.31Å; Q264-V266 HydrophobicContact CB-CG2 4.44Å; Q264-V266 HydrophobicContact CG-CG2 3.79Å; Q264-V266 PolarHBondContact O-N 2.84Å; V266-D268 PolarHBondContact O-N 2.86Å | ||
| 267 | L | 31.1 | Very low | 30.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 57% | 0.565 | 76% | 0.756 | S | S | * | * | trans | -85.1 | 90.1 | 167.6 | -73.1 | 155.2 | 0 | 0 | 0 | 107.2 | L265 A269 V272 | L265-L267 HydrophobicContact CD2-CD1 4.15Å; L265-L267 HydrophobicContact CD2-CD2 4.21Å; L265-L267 HydrophobicContact CD2-CG 3.87Å; L265-L267 PolarHBondContact O-N 2.83Å; L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.48Å; L267-V272 HydrophobicContact CB-CG2 4.25Å | ||
| 268 | D | 28.9 | Very low | 30.5 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -83.7 | 84.4 | 168.5 | -161.5 | 11.4 | 0 | 0 | 0 | 108 | V266 | V266-D268 PolarHBondContact O-N 2.86Š| ||
| 269 | A | 30.3 | Very low | 30.7 | Very low | 56 Ų | 56 | 140.4 Ų | 140.4 | 46% | 0.463 | 76% | 0.761 | S | S | . | * | trans | -134.6 | 130.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L267 T271 V272 | L267-A269 VanDerWaalsContact C-N 3.33Å; L267-A269 PolarHBondContact O-N 3.48Å; A269-T271 PolarHBondContact O-N 3.38Å; A269-V272 HydrophobicContact CB-CG2 3.76Å | ||
| 270 | E | 34.4 | Very low | 30.7 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 95% | 0.949 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -17.1 | -172.5 | -150.9 | 171.3 | -171.6 | 0 | 0 | 113.1 | ||
| 271 | T | 26.4 | Very low | 30.6 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.6 | 99.9 | 164.2 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | A269 | A269-T271 PolarHBondContact O-N 3.38Š|
| 272 | V | 32.8 | Very low | 31.4 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 44% | 0.436 | 76% | 0.76 | S | S | . | * | trans | -96.1 | 99.2 | 162 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | L267 A269 M274 | L267-V272 HydrophobicContact CB-CG2 4.25Å; A269-V272 HydrophobicContact CB-CG2 3.76Å; V272-M274 HydrophobicContact CG1-CE 4.03Å; V272-M274 HydrophobicContact CG1-CG 4.3Å | ||
| 273 | R | 28.8 | Very low | 31.6 | Very low | 228 Ų | 228 | 135.3 Ų | 135.3 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -96.5 | 115.7 | 170.3 | -75.8 | -170 | 179.6 | -161.9 | 1.5 | 109.9 | ||||
| 274 | M | 31.3 | Very low | 32.1 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -115.4 | 90.7 | 167.1 | -69.9 | -167.2 | -100.9 | 0 | 0 | 109.7 | V272 | V272-M274 HydrophobicContact CG1-CE 4.03Å; V272-M274 HydrophobicContact CG1-CG 4.3Å | ||
| 275 | P | 29.5 | Very low | 33.2 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -81.8 | 133 | 170.3 | 19.7 | -7.8 | 0 | 0 | 0 | 110.6 | ||||
| 276 | S | 34.9 | Very low | 33.7 | Very low | 116 Ų | 116 | 125.1 Ų | 125.1 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | 70 | 78.3 | 169.2 | -53.7 | 0 | 0 | 0 | 0 | 117.1 | P278 | S276-P278 WeakPolarHBondContact O-CD 3.16Š| ||
| 277 | L | 30.8 | Very low | 34.3 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | -93.4 | 113.4 | 162.3 | -74.5 | 161.7 | 0 | 0 | 0 | 110.3 | ||||
| 278 | P | 32.5 | Very low | 35.1 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 132.9 | 166.4 | 28.9 | -29.3 | 0 | 0 | 0 | 111.6 | S276 | S276-P278 WeakPolarHBondContact O-CD 3.16Š|
| 279 | L | 37.2 | Very low | 36 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.2 | 173.6 | -129.7 | 91.6 | 0 | 0 | 0 | 110.6 | ||
| 280 | S | 31.1 | Very low | 36.8 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 119.6 | 171.9 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 281 | K | 34.1 | Very low | 37.5 | Very low | 199 Ų | 199 | 124.3 Ų | 124.3 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.8 | 165 | -87.7 | -179.3 | 173.5 | 177.7 | 0 | 110.4 | ||
| 282 | G | 47.6 | Very low | 39 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 81% | 0.814 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 283 | G | 33 | Very low | 40.4 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 137.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 284 | V | 37.1 | Very low | 41.6 | Very low | 141 Ų | 141 | 116.6 Ų | 116.6 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 158.4 | -164.1 | 169.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 285 | S | 49.4 | Very low | 43.3 | Very low | 92 Ų | 92 | 110.6 Ų | 110.6 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 151.5 | -178.9 | -172.9 | 0 | 0 | 0 | 0 | 115 | ||
| 286 | G | 38.2 | Very low | 44.7 | Very low | 72 Ų | 72 | 110.3 Ų | 110.3 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | trans | 144.3 | 127.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 287 | N | 41.7 | Very low | 46.1 | Very low | 136 Ų | 136 | 105.6 Ų | 105.6 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | cis | -156 | 107.5 | 10.1 | -161.6 | 15.7 | 0 | 0 | 0 | 106.2 | ||||
| 288 | T | 46.9 | Very low | 47.3 | Very low | 87 Ų | 87 | 108.8 Ų | 108.8 | 53% | 0.534 | 64% | 0.643 | S | S | . | * | trans | -100.8 | 76 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 289 | Q | 46.8 | Very low | 48.5 | Very low | 144 Ų | 144 | 107 Ų | 107 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | trans | -98.9 | 122.3 | 161 | -67.4 | -175.3 | -18.4 | 0 | 0 | 106.3 | ||||
| 290 | D | 48.2 | Very low | 49.6 | Very low | 135 Ų | 135 | 101.4 Ų | 101.4 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 88.6 | 35.2 | 173.6 | -50.2 | -21.5 | 0 | 0 | 0 | 119.3 | ||
| 291 | L | 49.9 | Very low | 50.6 | Low | 113 Ų | 113 | 103.3 Ų | 103.3 | 59% | 0.592 | 61% | 0.612 | S | S | * | * | trans | -114 | 123.1 | 161 | -86.8 | 148.2 | 0 | 0 | 0 | 110 | A307 | L291-A307 HydrophobicContact CB-CB 4.06Å; L291-A307 VanDerWaalsContact O-CB 3.29Å; L291-A307 WeakPolarHBondContact O-CB 3.37Å; L291-A307 PolarHBondContact O-N 2.83Å | ||
| 292 | F | 58 | Low | 51.8 | Low | 126 Ų | 126 | 99.6 Ų | 99.6 | 55% | 0.553 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.5 | 174.2 | -61.6 | -90 | 0 | 0 | 0 | 109.6 | L304 S305 | F292-L304 HydrophobicContact CB-CD2 3.8Å; F292-L304 HydrophobicContact CD1-CD2 4.48Å; F292-L304 HydrophobicContact CG-CD2 4.17Å; F292-S305 CarbonylContact C-O 3.54Å; F292-S305 VanDerWaalsContact CA-O 3.29Å; F292-S305 WeakPolarHBondContact CA-O 3.29Å |
| 293 | E | 61.9 | Low | 52.7 | Low | 42 Ų | 42 | 98.3 Ų | 98.3 | 20% | 0.196 | 57% | 0.573 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 140.2 | 171.8 | 59.9 | -175.1 | 174.1 | 0 | 0 | 109.7 | L304 S305 A307 T312 | E293-L304 WeakPolarHBondContact O-CA 3.28Å; E293-S305 PolarHBondContact N-O 3.27Å; E293-S305 PolarHBondContact O-N 3.23Å; E293-A307 HydrophobicContact CB-CB 4.42Å; E293-A307 HydrophobicContact CG-CB 4.41Å; E293-T312 WeakPolarHBondContact OE1-CA 3.44Å; E293-T312 WeakPolarHBondContact OE1-CB 3.45Å; E293-T312 PolarHBondContact OE1-N 3.48Å; E293-T312 PolarHBondContact OE1-OG1 2.92Å |
| 294 | V | 54.2 | Low | 54 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 115 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | L302 L304 | V294-L302 HydrophobicContact CG1-CD2 3.95Å; V294-L304 HydrophobicContact CG2-CG 4.22Å |
| 295 | C | 66.2 | Low | 55.3 | Low | 5 Ų | 5 | 95.2 Ų | 95.2 | 3% | 0.034 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.4 | -177.3 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | L302 F303 C313 | C295-L302 WeakPolarHBondContact O-CA 2.93Å; C295-F303 HydrophobicContact CB-CD1 4.08Å; C295-F303 HydrophobicContact CB-CD2 4.25Å; C295-F303 HydrophobicContact CB-CE1 3.58Å; C295-F303 HydrophobicContact CB-CE2 3.78Å; C295-F303 HydrophobicContact CB-CG 4.4Å; C295-F303 HydrophobicContact CB-CZ 3.43Å; C295-F303 VanDerWaalsContact CB-CZ 3.43Å; C295-F303 PolarHBondContact N-O 3.15Å; C295-F303 PolarHBondContact O-N 2.83Å; C295-F303 VanDerWaalsContact O-N 3.09Å; C295-C313 HydrophobicContact CB-CB 3.72Å; C295-C313 WeakPolarHBondContact CB-SG 3.48Å; C295-C313 WeakPolarHBondContact SG-CA 3.36Å; C295-C313 WeakPolarHBondContact SG-CB 3.26Å; C295-C313 CovalentContact SG-SG 2.04Å; C295-C313 PolarHBondContact SG-SG 2.71Å |
| 296 | V | 59.7 | Low | 56.1 | Low | 107 Ų | 107 | 97.1 Ų | 97.1 | 65% | 0.648 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.9 | 178.6 | -161.4 | 0 | 0 | 0 | 0 | 109.3 | L302 | V296-L302 HydrophobicContact CB-CD2 4Å; V296-L302 HydrophobicContact CG1-CD2 3.88Å; V296-L302 HydrophobicContact CG2-CD2 3.45Å; V296-L302 VanDerWaalsContact CG2-CD2 3.45Å |
| 297 | C | 63.3 | Low | 57 | Low | 18 Ų | 18 | 94.9 Ų | 94.9 | 12% | 0.122 | 51% | 0.507 | C | S | . | . | trans | -80.6 | 154.3 | 179.2 | -143.2 | 0 | 0 | 0 | 0 | 111 | S299 G300 K301 C319 | C297-S299 PolarHBondContact O-N 3.34Å; C297-G300 PolarHBondContact O-N 3.47Å; C297-K301 WeakPolarHBondContact CB-O 3.29Å; C297-K301 PolarHBondContact N-O 3.46Å; C297-C319 HydrophobicContact CB-CB 4.34Å; C297-C319 WeakPolarHBondContact CB-SG 3.23Å; C297-C319 WeakPolarHBondContact SG-CA 3.41Å; C297-C319 WeakPolarHBondContact SG-CB 3.24Å; C297-C319 CovalentContact SG-SG 2.02Å; C297-C319 PolarHBondContact SG-SG 2.83Å | ||
| 298 | H | 55.6 | Low | 57.7 | Low | 211 Ų | 211 | 90.3 Ų | 90.3 | 98% | 0.977 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.9 | 175.3 | -137.8 | 90 | 0 | 0 | 0 | 113 | ||
| 299 | S | 58.9 | Low | 58.1 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.8 | 172.9 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | C297 | C297-S299 PolarHBondContact O-N 3.34Š|
| 300 | G | 59.9 | Low | 58.5 | Low | 58 Ų | 58 | 94.2 Ų | 94.2 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 84 | 2.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | C297 | C297-G300 PolarHBondContact O-N 3.47Š|
| 301 | K | 52.1 | Low | 58.9 | Low | 157 Ų | 157 | 91.6 Ų | 91.6 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | trans | -79.8 | 140.5 | 173.6 | -69.1 | -177.8 | -179.3 | 176.9 | 0 | 111.2 | C297 | C297-K301 WeakPolarHBondContact CB-O 3.29Å; C297-K301 PolarHBondContact N-O 3.46Å | ||
| 302 | L | 58.1 | Low | 59.4 | Low | 120 Ų | 120 | 87.6 Ų | 87.6 | 63% | 0.628 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.9 | 179.6 | -69.3 | 157.7 | 0 | 0 | 0 | 109.6 | V294 C295 V296 | V294-L302 HydrophobicContact CG1-CD2 3.95Å; C295-L302 WeakPolarHBondContact O-CA 2.93Å; V296-L302 HydrophobicContact CB-CD2 4Å; V296-L302 HydrophobicContact CG1-CD2 3.88Å; V296-L302 HydrophobicContact CG2-CD2 3.45Å; V296-L302 VanDerWaalsContact CG2-CD2 3.45Å |
| 303 | F | 68 | Low | 59.6 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 23% | 0.228 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 154.9 | 173.5 | 67.9 | -85.7 | 0 | 0 | 0 | 111.7 | C295 C319 | C295-F303 HydrophobicContact CB-CD1 4.08Å; C295-F303 HydrophobicContact CB-CD2 4.25Å; C295-F303 HydrophobicContact CB-CE1 3.58Å; C295-F303 HydrophobicContact CB-CE2 3.78Å; C295-F303 HydrophobicContact CB-CG 4.4Å; C295-F303 HydrophobicContact CB-CZ 3.43Å; C295-F303 VanDerWaalsContact CB-CZ 3.43Å; C295-F303 PolarHBondContact N-O 3.15Å; C295-F303 PolarHBondContact O-N 2.83Å; C295-F303 VanDerWaalsContact O-N 3.09Å; F303-C319 HydrophobicContact CE1-CB 4.3Å; F303-C319 WeakPolarHBondContact CE1-SG 3.22Å |
| 304 | L | 60.7 | Low | 59.5 | Low | 123 Ų | 123 | 86.6 Ų | 86.6 | 64% | 0.644 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.9 | 175.2 | -84.4 | 90.7 | 0 | 0 | 0 | 110.4 | F292 E293 V294 | F292-L304 HydrophobicContact CB-CD2 3.8Å; F292-L304 HydrophobicContact CD1-CD2 4.48Å; F292-L304 HydrophobicContact CG-CD2 4.17Å; E293-L304 WeakPolarHBondContact O-CA 3.28Å; V294-L304 HydrophobicContact CG2-CG 4.22Å |
| 305 | S | 63.9 | Low | 59.6 | Low | 23 Ų | 23 | 90.2 Ų | 90.2 | 16% | 0.161 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 154.5 | 168.6 | -167.9 | 0 | 0 | 0 | 0 | 111 | F292 E293 T312 | F292-S305 CarbonylContact C-O 3.54Å; F292-S305 VanDerWaalsContact CA-O 3.29Å; F292-S305 WeakPolarHBondContact CA-O 3.29Å; E293-S305 PolarHBondContact N-O 3.27Å; E293-S305 PolarHBondContact O-N 3.23Å; S305-T312 PolarHBondContact OG-OG1 3.02Å |
| 306 | K | 65.9 | Low | 58.9 | Low | 132 Ų | 132 | 94.6 Ų | 94.6 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120.7 | 176.8 | -170.6 | 171.6 | -176.9 | 173.5 | 0 | 109 | G308 T312 | K306-G308 PolarHBondContact O-N 2.65Å; K306-T312 PolarHBondContact O-OG1 2.8Å |
| 307 | A | 57.2 | Low | 58.5 | Low | 24 Ų | 24 | 98.3 Ų | 98.3 | 20% | 0.198 | 53% | 0.534 | C | S | . | . | trans | -69.2 | 124.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L291 E293 | L291-A307 HydrophobicContact CB-CB 4.06Å; L291-A307 VanDerWaalsContact O-CB 3.29Å; L291-A307 WeakPolarHBondContact O-CB 3.37Å; L291-A307 PolarHBondContact O-N 2.83Å; E293-A307 HydrophobicContact CB-CB 4.42Å; E293-A307 HydrophobicContact CG-CB 4.41Å | ||
| 308 | G | 56.9 | Low | 58 | Low | 41 Ų | 41 | 105.3 Ų | 105.3 | 42% | 0.423 | 57% | 0.57 | S | S | . | * | trans | -100.2 | -169.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K306 T310 | K306-G308 PolarHBondContact O-N 2.65Å; G308-T310 PolarHBondContact O-N 2.65Å | ||
| 309 | R | 55.1 | Low | 57.8 | Low | 198 Ų | 198 | 99.7 Ų | 99.7 | 75% | 0.747 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -67.9 | -16.7 | 174.3 | -84 | -179.1 | 167.9 | -177.3 | -8.9 | 113.6 | ||
| 310 | T | 54.4 | Low | 57.7 | Low | 114 Ų | 114 | 100.4 Ų | 100.4 | 70% | 0.699 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -136.9 | 155.9 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 107.5 | G308 T312 | G308-T310 PolarHBondContact O-N 2.65Å; T310-T312 PolarHBondContact O-N 2.75Å; T310-T312 VanDerWaalsContact O-N 3.15Å |
| 311 | S | 56.4 | Low | 57.6 | Low | 81 Ų | 81 | 102.6 Ų | 102.6 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | trans | -58.3 | 120.9 | 179.7 | 62 | 0 | 0 | 0 | 0 | 110.3 | C313 | S311-C313 VanDerWaalsContact C-N 3.3Š| ||
| 312 | T | 61.6 | Low | 57.9 | Low | 28 Ų | 28 | 99.6 Ų | 99.6 | 17% | 0.172 | 54% | 0.541 | C | S | . | . | trans | -89.5 | 2.4 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112.5 | E293 S305 K306 T310 S314 E315 | E293-T312 WeakPolarHBondContact OE1-CA 3.44Å; E293-T312 WeakPolarHBondContact OE1-CB 3.45Å; E293-T312 PolarHBondContact OE1-N 3.48Å; E293-T312 PolarHBondContact OE1-OG1 2.92Å; S305-T312 PolarHBondContact OG-OG1 3.02Å; K306-T312 PolarHBondContact O-OG1 2.8Å; T310-T312 PolarHBondContact O-N 2.75Å; T310-T312 VanDerWaalsContact O-N 3.15Å; T312-S314 PolarHBondContact O-N 2.87Å; T312-E315 PolarHBondContact O-N 2.81Å | ||
| 313 | C | 62 | Low | 57.9 | Low | 42 Ų | 42 | 98.4 Ų | 98.4 | 28% | 0.284 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -16.8 | 179.3 | -65.5 | 0 | 0 | 0 | 0 | 114.9 | C295 S311 | C295-C313 HydrophobicContact CB-CB 3.72Å; C295-C313 WeakPolarHBondContact CB-SG 3.48Å; C295-C313 WeakPolarHBondContact SG-CA 3.36Å; C295-C313 WeakPolarHBondContact SG-CB 3.26Å; C295-C313 CovalentContact SG-SG 2.04Å; C295-C313 PolarHBondContact SG-SG 2.71Å; S311-C313 VanDerWaalsContact C-N 3.3Å |
| 314 | S | 59.6 | Low | 57.3 | Low | 106 Ų | 106 | 101.3 Ų | 101.3 | 74% | 0.741 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -4.1 | 179.8 | 55 | 0 | 0 | 0 | 0 | 114.5 | T312 | T312-S314 PolarHBondContact O-N 2.87Š|
| 315 | E | 56.7 | Low | 57 | Low | 167 Ų | 167 | 99.8 Ų | 99.8 | 78% | 0.78 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -97.2 | -3.7 | -169.2 | -131.6 | 172.7 | -168.4 | 0 | 0 | 113.8 | T312 | T312-E315 PolarHBondContact O-N 2.81Š|
| 316 | N | 50.2 | Low | 56.6 | Low | 97 Ų | 97 | 105.3 Ų | 105.3 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | trans | -112.4 | 117 | -176.2 | -139.6 | -0 | 0 | 0 | 0 | 111.4 | D318 C319 | N316-D318 PolarHBondContact O-N 3.08Å; N316-D318 VanDerWaalsContact O-N 3.08Å; N316-C319 PolarHBondContact O-N 3.37Å | ||
| 317 | Q | 52.6 | Low | 55.8 | Low | 185 Ų | 185 | 103.2 Ų | 103.2 | 86% | 0.864 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 5.9 | -161 | -127.6 | 170.9 | 11.5 | 0 | 0 | 116.2 | C319 | Q317-C319 VanDerWaalsContact C-N 3.32Š|
| 318 | D | 51.5 | Low | 55.7 | Low | 165 Ų | 165 | 109.8 Ų | 109.8 | 88% | 0.882 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 14.9 | 173 | -71.3 | -35.5 | 0 | 0 | 0 | 112.7 | N316 | N316-D318 PolarHBondContact O-N 3.08Å; N316-D318 VanDerWaalsContact O-N 3.08Å |
| 319 | C | 51.8 | Low | 55.6 | Low | 94 Ų | 94 | 116.1 Ų | 116.1 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | trans | -137.3 | 0 | 162 | -81 | 0 | 0 | 0 | 0 | 108.5 | C297 F303 N316 Q317 | C297-C319 HydrophobicContact CB-CB 4.34Å; C297-C319 WeakPolarHBondContact CB-SG 3.23Å; C297-C319 WeakPolarHBondContact SG-CA 3.41Å; C297-C319 WeakPolarHBondContact SG-CB 3.24Å; C297-C319 CovalentContact SG-SG 2.02Å; C297-C319 PolarHBondContact SG-SG 2.83Å; F303-C319 HydrophobicContact CE1-CB 4.3Å; F303-C319 WeakPolarHBondContact CE1-SG 3.22Å; N316-C319 PolarHBondContact O-N 3.37Å; Q317-C319 VanDerWaalsContact C-N 3.32Å |
Retrieved 319 of 319 residues in 566 ms
(Link to these results)