| 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 | 40.3 | Very low | 41.8 | Very low | 239 Ų | 239 | 153.4 Ų | 153.4 | 100% | 1.177 | 84% | 0.835 | S | S | * | * | 0 | 88.2 | 0 | -66.8 | 168.2 | 167 | 0 | 0 | 105.8 | |||||
| 2 | A | 34.9 | Very low | 42.4 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | cis | 48.3 | 124.4 | 48.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | K | 34.4 | Very low | 42.8 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | cis | -167.2 | 159.1 | 2 | -138 | 174.5 | -175 | 178.9 | 0 | 106.5 | ||||
| 4 | N | 32.5 | Very low | 43.2 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -12 | 159.9 | 165.5 | -62.9 | -23 | 0 | 0 | 0 | 122.2 | ||||
| 5 | P | 48.7 | Very low | 43.6 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -81.1 | 156.2 | 166.6 | 36.4 | -33.3 | 0 | 0 | 0 | 112.4 | ||||
| 6 | P | 48.2 | Very low | 43.9 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -131.6 | 167 | 138.5 | 37.1 | -22.8 | 0 | 0 | 0 | 108.9 | ||||
| 7 | E | 39.2 | Very low | 44.1 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | cis | -166.2 | 142.3 | 10.4 | -127.5 | 162.7 | 173.3 | 0 | 0 | 104.9 | ||||
| 8 | N | 45.7 | Very low | 44.5 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -102.6 | 123.2 | 174.1 | -170.1 | 18.2 | 0 | 0 | 0 | 107.5 | ||||
| 9 | C | 44.6 | Very low | 44.7 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -172.1 | 84.5 | 158.6 | -119.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 10 | E | 44.7 | Very low | 44.8 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -137 | 76.4 | 157.4 | -77.5 | -169.4 | 161.5 | 0 | 0 | 109.1 | ||||
| 11 | D | 46.8 | Very low | 45.1 | Very low | 125 Ų | 125 | 138 Ų | 138 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | -148.5 | 45.2 | 170.3 | -153 | 11.4 | 0 | 0 | 0 | 113.5 | ||||
| 12 | C | 48.6 | Very low | 45.6 | Very low | 98 Ų | 98 | 130 Ų | 130 | 66% | 0.662 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -119.2 | -1.5 | -178.1 | -75.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 13 | H | 47.2 | Very low | 46.5 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -108.2 | -13.5 | -173.3 | -80.2 | -73.4 | 0 | 0 | 0 | 116.2 | ||
| 14 | I | 48.6 | Very low | 47.5 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 62% | 0.621 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -90.4 | -29.3 | -173.5 | -61.2 | 180 | 0 | 0 | 0 | 112.8 | N16 | I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 2.91Å |
| 15 | L | 49.5 | Very low | 48.7 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.7 | -21.4 | -176.4 | -74.1 | 168.8 | 0 | 0 | 0 | 114.9 | A19 | L15-A19 WeakPolarHBondContact O-CB 3.13Å |
| 16 | N | 48.2 | Very low | 49.2 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 60% | 0.604 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -81 | -25.6 | -175 | -75.7 | -36.2 | 0 | 0 | 0 | 113.8 | I14 | I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 2.91Å |
| 17 | A | 47.7 | Very low | 50 | Low | 71 Ų | 71 | 128.5 Ų | 128.5 | 59% | 0.587 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.3 | -34.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 18 | E | 50.7 | Low | 51.2 | Low | 137 Ų | 137 | 123.1 Ų | 123.1 | 64% | 0.64 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.9 | -34.4 | 176.9 | -68.6 | -173.3 | 156.4 | 0 | 0 | 112.3 | F20 K21 S22 | E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 3.31Å; E18-K21 PolarHBondContact O-N 2.79Å; E18-S22 PolarHBondContact O-N 3.22Å; E18-S22 VanDerWaalsContact O-N 3.08Å |
| 19 | A | 48.4 | Very low | 52.4 | Low | 42 Ų | 42 | 121.5 Ų | 121.5 | 35% | 0.347 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.7 | -29.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L15 S22 K23 | L15-A19 WeakPolarHBondContact O-CB 3.13Å; A19-S22 PolarHBondContact O-OG 2.95Å; A19-K23 WeakPolarHBondContact O-CB 3.35Å; A19-K23 WeakPolarHBondContact O-CG 3.48Å; A19-K23 PolarHBondContact O-N 3.31Å |
| 20 | F | 46.8 | Very low | 53.8 | Low | 171 Ų | 171 | 122.8 Ų | 122.8 | 75% | 0.75 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.9 | -35.7 | 177.8 | -101.1 | -87.9 | 0 | 0 | 0 | 113.1 | E18 K24 | E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 3.31Å; F20-K24 PolarHBondContact O-N 3.05Å |
| 21 | K | 50.4 | Low | 55.5 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.4 | -42.3 | 175.3 | -82.6 | 179.8 | 177.3 | 176 | 0 | 111.8 | E18 K23 K24 I25 | E18-K21 PolarHBondContact O-N 2.79Å; K21-K23 PolarHBondContact O-N 3.19Å; K21-K24 PolarHBondContact O-N 2.8Å; K21-I25 WeakPolarHBondContact O-CD1 3.23Å; K21-I25 WeakPolarHBondContact O-CG1 3.21Å; K21-I25 PolarHBondContact O-N 2.87Å |
| 22 | S | 51.2 | Low | 57.1 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.2 | -39.1 | 178.8 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | E18 A19 K24 I25 C26 | E18-S22 PolarHBondContact O-N 3.22Å; E18-S22 VanDerWaalsContact O-N 3.08Å; A19-S22 PolarHBondContact O-OG 2.95Å; S22-K24 VanDerWaalsContact C-N 3.33Å; S22-K24 PolarHBondContact O-N 3.04Å; S22-I25 PolarHBondContact O-N 2.8Å; S22-C26 VanDerWaalsContact O-CB 3.26Å; S22-C26 WeakPolarHBondContact O-CB 3.29Å; S22-C26 PolarHBondContact O-N 2.7Å |
| 23 | K | 54.5 | Low | 58.8 | Low | 146 Ų | 146 | 113 Ų | 113 | 64% | 0.635 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.5 | -36.6 | 174.5 | -89.4 | -179.9 | -178.1 | 175 | 0 | 113.2 | A19 K21 K27 | A19-K23 WeakPolarHBondContact O-CB 3.35Å; A19-K23 WeakPolarHBondContact O-CG 3.48Å; A19-K23 PolarHBondContact O-N 3.31Å; K21-K23 PolarHBondContact O-N 3.19Å; K23-K27 WeakPolarHBondContact O-CG 3.45Å; K23-K27 PolarHBondContact O-N 3.44Å; K23-K27 VanDerWaalsContact O-N 3.09Å |
| 24 | K | 55.2 | Low | 60.7 | Low | 167 Ų | 167 | 110 Ų | 110 | 73% | 0.726 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74 | -40 | -178.5 | -142.4 | 177.1 | -173.7 | -178.2 | 0 | 111.7 | F20 K21 S22 K27 S28 | F20-K24 PolarHBondContact O-N 3.05Å; K21-K24 PolarHBondContact O-N 2.8Å; S22-K24 VanDerWaalsContact C-N 3.33Å; S22-K24 PolarHBondContact O-N 3.04Å; K24-K27 PolarHBondContact O-N 2.75Å; K24-S28 PolarHBondContact O-N 2.95Å |
| 25 | I | 58.8 | Low | 62.6 | Low | 105 Ų | 105 | 108.3 Ų | 108.3 | 54% | 0.538 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -41.1 | 175.6 | -64.7 | 162.6 | 0 | 0 | 0 | 110.6 | K21 S22 K27 S28 L29 | K21-I25 WeakPolarHBondContact O-CD1 3.23Å; K21-I25 WeakPolarHBondContact O-CG1 3.21Å; K21-I25 PolarHBondContact O-N 2.87Å; S22-I25 PolarHBondContact O-N 2.8Å; I25-K27 PolarHBondContact O-N 2.93Å; I25-S28 PolarHBondContact O-N 3.04Å; I25-L29 HydrophobicContact CG2-CD1 4.11Å; I25-L29 PolarHBondContact O-N 3.12Å |
| 26 | C | 59.2 | Low | 64.5 | Low | 65 Ų | 65 | 108.9 Ų | 108.9 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.5 | -37.5 | 175.9 | -165.3 | 0 | 0 | 0 | 0 | 112.3 | S22 K30 | S22-C26 VanDerWaalsContact O-CB 3.26Å; S22-C26 WeakPolarHBondContact O-CB 3.29Å; S22-C26 PolarHBondContact O-N 2.7Å; C26-K30 WeakPolarHBondContact O-CB 3.49Å; C26-K30 WeakPolarHBondContact O-CG 2.98Å; C26-K30 PolarHBondContact O-N 2.96Å |
| 27 | K | 64.1 | Low | 66.4 | Low | 148 Ų | 148 | 105 Ų | 105 | 64% | 0.643 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.8 | -41.9 | 172.3 | -80.8 | -175.4 | 176 | -174 | 0 | 112.5 | K23 K24 I25 K30 I31 | K23-K27 WeakPolarHBondContact O-CG 3.45Å; K23-K27 PolarHBondContact O-N 3.44Å; K23-K27 VanDerWaalsContact O-N 3.09Å; K24-K27 PolarHBondContact O-N 2.75Å; I25-K27 PolarHBondContact O-N 2.93Å; K27-K30 PolarHBondContact O-N 3.14Å; K27-I31 WeakPolarHBondContact O-CD1 3.35Å; K27-I31 WeakPolarHBondContact O-CG1 3.28Å; K27-I31 PolarHBondContact O-N 3.43Å |
| 28 | S | 64.8 | Low | 68.5 | Low | 75 Ų | 75 | 106.1 Ų | 106.1 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -43.4 | 176.2 | 164.9 | 0 | 0 | 0 | 0 | 112.4 | K24 I25 I31 C32 | K24-S28 PolarHBondContact O-N 2.95Å; I25-S28 PolarHBondContact O-N 3.04Å; S28-I31 PolarHBondContact O-N 2.72Å; S28-C32 VanDerWaalsContact O-CB 3.31Å; S28-C32 WeakPolarHBondContact O-CB 3.39Å; S28-C32 PolarHBondContact O-N 3.25Å |
| 29 | L | 70.9 | Confident | 70.5 | Confident | 123 Ų | 123 | 104 Ų | 104 | 64% | 0.644 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 174.7 | -103.6 | 140.3 | 0 | 0 | 0 | 112.5 | I25 C32 G33 | I25-L29 HydrophobicContact CG2-CD1 4.11Å; I25-L29 PolarHBondContact O-N 3.12Å; L29-C32 PolarHBondContact O-N 3.02Å; L29-G33 PolarHBondContact O-N 3.11Å |
| 30 | K | 74.5 | Confident | 72.6 | Confident | 149 Ų | 149 | 104.1 Ų | 104.1 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 173.6 | -77.2 | -178.3 | 179.1 | -172.3 | 0 | 112.2 | C26 K27 G33 L34 | C26-K30 WeakPolarHBondContact O-CB 3.49Å; C26-K30 WeakPolarHBondContact O-CG 2.98Å; C26-K30 PolarHBondContact O-N 2.96Å; K27-K30 PolarHBondContact O-N 3.14Å; K30-G33 PolarHBondContact O-N 2.9Å; K30-L34 WeakPolarHBondContact O-CB 3.16Å; K30-L34 PolarHBondContact O-N 2.84Å |
| 31 | I | 80 | Confident | 74.8 | Confident | 107 Ų | 107 | 101.3 Ų | 101.3 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 176.9 | -66.9 | 160.7 | 0 | 0 | 0 | 110.5 | K27 S28 L34 V35 | K27-I31 WeakPolarHBondContact O-CD1 3.35Å; K27-I31 WeakPolarHBondContact O-CG1 3.28Å; K27-I31 PolarHBondContact O-N 3.43Å; S28-I31 PolarHBondContact O-N 2.72Å; I31-L34 WeakPolarHBondContact O-CB 3.32Å; I31-L34 PolarHBondContact O-N 3.18Å; I31-L34 VanDerWaalsContact O-N 3.16Å; I31-V35 HydrophobicContact CG2-CG2 4.43Å; I31-V35 WeakPolarHBondContact O-CG2 3.39Å; I31-V35 PolarHBondContact O-N 2.92Å |
| 32 | C | 79.8 | Confident | 76.7 | Confident | 60 Ų | 60 | 97 Ų | 97 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.5 | -157.7 | 0 | 0 | 0 | 0 | 111 | S28 L29 L34 V35 F36 | S28-C32 VanDerWaalsContact O-CB 3.31Å; S28-C32 WeakPolarHBondContact O-CB 3.39Å; S28-C32 PolarHBondContact O-N 3.25Å; L29-C32 PolarHBondContact O-N 3.02Å; C32-L34 VanDerWaalsContact C-N 3.29Å; C32-L34 PolarHBondContact O-N 3.3Å; C32-V35 PolarHBondContact O-N 3.45Å; C32-F36 WeakPolarHBondContact O-CD2 3.42Å; C32-F36 PolarHBondContact O-N 3.44Å; C32-F36 VanDerWaalsContact SG-CE2 3.51Å |
| 33 | G | 83.6 | Confident | 78.6 | Confident | 45 Ų | 45 | 98.5 Ų | 98.5 | 46% | 0.464 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L29 K30 G37 | L29-G33 PolarHBondContact O-N 3.11Å; K30-G33 PolarHBondContact O-N 2.9Å; G33-G37 PolarHBondContact O-N 2.95Å |
| 34 | L | 87.4 | Confident | 80.3 | Confident | 111 Ų | 111 | 95.9 Ų | 95.9 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 175.9 | -136.4 | 157.3 | 0 | 0 | 0 | 111.5 | K30 I31 C32 G37 I38 | K30-L34 WeakPolarHBondContact O-CB 3.16Å; K30-L34 PolarHBondContact O-N 2.84Å; I31-L34 WeakPolarHBondContact O-CB 3.32Å; I31-L34 PolarHBondContact O-N 3.18Å; I31-L34 VanDerWaalsContact O-N 3.16Å; C32-L34 VanDerWaalsContact C-N 3.29Å; C32-L34 PolarHBondContact O-N 3.3Å; L34-G37 PolarHBondContact O-N 3.47Å; L34-I38 HydrophobicContact CD2-CD1 3.61Å; L34-I38 HydrophobicContact CD2-CG1 4.18Å; L34-I38 VanDerWaalsContact O-CG1 3.27Å; L34-I38 WeakPolarHBondContact O-CG1 3.22Å; L34-I38 PolarHBondContact O-N 3.04Å |
| 35 | V | 88.5 | Confident | 82 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I31 C32 G37 I38 L39 | I31-V35 HydrophobicContact CG2-CG2 4.43Å; I31-V35 WeakPolarHBondContact O-CG2 3.39Å; I31-V35 PolarHBondContact O-N 2.92Å; C32-V35 PolarHBondContact O-N 3.45Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 3.27Å; V35-I38 PolarHBondContact O-N 3.2Å; V35-L39 WeakPolarHBondContact O-CB 3.39Å; V35-L39 PolarHBondContact O-N 2.92Å |
| 36 | F | 88.8 | Confident | 83.4 | Confident | 136 Ų | 136 | 93.5 Ų | 93.5 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -38 | 175.1 | -82.8 | -67.7 | 0 | 0 | 0 | 112.4 | C32 L39 A40 | C32-F36 WeakPolarHBondContact O-CD2 3.42Å; C32-F36 PolarHBondContact O-N 3.44Å; C32-F36 VanDerWaalsContact SG-CE2 3.51Å; F36-L39 PolarHBondContact O-N 2.78Å; F36-A40 WeakPolarHBondContact O-CB 3.5Å; F36-A40 PolarHBondContact O-N 2.9Å |
| 37 | G | 89.9 | Confident | 84.6 | Confident | 33 Ų | 33 | 97 Ų | 97 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G33 L34 V35 A40 L41 | G33-G37 PolarHBondContact O-N 2.95Å; L34-G37 PolarHBondContact O-N 3.47Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 3.27Å; G37-A40 PolarHBondContact O-N 3.4Å; G37-L41 WeakPolarHBondContact O-CG 3.36Å; G37-L41 PolarHBondContact O-N 2.87Å |
| 38 | I | 91.9 | Very high | 85.5 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.9 | -68.4 | 165.1 | 0 | 0 | 0 | 110.5 | L34 V35 A40 L41 T42 | L34-I38 HydrophobicContact CD2-CD1 3.61Å; L34-I38 HydrophobicContact CD2-CG1 4.18Å; L34-I38 VanDerWaalsContact O-CG1 3.27Å; L34-I38 WeakPolarHBondContact O-CG1 3.22Å; L34-I38 PolarHBondContact O-N 3.04Å; V35-I38 PolarHBondContact O-N 3.2Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.38Å; I38-L41 PolarHBondContact O-N 3.36Å; I38-T42 HydrophobicContact CG2-CG2 4.43Å; I38-T42 WeakPolarHBondContact O-CG2 3.27Å; I38-T42 PolarHBondContact O-N 2.81Å; I38-T42 PolarHBondContact O-OG1 3.47Å |
| 39 | L | 92.4 | Very high | 86.2 | Confident | 92 Ų | 92 | 96.3 Ų | 96.3 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | -179.9 | -165.1 | 141.1 | 0 | 0 | 0 | 112.3 | V35 F36 T42 L43 | V35-L39 WeakPolarHBondContact O-CB 3.39Å; V35-L39 PolarHBondContact O-N 2.92Å; F36-L39 PolarHBondContact O-N 2.78Å; L39-T42 WeakPolarHBondContact CA-OG1 3.19Å; L39-T42 PolarHBondContact O-OG1 2.8Å; L39-L43 HydrophobicContact CD2-CD1 3.81Å; L39-L43 HydrophobicContact CD2-CG 4.45Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.33Å; L39-L43 PolarHBondContact O-N 3.09Å; L39-L43 VanDerWaalsContact O-N 3.1Å |
| 40 | A | 91.8 | Very high | 86.5 | Confident | 46 Ų | 46 | 93.5 Ų | 93.5 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F36 G37 I38 L43 I44 | F36-A40 WeakPolarHBondContact O-CB 3.5Å; F36-A40 PolarHBondContact O-N 2.9Å; G37-A40 PolarHBondContact O-N 3.4Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.38Å; A40-L43 PolarHBondContact O-N 3.36Å; A40-I44 WeakPolarHBondContact O-CD1 3.32Å; A40-I44 VanDerWaalsContact O-CG1 3.24Å; A40-I44 WeakPolarHBondContact O-CG1 3.22Å; A40-I44 PolarHBondContact O-N 3.03Å |
| 41 | L | 92.2 | Very high | 86.5 | Confident | 112 Ų | 112 | 94 Ų | 94 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 176.7 | -79 | 167.3 | 0 | 0 | 0 | 112.2 | G37 I38 I44 V45 | G37-L41 WeakPolarHBondContact O-CG 3.36Å; G37-L41 PolarHBondContact O-N 2.87Å; I38-L41 PolarHBondContact O-N 3.36Å; L41-I44 PolarHBondContact O-N 3.27Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.3Å; L41-V45 PolarHBondContact O-N 3.07Å |
| 42 | T | 90.3 | Very high | 86.2 | Confident | 69 Ų | 69 | 96.7 Ų | 96.7 | 42% | 0.423 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | I38 L39 I44 V45 L46 | I38-T42 HydrophobicContact CG2-CG2 4.43Å; I38-T42 WeakPolarHBondContact O-CG2 3.27Å; I38-T42 PolarHBondContact O-N 2.81Å; I38-T42 PolarHBondContact O-OG1 3.47Å; L39-T42 WeakPolarHBondContact CA-OG1 3.19Å; L39-T42 PolarHBondContact O-OG1 2.8Å; T42-I44 PolarHBondContact O-N 3.46Å; T42-V45 PolarHBondContact O-N 2.04Å; T42-L46 WeakPolarHBondContact O-CB 3.26Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.31Å; T42-L46 PolarHBondContact O-N 3.34Å |
| 43 | L | 91.6 | Very high | 85.8 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.1 | -73.3 | 173.8 | 0 | 0 | 0 | 112.5 | L39 A40 L46 F47 | L39-L43 HydrophobicContact CD2-CD1 3.81Å; L39-L43 HydrophobicContact CD2-CG 4.45Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.33Å; L39-L43 PolarHBondContact O-N 3.09Å; L39-L43 VanDerWaalsContact O-N 3.1Å; A40-L43 PolarHBondContact O-N 3.36Å; L43-L46 PolarHBondContact O-N 3.04Å; L43-F47 WeakPolarHBondContact O-CB 3.33Å; L43-F47 PolarHBondContact O-N 2.75Å |
| 44 | I | 90.4 | Very high | 84.7 | Confident | 90 Ų | 90 | 110.7 Ų | 110.7 | 46% | 0.462 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -46.5 | 175.2 | -67.6 | 161.9 | 0 | 0 | 0 | 110.1 | A40 L41 T42 L46 F47 W48 | A40-I44 WeakPolarHBondContact O-CD1 3.32Å; A40-I44 VanDerWaalsContact O-CG1 3.24Å; A40-I44 WeakPolarHBondContact O-CG1 3.22Å; A40-I44 PolarHBondContact O-N 3.03Å; L41-I44 PolarHBondContact O-N 3.27Å; T42-I44 PolarHBondContact O-N 3.46Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.94Å; I44-F47 PolarHBondContact O-N 2.91Å; I44-W48 WeakPolarHBondContact O-CB 3.45Å; I44-W48 PolarHBondContact O-N 2.53Å |
| 45 | V | 90.1 | Very high | 83.2 | Confident | 101 Ų | 101 | 110.4 Ų | 110.4 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -38.9 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | L41 T42 G49 | L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.3Å; L41-V45 PolarHBondContact O-N 3.07Å; T42-V45 PolarHBondContact O-N 2.04Å; V45-G49 WeakPolarHBondContact O-CA 3.49Å; V45-G49 PolarHBondContact O-N 2.87Å |
| 46 | L | 88.6 | Confident | 81.8 | Confident | 121 Ų | 121 | 114.9 Ų | 114.9 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -42.1 | 175.8 | -73.2 | 170 | 0 | 0 | 0 | 112.1 | T42 L43 I44 G49 S50 | T42-L46 WeakPolarHBondContact O-CB 3.26Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.31Å; T42-L46 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 3.04Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.94Å; L46-G49 PolarHBondContact O-N 2.83Å; L46-S50 WeakPolarHBondContact O-CB 3.34Å; L46-S50 PolarHBondContact O-N 2.86Å; L46-S50 PolarHBondContact O-OG 3.07Å |
| 47 | F | 84.4 | Confident | 80.3 | Confident | 140 Ų | 140 | 114.1 Ų | 114.1 | 61% | 0.614 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.6 | -47.8 | 177.1 | -176.3 | -99 | 0 | 0 | 0 | 111.4 | L43 I44 S50 K51 | L43-F47 WeakPolarHBondContact O-CB 3.33Å; L43-F47 PolarHBondContact O-N 2.75Å; I44-F47 PolarHBondContact O-N 2.91Å; F47-S50 PolarHBondContact O-N 3.35Å; F47-S50 PolarHBondContact O-OG 2.56Å; F47-K51 PolarHBondContact O-N 2.86Å; F47-K51 VanDerWaalsContact O-N 3.16Å |
| 48 | W | 82.7 | Confident | 78.5 | Confident | 180 Ų | 180 | 116.8 Ų | 116.8 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 177.6 | -76.7 | 59 | 0 | 0 | 0 | 111.9 | I44 K51 H52 | I44-W48 WeakPolarHBondContact O-CB 3.45Å; I44-W48 PolarHBondContact O-N 2.53Å; W48-K51 PolarHBondContact O-N 3.19Å; W48-H52 PolarHBondContact O-N 3.19Å |
| 49 | G | 81 | Confident | 76.8 | Confident | 27 Ų | 27 | 118.3 Ų | 118.3 | 28% | 0.278 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.9 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | V45 L46 K51 H52 F53 | V45-G49 WeakPolarHBondContact O-CA 3.49Å; V45-G49 PolarHBondContact O-N 2.87Å; L46-G49 PolarHBondContact O-N 2.83Å; G49-K51 VanDerWaalsContact C-N 3.32Å; G49-K51 PolarHBondContact O-N 3.23Å; G49-H52 PolarHBondContact O-N 3.23Å; G49-H52 VanDerWaalsContact O-N 3.15Å; G49-F53 WeakPolarHBondContact O-CB 3.05Å; G49-F53 WeakPolarHBondContact O-CD2 3Å; G49-F53 PolarHBondContact O-N 2.77Å |
| 50 | S | 76.9 | Confident | 75 | Confident | 64 Ų | 64 | 119.6 Ų | 119.6 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.6 | -39.5 | 176.4 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | L46 F47 H52 F53 W54 | L46-S50 WeakPolarHBondContact O-CB 3.34Å; L46-S50 PolarHBondContact O-N 2.86Å; L46-S50 PolarHBondContact O-OG 3.07Å; F47-S50 PolarHBondContact O-N 3.35Å; F47-S50 PolarHBondContact O-OG 2.56Å; S50-H52 VanDerWaalsContact C-N 3.32Å; S50-H52 PolarHBondContact O-N 3.09Å; S50-F53 PolarHBondContact O-N 2.83Å; S50-W54 WeakPolarHBondContact O-CB 3.38Å; S50-W54 PolarHBondContact O-N 3.23Å |
| 51 | K | 75.1 | Confident | 73.3 | Confident | 161 Ų | 161 | 119.9 Ų | 119.9 | 70% | 0.7 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -29.9 | 176.2 | -166.5 | 176.4 | -179.8 | 175.6 | 0 | 112.7 | F47 W48 G49 | F47-K51 PolarHBondContact O-N 2.86Å; F47-K51 VanDerWaalsContact O-N 3.16Å; W48-K51 PolarHBondContact O-N 3.19Å; G49-K51 VanDerWaalsContact C-N 3.32Å; G49-K51 PolarHBondContact O-N 3.23Å |
| 52 | H | 72.6 | Confident | 71.7 | Confident | 163 Ų | 163 | 120.1 Ų | 120.1 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -79.7 | -31.4 | 176.9 | -124.7 | -53.4 | 0 | 0 | 0 | 113.1 | W48 G49 S50 | W48-H52 PolarHBondContact O-N 3.19Å; G49-H52 PolarHBondContact O-N 3.23Å; G49-H52 VanDerWaalsContact O-N 3.15Å; S50-H52 VanDerWaalsContact C-N 3.32Å; S50-H52 PolarHBondContact O-N 3.09Å |
| 53 | F | 70.8 | Confident | 70.4 | Confident | 178 Ų | 178 | 123 Ų | 123 | 78% | 0.781 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -89.3 | -16.2 | -179.8 | -91.5 | -81.2 | 0 | 0 | 0 | 114.2 | G49 S50 P55 | G49-F53 WeakPolarHBondContact O-CB 3.05Å; G49-F53 WeakPolarHBondContact O-CD2 3Å; G49-F53 PolarHBondContact O-N 2.77Å; S50-F53 PolarHBondContact O-N 2.83Å; F53-P55 WeakPolarHBondContact O-CD 3.38Å |
| 54 | W | 60.5 | Low | 69.1 | Low | 221 Ų | 221 | 122 Ų | 122 | 84% | 0.837 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -97.6 | 86 | 164.8 | -82.7 | 7.6 | 0 | 0 | 0 | 108.9 | S50 E56 | S50-W54 WeakPolarHBondContact O-CB 3.38Å; S50-W54 PolarHBondContact O-N 3.23Å; W54-E56 PolarHBondContact O-N 3.17Å |
| 55 | P | 56.3 | Low | 68 | Low | 105 Ų | 105 | 122.2 Ų | 122.2 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 132.6 | 166.6 | 26.1 | -32.2 | 0 | 0 | 0 | 107.6 | F53 V57 | F53-P55 WeakPolarHBondContact O-CD 3.38Å; P55-V57 PolarHBondContact O-N 3.3Å |
| 56 | E | 58.9 | Low | 66.4 | Low | 179 Ų | 179 | 121.6 Ų | 121.6 | 84% | 0.836 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 129.1 | 166 | -68.6 | -179.3 | 176.2 | 0 | 0 | 107.3 | W54 P58 | W54-E56 PolarHBondContact O-N 3.17Å; E56-P58 WeakPolarHBondContact O-CD 3.17Å |
| 57 | V | 57.4 | Low | 65.1 | Low | 119 Ų | 119 | 120.3 Ų | 120.3 | 72% | 0.721 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 117.8 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 106 | P55 K59 | P55-V57 PolarHBondContact O-N 3.3Å; V57-K59 PolarHBondContact O-N 2.78Å |
| 58 | P | 52.9 | Low | 64.2 | Low | 89 Ų | 89 | 116.9 Ų | 116.9 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.6 | -176 | 21.1 | -30.8 | 0 | 0 | 0 | 106.9 | E56 K60 | E56-P58 WeakPolarHBondContact O-CD 3.17Å; P58-K60 PolarHBondContact O-N 2.9Å |
| 59 | K | 55.2 | Low | 63.1 | Low | 125 Ų | 125 | 115.7 Ų | 115.7 | 54% | 0.543 | 57% | 0.566 | S | S | . | * | trans | -65.1 | 90 | 170.6 | -166.4 | 178.9 | -175.9 | -178.2 | 0 | 105.8 | V57 T61 D82 | V57-K59 PolarHBondContact O-N 2.78Å; K59-T61 PolarHBondContact O-N 2.82Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD2 3.47Å; K59-D82 PolarHBondContact NZ-OD2 2.77Å; K59-D82 VanDerWaalsContact NZ-OD2 3.14Å | ||
| 60 | K | 55.8 | Low | 61.9 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 52% | 0.522 | 56% | 0.564 | S | S | . | * | trans | -74.7 | 80.6 | 177.7 | -69.3 | -170.3 | -177.1 | -179.7 | 0 | 107.1 | P58 Y62 P83 | P58-K60 PolarHBondContact O-N 2.9Å; K60-Y62 HydrophobicContact CB-CD2 4.43Å; K60-Y62 HydrophobicContact CB-CE2 3.74Å; K60-Y62 HydrophobicContact CD-CE2 4.48Å; K60-Y62 WeakPolarHBondContact CD-OH 3.43Å; K60-Y62 WeakPolarHBondContact O-CD2 3.38Å; K60-Y62 PolarHBondContact O-N 3.45Å; K60-P83 HydrophobicContact CB-CG 4.42Å; K60-P83 WeakPolarHBondContact O-CD 3.42Å; K60-P83 WeakPolarHBondContact O-CG 3.48Å | ||
| 61 | T | 56.3 | Low | 61 | Low | 52 Ų | 52 | 120.6 Ų | 120.6 | 32% | 0.319 | 58% | 0.583 | S | S | . | * | trans | -76.5 | 118.2 | 166.8 | -46.8 | 0 | 0 | 0 | 0 | 107.1 | K59 E80 I81 | K59-T61 PolarHBondContact O-N 2.82Å; T61-E80 HydrophobicContact CG2-CG 3.22Å; T61-I81 WeakPolarHBondContact CA-O 3.39Å | ||
| 62 | Y | 57.9 | Low | 60.5 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 113.6 | 175.6 | -64.1 | -91.5 | 0 | 0 | 0 | 108.4 | K60 E80 I81 P83 | K60-Y62 HydrophobicContact CB-CD2 4.43Å; K60-Y62 HydrophobicContact CB-CE2 3.74Å; K60-Y62 HydrophobicContact CD-CE2 4.48Å; K60-Y62 WeakPolarHBondContact CD-OH 3.43Å; K60-Y62 WeakPolarHBondContact O-CD2 3.38Å; K60-Y62 PolarHBondContact O-N 3.45Å; Y62-E80 CarbonylContact O-C 3.55Å; Y62-E80 WeakPolarHBondContact O-CA 3.4Å; Y62-I81 PolarHBondContact N-O 2.77Å; Y62-I81 PolarHBondContact O-N 3.4Å; Y62-P83 HydrophobicContact CE2-CG 4.46Å |
| 63 | D | 63.6 | Low | 60.2 | Low | 129 Ų | 129 | 115.3 Ų | 115.3 | 69% | 0.69 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.8 | 173.9 | -66.5 | -17.9 | 0 | 0 | 0 | 108.7 | M79 | D63-M79 WeakPolarHBondContact CA-O 3.36Å |
| 64 | M | 64 | Low | 60 | Low | 83 Ų | 83 | 113.9 Ų | 113.9 | 41% | 0.409 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | 179.8 | -169.8 | 163.5 | 51.7 | 0 | 0 | 109.7 | H66 M79 | M64-H66 WeakPolarHBondContact CE-NE2 3.4Å; M64-H66 WeakPolarHBondContact CG-NE2 3.09Å; M64-H66 VanDerWaalsContact SD-CE1 3.58Å; M64-H66 PolarHBondContact SD-NE2 3.29Å; M64-M79 HydrophobicContact CE-CE 4.09Å; M64-M79 HydrophobicContact CE-SD 3.72Å; M64-M79 PolarHBondContact N-O 3.42Å; M64-M79 PolarHBondContact O-N 3.09Å |
| 65 | E | 66.8 | Low | 60.2 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.7 | 175.1 | -174.8 | 176.4 | 166.4 | 0 | 0 | 109.2 | K76 I77 Y78 | E65-K76 WeakPolarHBondContact OE1-CD 3.46Å; E65-K76 VanDerWaalsContact OE1-CE 3.26Å; E65-K76 WeakPolarHBondContact OE1-CE 3.44Å; E65-K76 IonicContact OE1-NZ 3.57Å; E65-K76 PolarHBondContact OE1-NZ 3.31Å; E65-I77 WeakPolarHBondContact CA-O 3.32Å; E65-Y78 HydrophobicContact CB-CD1 4.07Å; E65-Y78 HydrophobicContact CB-CE1 3.88Å; E65-Y78 VanDerWaalsContact CD-CE1 3.45Å; E65-Y78 VanDerWaalsContact CD-OH 3.29Å; E65-Y78 HydrophobicContact CG-CD1 4.08Å; E65-Y78 HydrophobicContact CG-CE1 3.57Å; E65-Y78 PolarHBondContact OE1-OH 3.07Å; E65-Y78 VanDerWaalsContact OE2-CE1 3.3Å; E65-Y78 WeakPolarHBondContact OE2-CE1 3.46Å; E65-Y78 PolarHBondContact OE2-OH 3.17Å |
| 66 | H | 57.6 | Low | 61 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.2 | 175 | -73.8 | -68.5 | 0 | 0 | 0 | 111.6 | M64 K76 I77 | M64-H66 WeakPolarHBondContact CE-NE2 3.4Å; M64-H66 WeakPolarHBondContact CG-NE2 3.09Å; M64-H66 VanDerWaalsContact SD-CE1 3.58Å; M64-H66 PolarHBondContact SD-NE2 3.29Å; H66-K76 WeakPolarHBondContact O-CA 3.41Å; H66-I77 PolarHBondContact N-O 2.8Å; H66-I77 PolarHBondContact O-N 3.45Å |
| 67 | T | 60.3 | Low | 61.5 | Low | 93 Ų | 93 | 100.8 Ų | 100.8 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.3 | 172.5 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | K75 K76 | T67-K75 CarbonylContact C-O 3.54Å; T67-K75 WeakPolarHBondContact CA-O 3.31Å; T67-K76 HydrophobicContact CG2-CG 4.16Å |
| 68 | F | 64.9 | Low | 62.4 | Low | 69 Ų | 69 | 100.3 Ų | 100.3 | 30% | 0.303 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 158.2 | 174.3 | 75.6 | -69.6 | 0 | 0 | 0 | 110.3 | S70 K75 I77 | F68-S70 VanDerWaalsContact CE2-CB 3.48Å; F68-K75 HydrophobicContact CD1-CB 3.86Å; F68-K75 VanDerWaalsContact CD1-O 3.31Å; F68-K75 WeakPolarHBondContact CD1-O 3.43Å; F68-K75 HydrophobicContact CE1-CB 3.24Å; F68-K75 HydrophobicContact CE1-CD 4.41Å; F68-K75 HydrophobicContact CE1-CG 4.41Å; F68-K75 HydrophobicContact CE2-CB 4.4Å; F68-K75 HydrophobicContact CZ-CB 3.59Å; F68-K75 HydrophobicContact CZ-CD 3.91Å; F68-K75 HydrophobicContact CZ-CG 4.34Å; F68-K75 PolarHBondContact N-O 3.15Å; F68-K75 PolarHBondContact O-N 3.26Å; F68-I77 HydrophobicContact CD1-CD1 3.36Å; F68-I77 HydrophobicContact CD1-CG1 3.45Å; F68-I77 VanDerWaalsContact CD1-CG1 3.45Å; F68-I77 HydrophobicContact CE1-CD1 3.24Å; F68-I77 HydrophobicContact CE1-CG1 3.17Å; F68-I77 HydrophobicContact CG-CD1 4.13Å; F68-I77 HydrophobicContact CZ-CD1 3.88Å; F68-I77 HydrophobicContact CZ-CG1 4.15Å |
| 69 | Y | 59.9 | Low | 63.5 | Low | 155 Ų | 155 | 97.3 Ų | 97.3 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.6 | 176.3 | -68.1 | -98.5 | 0 | 0 | 0 | 109.3 | E73 K74 | Y69-E73 WeakPolarHBondContact CA-O 3.47Å; Y69-K74 HydrophobicContact CD1-CG 3.73Å; Y69-K74 HydrophobicContact CE1-CD 3.87Å; Y69-K74 HydrophobicContact CE1-CG 3.25Å; Y69-K74 HydrophobicContact CE2-CG 4.43Å; Y69-K74 WeakPolarHBondContact OH-CE 3.44Å; Y69-K74 PolarHBondContact OH-NZ 3.12Å |
| 70 | S | 56.6 | Low | 64.5 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 25% | 0.245 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130.5 | 177.1 | 170.4 | 0 | 0 | 0 | 0 | 108.7 | F68 G72 E73 | F68-S70 VanDerWaalsContact CE2-CB 3.48Å; S70-G72 PolarHBondContact O-N 3.37Å; S70-E73 PolarHBondContact N-O 3.03Å; S70-E73 PolarHBondContact O-N 3.48Å |
| 71 | N | 58.7 | Low | 65.3 | Low | 158 Ų | 158 | 89.6 Ų | 89.6 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 33.9 | -174.4 | -62.1 | -2.8 | 0 | 0 | 0 | 113.8 | E73 | N71-E73 VanDerWaalsContact C-N 3.26Å; N71-E73 PolarHBondContact O-N 2.92Å |
| 72 | G | 63.5 | Low | 66.1 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 79% | 0.794 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -2.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S70 | S70-G72 PolarHBondContact O-N 3.37Š|
| 73 | E | 66 | Low | 66.6 | Low | 137 Ų | 137 | 84.2 Ų | 84.2 | 64% | 0.64 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.4 | 178.8 | -65.9 | -173.2 | 162.1 | 0 | 0 | 112.1 | Y69 S70 N71 K75 | Y69-E73 WeakPolarHBondContact CA-O 3.47Å; S70-E73 PolarHBondContact N-O 3.03Å; S70-E73 PolarHBondContact O-N 3.48Å; N71-E73 VanDerWaalsContact C-N 3.26Å; N71-E73 PolarHBondContact O-N 2.92Å; E73-K75 PolarHBondContact O-N 3.48Å |
| 74 | K | 66.4 | Low | 67.1 | Low | 147 Ų | 147 | 82.6 Ų | 82.6 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.2 | 172.6 | -65.6 | -170.8 | -158.3 | -155.2 | 0 | 109.3 | Y69 | Y69-K74 HydrophobicContact CD1-CG 3.73Å; Y69-K74 HydrophobicContact CE1-CD 3.87Å; Y69-K74 HydrophobicContact CE1-CG 3.25Å; Y69-K74 HydrophobicContact CE2-CG 4.43Å; Y69-K74 WeakPolarHBondContact OH-CE 3.44Å; Y69-K74 PolarHBondContact OH-NZ 3.12Å |
| 75 | K | 65.7 | Low | 67.7 | Low | 79 Ų | 79 | 81.2 Ų | 81.2 | 34% | 0.343 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.3 | 173.7 | -69 | -171.5 | -178.6 | 178.4 | 0 | 110.2 | T67 F68 E73 | T67-K75 CarbonylContact C-O 3.54Å; T67-K75 WeakPolarHBondContact CA-O 3.31Å; F68-K75 HydrophobicContact CD1-CB 3.86Å; F68-K75 VanDerWaalsContact CD1-O 3.31Å; F68-K75 WeakPolarHBondContact CD1-O 3.43Å; F68-K75 HydrophobicContact CE1-CB 3.24Å; F68-K75 HydrophobicContact CE1-CD 4.41Å; F68-K75 HydrophobicContact CE1-CG 4.41Å; F68-K75 HydrophobicContact CE2-CB 4.4Å; F68-K75 HydrophobicContact CZ-CB 3.59Å; F68-K75 HydrophobicContact CZ-CD 3.91Å; F68-K75 HydrophobicContact CZ-CG 4.34Å; F68-K75 PolarHBondContact N-O 3.15Å; F68-K75 PolarHBondContact O-N 3.26Å; E73-K75 PolarHBondContact O-N 3.48Å |
| 76 | K | 71.9 | Confident | 68.1 | Low | 114 Ų | 114 | 83.8 Ų | 83.8 | 50% | 0.496 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.8 | 175.8 | -69.3 | 171.9 | 167.1 | -133.9 | 0 | 108.9 | E65 H66 T67 Y78 | E65-K76 WeakPolarHBondContact OE1-CD 3.46Å; E65-K76 VanDerWaalsContact OE1-CE 3.26Å; E65-K76 WeakPolarHBondContact OE1-CE 3.44Å; E65-K76 IonicContact OE1-NZ 3.57Å; E65-K76 PolarHBondContact OE1-NZ 3.31Å; H66-K76 WeakPolarHBondContact O-CA 3.41Å; T67-K76 HydrophobicContact CG2-CG 4.16Å; K76-Y78 HydrophobicContact CB-CE2 4.4Å |
| 77 | I | 69.8 | Low | 69.1 | Low | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.195 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.1 | 171 | -57.5 | 178.9 | 0 | 0 | 0 | 107.4 | E65 H66 F68 F90 R91 | E65-I77 WeakPolarHBondContact CA-O 3.32Å; H66-I77 PolarHBondContact N-O 2.8Å; H66-I77 PolarHBondContact O-N 3.45Å; F68-I77 HydrophobicContact CD1-CD1 3.36Å; F68-I77 HydrophobicContact CD1-CG1 3.45Å; F68-I77 VanDerWaalsContact CD1-CG1 3.45Å; F68-I77 HydrophobicContact CE1-CD1 3.24Å; F68-I77 HydrophobicContact CE1-CG1 3.17Å; F68-I77 HydrophobicContact CG-CD1 4.13Å; F68-I77 HydrophobicContact CZ-CD1 3.88Å; F68-I77 HydrophobicContact CZ-CG1 4.15Å; I77-F90 HydrophobicContact CG2-CB 4.48Å; I77-F90 HydrophobicContact CG2-CD1 4Å; I77-R91 CarbonylContact C-O 3.54Å; I77-R91 VanDerWaalsContact CA-O 3.31Å; I77-R91 WeakPolarHBondContact CA-O 3.35Å |
| 78 | Y | 76.6 | Confident | 70.1 | Confident | 108 Ų | 108 | 76 Ų | 76 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.1 | 169.4 | -64.3 | -82.8 | 0 | 0 | 0 | 108.6 | E65 K76 F90 R91 | E65-Y78 HydrophobicContact CB-CD1 4.07Å; E65-Y78 HydrophobicContact CB-CE1 3.88Å; E65-Y78 VanDerWaalsContact CD-CE1 3.45Å; E65-Y78 VanDerWaalsContact CD-OH 3.29Å; E65-Y78 HydrophobicContact CG-CD1 4.08Å; E65-Y78 HydrophobicContact CG-CE1 3.57Å; E65-Y78 PolarHBondContact OE1-OH 3.07Å; E65-Y78 VanDerWaalsContact OE2-CE1 3.3Å; E65-Y78 WeakPolarHBondContact OE2-CE1 3.46Å; E65-Y78 PolarHBondContact OE2-OH 3.17Å; K76-Y78 HydrophobicContact CB-CE2 4.4Å; Y78-F90 WeakPolarHBondContact O-CA 3.25Å; Y78-R91 PolarHBondContact N-O 3.32Å; Y78-R91 PolarHBondContact O-N 3.38Å |
| 79 | M | 76.8 | Confident | 71.1 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.7 | 177.4 | -175.1 | -161.5 | -72.1 | 0 | 0 | 108.9 | D63 M64 I81 E88 I89 F90 | D63-M79 WeakPolarHBondContact CA-O 3.36Å; M64-M79 HydrophobicContact CE-CE 4.09Å; M64-M79 HydrophobicContact CE-SD 3.72Å; M64-M79 PolarHBondContact N-O 3.42Å; M64-M79 PolarHBondContact O-N 3.09Å; M79-I81 HydrophobicContact CG-CG1 4.23Å; M79-I81 HydrophobicContact SD-CD1 3.76Å; M79-I81 HydrophobicContact SD-CG1 4.09Å; M79-E88 HydrophobicContact CG-CG 4.3Å; M79-I89 CarbonylContact C-O 3.58Å; M79-I89 VanDerWaalsContact CA-O 3.3Å; M79-I89 WeakPolarHBondContact CA-O 3.45Å; M79-F90 HydrophobicContact CB-CD1 4.34Å; M79-F90 HydrophobicContact CB-CE1 4.36Å; M79-F90 HydrophobicContact CE-CD1 4.24Å; M79-F90 HydrophobicContact CE-CE1 3.23Å; M79-F90 HydrophobicContact CE-CZ 3.64Å; M79-F90 HydrophobicContact CG-CD1 4.2Å; M79-F90 HydrophobicContact CG-CE1 3.89Å; M79-F90 HydrophobicContact CG-CZ 4.2Å; M79-F90 HydrophobicContact SD-CE1 4.26Å; M79-F90 HydrophobicContact SD-CZ 4.41Å |
| 80 | E | 75.8 | Confident | 72.2 | Confident | 57 Ų | 57 | 68 Ų | 68 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.6 | 175.1 | -175 | -167.5 | 152.1 | 0 | 0 | 108.6 | T61 Y62 E88 I89 K173 | T61-E80 HydrophobicContact CG2-CG 3.22Å; Y62-E80 CarbonylContact O-C 3.55Å; Y62-E80 WeakPolarHBondContact O-CA 3.4Å; E80-E88 CarbonylContact O-C 3.49Å; E80-E88 VanDerWaalsContact O-CA 3.29Å; E80-E88 WeakPolarHBondContact O-CA 3.31Å; E80-I89 HydrophobicContact CB-CB 4.27Å; E80-I89 PolarHBondContact N-O 3.45Å; E80-I89 PolarHBondContact O-N 2.93Å; E80-K173 IonicContact OE1-NZ 3.96Å; E80-K173 PolarHBondContact OE1-NZ 3.09Å; E80-K173 IonicContact OE2-NZ 2.96Å |
| 81 | I | 72.4 | Confident | 73.6 | Confident | 26 Ų | 26 | 72 Ų | 72 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.3 | 174.9 | -57.9 | 167.7 | 0 | 0 | 0 | 109.7 | T61 Y62 M79 E88 | T61-I81 WeakPolarHBondContact CA-O 3.39Å; Y62-I81 PolarHBondContact N-O 2.77Å; Y62-I81 PolarHBondContact O-N 3.4Å; M79-I81 HydrophobicContact CG-CG1 4.23Å; M79-I81 HydrophobicContact SD-CD1 3.76Å; M79-I81 HydrophobicContact SD-CG1 4.09Å; I81-E88 HydrophobicContact CG1-CB 4.47Å; I81-E88 HydrophobicContact CG1-CG 4.02Å |
| 82 | D | 72.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 101.9 | 171.7 | -179.3 | -5.1 | 0 | 0 | 0 | 110.2 | K59 V84 T85 R86 T87 | K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD2 3.47Å; K59-D82 PolarHBondContact NZ-OD2 2.77Å; K59-D82 VanDerWaalsContact NZ-OD2 3.14Å; D82-V84 VanDerWaalsContact C-N 3.26Å; D82-V84 PolarHBondContact O-N 2.96Å; D82-V84 WeakPolarHBondContact OD1-CB 3.06Å; D82-V84 PolarHBondContact OD1-N 2.85Å; D82-T85 WeakPolarHBondContact CB-OG1 3.36Å; D82-T85 PolarHBondContact OD1-N 3.02Å; D82-T85 WeakPolarHBondContact OD2-CB 3.01Å; D82-T85 WeakPolarHBondContact OD2-CG2 3.29Å; D82-T85 PolarHBondContact OD2-OG1 2.8Å; D82-R86 WeakPolarHBondContact O-CA 3.2Å; D82-R86 PolarHBondContact O-N 3.26Å; D82-T87 PolarHBondContact N-O 2.84Å; D82-T87 PolarHBondContact O-N 3.43Å |
| 83 | P | 68.9 | Low | 75.5 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -21.4 | -176.9 | 29.2 | -34.4 | 0 | 0 | 0 | 112.7 | K60 Y62 | K60-P83 HydrophobicContact CB-CG 4.42Å; K60-P83 WeakPolarHBondContact O-CD 3.42Å; K60-P83 WeakPolarHBondContact O-CG 3.48Å; Y62-P83 HydrophobicContact CE2-CG 4.46Å |
| 84 | V | 73 | Confident | 76.1 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 58% | 0.576 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -46 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | D82 R86 | D82-V84 VanDerWaalsContact C-N 3.26Å; D82-V84 PolarHBondContact O-N 2.96Å; D82-V84 WeakPolarHBondContact OD1-CB 3.06Å; D82-V84 PolarHBondContact OD1-N 2.85Å; V84-R86 VanDerWaalsContact C-N 3.28Å |
| 85 | T | 76.9 | Confident | 76.8 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.5 | 176.6 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | D82 T87 | D82-T85 WeakPolarHBondContact CB-OG1 3.36Å; D82-T85 PolarHBondContact OD1-N 3.02Å; D82-T85 WeakPolarHBondContact OD2-CB 3.01Å; D82-T85 WeakPolarHBondContact OD2-CG2 3.29Å; D82-T85 PolarHBondContact OD2-OG1 2.8Å; T85-T87 VanDerWaalsContact C-N 3.32Å; T85-T87 PolarHBondContact OG1-OG1 2.94Å |
| 86 | R | 75.9 | Confident | 77.7 | Confident | 146 Ų | 146 | 60.6 Ų | 60.6 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 52.3 | -172.1 | -62.2 | -178.7 | 177.8 | -176 | -5.4 | 110.3 | D82 V84 F105 I129 | D82-R86 WeakPolarHBondContact O-CA 3.2Å; D82-R86 PolarHBondContact O-N 3.26Å; V84-R86 VanDerWaalsContact C-N 3.28Å; R86-F105 HydrophobicContact CB-CB 4.33Å; R86-F105 WeakPolarHBondContact O-CB 3.35Å; R86-F105 WeakPolarHBondContact O-CD2 3.47Å; R86-F105 PolarHBondContact O-N 2.73Å; R86-I129 VanDerWaalsContact CA-CD1 3.45Å; R86-I129 HydrophobicContact CB-CD1 3.68Å; R86-I129 HydrophobicContact CG-CD1 4.29Å |
| 87 | T | 79.3 | Confident | 78.1 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.7 | 177.2 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | D82 T85 H103 | D82-T87 PolarHBondContact N-O 2.84Å; D82-T87 PolarHBondContact O-N 3.43Å; T85-T87 VanDerWaalsContact C-N 3.32Å; T85-T87 PolarHBondContact OG1-OG1 2.94Å; T87-H103 VanDerWaalsContact CA-O 3.29Å; T87-H103 WeakPolarHBondContact CA-O 3.06Å |
| 88 | E | 80.9 | Confident | 79 | Confident | 13 Ų | 13 | 61 Ų | 61 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.8 | 173.3 | 178.2 | -177.4 | -160 | 0 | 0 | 107.8 | M79 E80 I81 F90 H103 F105 K127 | M79-E88 HydrophobicContact CG-CG 4.3Å; E80-E88 CarbonylContact O-C 3.49Å; E80-E88 VanDerWaalsContact O-CA 3.29Å; E80-E88 WeakPolarHBondContact O-CA 3.31Å; I81-E88 HydrophobicContact CG1-CB 4.47Å; I81-E88 HydrophobicContact CG1-CG 4.02Å; E88-F90 HydrophobicContact CG-CD2 4.21Å; E88-F90 HydrophobicContact CG-CE2 3.58Å; E88-F90 HydrophobicContact CG-CZ 4.08Å; E88-F90 VanDerWaalsContact OE1-CE2 3.28Å; E88-F90 WeakPolarHBondContact OE1-CE2 3.35Å; E88-F90 WeakPolarHBondContact OE1-CZ 3.37Å; E88-H103 HydrophobicContact CB-CB 4.17Å; E88-H103 PolarHBondContact N-O 3.02Å; E88-H103 VanDerWaalsContact N-O 3.09Å; E88-H103 PolarHBondContact O-N 3.23Å; E88-H103 IonicContact OE2-CD2 3.4Å; E88-F105 HydrophobicContact CB-CE2 3.73Å; E88-F105 HydrophobicContact CB-CZ 4.38Å; E88-F105 WeakPolarHBondContact OE2-CZ 3.37Å; E88-K127 IonicContact OE1-NZ 2.73Å; E88-K127 PolarHBondContact OE1-NZ 2.92Å; E88-K127 IonicContact OE2-NZ 2.94Å; E88-K127 PolarHBondContact OE2-NZ 2.92Å |
| 89 | I | 85.6 | Confident | 79.6 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.8 | 179.7 | -55.9 | -177.8 | 0 | 0 | 0 | 109.1 | M79 E80 E101 V102 K173 I177 | M79-I89 CarbonylContact C-O 3.58Å; M79-I89 VanDerWaalsContact CA-O 3.3Å; M79-I89 WeakPolarHBondContact CA-O 3.45Å; E80-I89 HydrophobicContact CB-CB 4.27Å; E80-I89 PolarHBondContact N-O 3.45Å; E80-I89 PolarHBondContact O-N 2.93Å; I89-E101 CarbonylContact C-O 3.52Å; I89-E101 WeakPolarHBondContact CA-O 3.13Å; I89-V102 HydrophobicContact CD1-CG2 4.45Å; I89-V102 HydrophobicContact CG1-CG1 4.18Å; I89-V102 HydrophobicContact CG1-CG2 4.22Å; I89-V102 HydrophobicContact CG2-CG2 4.23Å; I89-K173 HydrophobicContact CD1-CD 3.74Å; I89-K173 HydrophobicContact CD1-CG 4.32Å; I89-I177 HydrophobicContact CD1-CD1 4.25Å |
| 90 | F | 83.6 | Confident | 80.3 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.3 | 168.9 | -65.7 | -91.1 | 0 | 0 | 0 | 109.5 | I77 Y78 M79 E88 L100 E101 H103 | I77-F90 HydrophobicContact CG2-CB 4.48Å; I77-F90 HydrophobicContact CG2-CD1 4Å; Y78-F90 WeakPolarHBondContact O-CA 3.25Å; M79-F90 HydrophobicContact CB-CD1 4.34Å; M79-F90 HydrophobicContact CB-CE1 4.36Å; M79-F90 HydrophobicContact CE-CD1 4.24Å; M79-F90 HydrophobicContact CE-CE1 3.23Å; M79-F90 HydrophobicContact CE-CZ 3.64Å; M79-F90 HydrophobicContact CG-CD1 4.2Å; M79-F90 HydrophobicContact CG-CE1 3.89Å; M79-F90 HydrophobicContact CG-CZ 4.2Å; M79-F90 HydrophobicContact SD-CE1 4.26Å; M79-F90 HydrophobicContact SD-CZ 4.41Å; E88-F90 HydrophobicContact CG-CD2 4.21Å; E88-F90 HydrophobicContact CG-CE2 3.58Å; E88-F90 HydrophobicContact CG-CZ 4.08Å; E88-F90 VanDerWaalsContact OE1-CE2 3.28Å; E88-F90 WeakPolarHBondContact OE1-CE2 3.35Å; E88-F90 WeakPolarHBondContact OE1-CZ 3.37Å; F90-L100 CarbonylContact O-C 3.6Å; F90-L100 WeakPolarHBondContact O-CA 3.36Å; F90-E101 HydrophobicContact CB-CB 4.24Å; F90-E101 PolarHBondContact N-O 2.79Å; F90-E101 PolarHBondContact O-N 2.65Å; F90-H103 AromaticContact CD2-CD2 3.52Å; F90-H103 AromaticContact CD2-NE2 3.37Å; F90-H103 WeakPolarHBondContact CD2-NE2 3.49Å; F90-H103 AromaticContact CE2-CD2 3.45Å; F90-H103 VanDerWaalsContact CE2-CD2 3.45Å; F90-H103 WeakPolarHBondContact CE2-CD2 3.28Å; F90-H103 AromaticContact CE2-NE2 3.31Å; F90-H103 VanDerWaalsContact CE2-NE2 3.31Å; F90-H103 WeakPolarHBondContact CE2-NE2 3.39Å |
| 91 | R | 85.1 | Confident | 80.9 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 46% | 0.457 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.1 | 171.3 | 175.5 | 178 | -70.4 | -167.6 | -11.1 | 108.7 | I77 Y78 E98 L100 | I77-R91 CarbonylContact C-O 3.54Å; I77-R91 VanDerWaalsContact CA-O 3.31Å; I77-R91 WeakPolarHBondContact CA-O 3.35Å; Y78-R91 PolarHBondContact N-O 3.32Å; Y78-R91 PolarHBondContact O-N 3.38Å; R91-E98 WeakPolarHBondContact CD-OE1 3.17Å; R91-E98 HydrophobicContact CG-CG 4.32Å; R91-E98 WeakPolarHBondContact CG-OE1 3.48Å; R91-E98 IonicContact CZ-OE1 3.68Å; R91-E98 VanDerWaalsContact CZ-OE1 3.26Å; R91-E98 IonicContact NE-OE1 3.88Å; R91-E98 PolarHBondContact NE-OE1 3.03Å; R91-E98 IonicContact NH1-OE1 3.68Å; R91-E98 IonicContact NH2-OE1 3.26Å; R91-L100 HydrophobicContact CB-CD2 3.72Å; R91-L100 HydrophobicContact CG-CD2 3.67Å; R91-L100 VanDerWaalsContact NE-CD2 3.34Å |
| 92 | S | 83.1 | Confident | 81.8 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.4 | 178.2 | -168.1 | 0 | 0 | 0 | 0 | 110 | E98 T99 | S92-E98 CarbonylContact O-C 3.55Å; S92-E98 WeakPolarHBondContact O-CA 3.49Å; S92-T99 PolarHBondContact N-O 3.34Å; S92-T99 PolarHBondContact O-N 3.04Å |
| 93 | G | 79.2 | Confident | 82.5 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 89.8 | -176.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 94 | N | 79.1 | Confident | 83.4 | Confident | 143 Ų | 143 | 54 Ų | 54 | 77% | 0.765 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -147.1 | 144.9 | -178.2 | -170.3 | 12.2 | 0 | 0 | 0 | 110.1 | T96 D97 | N94-T96 PolarHBondContact O-N 3.07Å; N94-D97 PolarHBondContact O-N 3.09Å |
| 95 | G | 81.6 | Confident | 83.8 | Confident | 43 Ų | 43 | 51 Ų | 51 | 44% | 0.443 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | 62.8 | -120.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D97 E98 | G95-D97 VanDerWaalsContact C-N 3.35Å; G95-E98 WeakPolarHBondContact O-CB 3.48Å |
| 96 | T | 82.8 | Confident | 83.9 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 61% | 0.613 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -75.9 | -23.7 | -178 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | N94 E98 G116 | N94-T96 PolarHBondContact O-N 3.07Å; T96-E98 VanDerWaalsContact C-N 3.25Å; T96-G116 WeakPolarHBondContact O-CA 3.31Å; T96-G116 PolarHBondContact O-N 3.25Å |
| 97 | D | 81.9 | Confident | 84.2 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 66% | 0.663 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -91.1 | 6.2 | 180 | -59.3 | -21.9 | 0 | 0 | 0 | 111.7 | N94 G95 T99 | N94-D97 PolarHBondContact O-N 3.09Å; G95-D97 VanDerWaalsContact C-N 3.35Å; D97-T99 PolarHBondContact O-N 2.94Å |
| 98 | E | 87.5 | Confident | 84.3 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | trans | -66.7 | 130.6 | 175.2 | -174.7 | 179 | -168.3 | 0 | 0 | 110.4 | R91 S92 G95 T96 L100 V115 | R91-E98 WeakPolarHBondContact CD-OE1 3.17Å; R91-E98 HydrophobicContact CG-CG 4.32Å; R91-E98 WeakPolarHBondContact CG-OE1 3.48Å; R91-E98 IonicContact CZ-OE1 3.68Å; R91-E98 VanDerWaalsContact CZ-OE1 3.26Å; R91-E98 IonicContact NE-OE1 3.88Å; R91-E98 PolarHBondContact NE-OE1 3.03Å; R91-E98 IonicContact NH1-OE1 3.68Å; R91-E98 IonicContact NH2-OE1 3.26Å; S92-E98 CarbonylContact O-C 3.55Å; S92-E98 WeakPolarHBondContact O-CA 3.49Å; G95-E98 WeakPolarHBondContact O-CB 3.48Å; T96-E98 VanDerWaalsContact C-N 3.25Å; E98-L100 HydrophobicContact CG-CD2 4.35Å; E98-V115 HydrophobicContact CB-CB 4.22Å; E98-V115 HydrophobicContact CB-CG2 3.83Å; E98-V115 HydrophobicContact CG-CG2 4.06Å; E98-V115 WeakPolarHBondContact O-CB 3.08Å; E98-V115 VanDerWaalsContact O-CG2 3.32Å; E98-V115 WeakPolarHBondContact O-CG2 3.09Å; E98-V115 PolarHBondContact O-N 2.93Å | ||
| 99 | T | 89 | Confident | 84.6 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.1 | 174.3 | -53.3 | 0 | 0 | 0 | 0 | 108.5 | S92 D97 I112 Y113 F114 | S92-T99 PolarHBondContact N-O 3.34Å; S92-T99 PolarHBondContact O-N 3.04Å; D97-T99 PolarHBondContact O-N 2.94Å; T99-I112 HydrophobicContact CG2-CG2 3.85Å; T99-Y113 WeakPolarHBondContact CA-O 3.44Å; T99-F114 HydrophobicContact CG2-CD1 3.84Å; T99-F114 HydrophobicContact CG2-CE1 3.67Å; T99-F114 HydrophobicContact CG2-CG 4.42Å; T99-F114 HydrophobicContact CG2-CZ 4.13Å; T99-F114 WeakPolarHBondContact OG1-CD1 3.5Å |
| 100 | L | 91.3 | Very high | 84.8 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.1 | 174.5 | -56.9 | 177.2 | 0 | 0 | 0 | 108.7 | F90 R91 E98 I112 Y113 I177 | F90-L100 CarbonylContact O-C 3.6Å; F90-L100 WeakPolarHBondContact O-CA 3.36Å; R91-L100 HydrophobicContact CB-CD2 3.72Å; R91-L100 HydrophobicContact CG-CD2 3.67Å; R91-L100 VanDerWaalsContact NE-CD2 3.34Å; E98-L100 HydrophobicContact CG-CD2 4.35Å; L100-I112 CarbonylContact O-C 3.59Å; L100-I112 WeakPolarHBondContact O-CA 3.48Å; L100-Y113 HydrophobicContact CD1-CD1 4.13Å; L100-Y113 PolarHBondContact N-O 2.81Å; L100-Y113 PolarHBondContact O-N 2.98Å; L100-I177 HydrophobicContact CD1-CG2 4.07Å |
| 101 | E | 90.3 | Very high | 85.3 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118.8 | 170.9 | -179.6 | 168.5 | -162.9 | 0 | 0 | 109.2 | I89 F90 H103 T110 G111 I112 K123 | I89-E101 CarbonylContact C-O 3.52Å; I89-E101 WeakPolarHBondContact CA-O 3.13Å; F90-E101 HydrophobicContact CB-CB 4.24Å; F90-E101 PolarHBondContact N-O 2.79Å; F90-E101 PolarHBondContact O-N 2.65Å; E101-H103 IonicContact OE1-CE1 3.79Å; E101-H103 PolarHBondContact OE1-CE1 3.4Å; E101-H103 IonicContact OE1-NE2 3.48Å; E101-T110 HydrophobicContact CG-CG2 3.78Å; E101-G111 CarbonylContact C-O 3.54Å; E101-G111 WeakPolarHBondContact CA-O 3.4Å; E101-I112 HydrophobicContact CB-CG1 4.44Å; E101-I112 HydrophobicContact CG-CG1 4.01Å; E101-K123 IonicContact OE1-NZ 3.94Å; E101-K123 PolarHBondContact OE1-NZ 3.34Å; E101-K123 VanDerWaalsContact OE1-NZ 3.09Å |
| 102 | V | 91.4 | Very high | 85.6 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 118.4 | -173.4 | -179 | 0 | 0 | 0 | 0 | 108.1 | I89 T110 G111 K173 I174 I177 | I89-V102 HydrophobicContact CD1-CG2 4.45Å; I89-V102 HydrophobicContact CG1-CG1 4.18Å; I89-V102 HydrophobicContact CG1-CG2 4.22Å; I89-V102 HydrophobicContact CG2-CG2 4.23Å; V102-T110 CarbonylContact O-C 3.53Å; V102-T110 VanDerWaalsContact O-CA 3.31Å; V102-T110 WeakPolarHBondContact O-CA 3.3Å; V102-T110 WeakPolarHBondContact O-CG2 3.35Å; V102-G111 PolarHBondContact N-O 3.19Å; V102-G111 PolarHBondContact O-N 3.04Å; V102-K173 HydrophobicContact CG1-CB 4.41Å; V102-I174 HydrophobicContact CB-CG1 3.97Å; V102-I174 HydrophobicContact CG1-CG1 3.65Å; V102-I177 HydrophobicContact CG2-CD1 3.42Å; V102-I177 VanDerWaalsContact CG2-CD1 3.42Å |
| 103 | H | 87.1 | Confident | 86.2 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.06 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.2 | 175.4 | -60.2 | -82.4 | 0 | 0 | 0 | 109.5 | T87 E88 F90 E101 F105 T110 Q125 | T87-H103 VanDerWaalsContact CA-O 3.29Å; T87-H103 WeakPolarHBondContact CA-O 3.06Å; E88-H103 HydrophobicContact CB-CB 4.17Å; E88-H103 PolarHBondContact N-O 3.02Å; E88-H103 VanDerWaalsContact N-O 3.09Å; E88-H103 PolarHBondContact O-N 3.23Å; E88-H103 IonicContact OE2-CD2 3.4Å; F90-H103 AromaticContact CD2-CD2 3.52Å; F90-H103 AromaticContact CD2-NE2 3.37Å; F90-H103 WeakPolarHBondContact CD2-NE2 3.49Å; F90-H103 AromaticContact CE2-CD2 3.45Å; F90-H103 VanDerWaalsContact CE2-CD2 3.45Å; F90-H103 WeakPolarHBondContact CE2-CD2 3.28Å; F90-H103 AromaticContact CE2-NE2 3.31Å; F90-H103 VanDerWaalsContact CE2-NE2 3.31Å; F90-H103 WeakPolarHBondContact CE2-NE2 3.39Å; E101-H103 IonicContact OE1-CE1 3.79Å; E101-H103 PolarHBondContact OE1-CE1 3.4Å; E101-H103 IonicContact OE1-NE2 3.48Å; H103-F105 HydrophobicContact CB-CD2 3.99Å; H103-F105 HydrophobicContact CB-CE2 3.43Å; H103-F105 VanDerWaalsContact CB-CE2 3.43Å; H103-F105 HydrophobicContact CB-CZ 3.83Å; H103-T110 WeakPolarHBondContact ND1-CG2 3.31Å; H103-Q125 PolarHBondContact ND1-NE2 3.38Å; H103-Q125 PolarHBondContact ND1-OE1 3.32Å |
| 104 | D | 86.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 96.5 | 171.3 | -174.7 | -21.5 | 0 | 0 | 0 | 109 | K106 N107 G108 Y109 S172 I174 | D104-K106 VanDerWaalsContact C-N 3.31Å; D104-K106 WeakPolarHBondContact OD1-CB 3.47Å; D104-K106 PolarHBondContact OD1-N 2.9Å; D104-K106 VanDerWaalsContact OD1-N 3.12Å; D104-N107 PolarHBondContact OD1-N 2.8Å; D104-N107 PolarHBondContact OD2-ND2 2.83Å; D104-G108 WeakPolarHBondContact O-CA 3.28Å; D104-G108 PolarHBondContact O-N 3.14Å; D104-Y109 PolarHBondContact N-O 2.81Å; D104-Y109 PolarHBondContact O-N 2.89Å; D104-S172 WeakPolarHBondContact OD2-CA 3.34Å; D104-S172 WeakPolarHBondContact OD2-CB 3.2Å; D104-S172 PolarHBondContact OD2-OG 2.88Å; D104-I174 HydrophobicContact CB-CD1 3.78Å; D104-I174 HydrophobicContact CB-CG1 4.35Å |
| 105 | F | 81.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -20.5 | -177.1 | -61.6 | -97.9 | 0 | 0 | 0 | 112.6 | R86 E88 H103 Q125 K127 I129 | R86-F105 HydrophobicContact CB-CB 4.33Å; R86-F105 WeakPolarHBondContact O-CB 3.35Å; R86-F105 WeakPolarHBondContact O-CD2 3.47Å; R86-F105 PolarHBondContact O-N 2.73Å; E88-F105 HydrophobicContact CB-CE2 3.73Å; E88-F105 HydrophobicContact CB-CZ 4.38Å; E88-F105 WeakPolarHBondContact OE2-CZ 3.37Å; H103-F105 HydrophobicContact CB-CD2 3.99Å; H103-F105 HydrophobicContact CB-CE2 3.43Å; H103-F105 VanDerWaalsContact CB-CE2 3.43Å; H103-F105 HydrophobicContact CB-CZ 3.83Å; F105-Q125 HydrophobicContact CD1-CG 4.03Å; F105-Q125 HydrophobicContact CE1-CG 4.38Å; F105-Q125 VanDerWaalsContact CZ-NE2 3.34Å; F105-K127 WeakPolarHBondContact CD1-O 3.26Å; F105-K127 VanDerWaalsContact CE1-C 3.43Å; F105-K127 HydrophobicContact CE1-CB 4.07Å; F105-K127 HydrophobicContact CE1-CD 4.35Å; F105-K127 HydrophobicContact CE1-CG 4Å; F105-K127 WeakPolarHBondContact CE1-O 3.45Å; F105-K127 HydrophobicContact CZ-CD 4.19Å; F105-K127 HydrophobicContact CZ-CG 4.33Å; F105-I129 HydrophobicContact CB-CD1 4Å; F105-I129 HydrophobicContact CB-CG1 3.95Å; F105-I129 HydrophobicContact CD1-CD1 4.45Å; F105-I129 HydrophobicContact CD1-CG1 3.57Å; F105-I129 HydrophobicContact CD2-CD1 3.35Å; F105-I129 HydrophobicContact CD2-CG1 3.25Å; F105-I129 HydrophobicContact CE1-CG1 3.65Å; F105-I129 HydrophobicContact CE2-CD1 3.74Å; F105-I129 HydrophobicContact CE2-CG1 3.34Å; F105-I129 HydrophobicContact CG-CD1 3.72Å; F105-I129 HydrophobicContact CG-CG1 3.34Å; F105-I129 HydrophobicContact CZ-CD1 4.43Å; F105-I129 HydrophobicContact CZ-CG1 3.54Å |
| 106 | K | 79.9 | Confident | 87.5 | Confident | 143 Ų | 143 | 43.7 Ų | 43.7 | 62% | 0.622 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -45.9 | 176.6 | -180 | -177.7 | 175.4 | -175.2 | 0 | 110.6 | D104 | D104-K106 VanDerWaalsContact C-N 3.31Å; D104-K106 WeakPolarHBondContact OD1-CB 3.47Å; D104-K106 PolarHBondContact OD1-N 2.9Å; D104-K106 VanDerWaalsContact OD1-N 3.12Å |
| 107 | N | 80.9 | Confident | 87.8 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -14.1 | -179.1 | -62.4 | -42.1 | 0 | 0 | 0 | 112.8 | D104 Y109 | D104-N107 PolarHBondContact OD1-N 2.8Å; D104-N107 PolarHBondContact OD2-ND2 2.83Å; N107-Y109 HydrophobicContact CB-CD2 3.87Å; N107-Y109 HydrophobicContact CB-CE2 4.24Å; N107-Y109 WeakPolarHBondContact O-CD2 2.76Å; N107-Y109 WeakPolarHBondContact O-CE2 3.48Å |
| 108 | G | 82.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 32.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D104 Q125 | D104-G108 WeakPolarHBondContact O-CA 3.28Å; D104-G108 PolarHBondContact O-N 3.14Å; G108-Q125 WeakPolarHBondContact O-CB 3Å; G108-Q125 PolarHBondContact O-N 2.84Å |
| 109 | Y | 88.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.5 | 179.7 | -59.7 | -68.5 | 0 | 0 | 0 | 112.1 | D104 N107 I122 F168 L169 I174 W185 | D104-Y109 PolarHBondContact N-O 2.81Å; D104-Y109 PolarHBondContact O-N 2.89Å; N107-Y109 HydrophobicContact CB-CD2 3.87Å; N107-Y109 HydrophobicContact CB-CE2 4.24Å; N107-Y109 WeakPolarHBondContact O-CD2 2.76Å; N107-Y109 WeakPolarHBondContact O-CE2 3.48Å; Y109-I122 HydrophobicContact CD1-CG2 4.32Å; Y109-F168 HydrophobicContact CD1-CD2 4.48Å; Y109-F168 HydrophobicContact CD1-CE2 4.32Å; Y109-F168 HydrophobicContact CD2-CD2 4.03Å; Y109-F168 HydrophobicContact CD2-CE2 4.4Å; Y109-F168 HydrophobicContact CE1-CD2 4.11Å; Y109-F168 HydrophobicContact CE1-CE2 4.24Å; Y109-F168 AromaticContact CE2-CD2 3.61Å; Y109-F168 HydrophobicContact CE2-CD2 3.61Å; Y109-F168 HydrophobicContact CE2-CE2 4.33Å; Y109-F168 HydrophobicContact CG-CD2 4.45Å; Y109-F168 HydrophobicContact CG-CE2 4.4Å; Y109-F168 AromaticContact CZ-CD2 3.65Å; Y109-L169 HydrophobicContact CD2-CD2 3.93Å; Y109-L169 HydrophobicContact CG-CD2 4.23Å; Y109-I174 WeakPolarHBondContact O-CD1 3.29Å; Y109-W185 AromaticContact CD1-CH2 3.95Å; Y109-W185 HydrophobicContact CD1-CH2 3.95Å; Y109-W185 HydrophobicContact CD1-CZ3 4.24Å; Y109-W185 AromaticContact CE1-CH2 3.69Å; Y109-W185 HydrophobicContact CE1-CH2 3.69Å; Y109-W185 HydrophobicContact CE1-CZ3 4.29Å |
| 110 | T | 89.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133 | 166.5 | -33.3 | 0 | 0 | 0 | 0 | 108.8 | E101 V102 H103 I122 K123 Q125 | E101-T110 HydrophobicContact CG-CG2 3.78Å; V102-T110 CarbonylContact O-C 3.53Å; V102-T110 VanDerWaalsContact O-CA 3.31Å; V102-T110 WeakPolarHBondContact O-CA 3.3Å; V102-T110 WeakPolarHBondContact O-CG2 3.35Å; H103-T110 WeakPolarHBondContact ND1-CG2 3.31Å; T110-I122 WeakPolarHBondContact O-CA 3.49Å; T110-K123 PolarHBondContact N-O 3.48Å; T110-K123 PolarHBondContact O-N 3.08Å; T110-K123 WeakPolarHBondContact OG1-CE 3.31Å; T110-Q125 PolarHBondContact OG1-OE1 2.89Å |
| 111 | G | 92.8 | Very high | 89 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E101 V102 F121 | E101-G111 CarbonylContact C-O 3.54Å; E101-G111 WeakPolarHBondContact CA-O 3.4Å; V102-G111 PolarHBondContact N-O 3.19Å; V102-G111 PolarHBondContact O-N 3.04Å; G111-F121 CarbonylContact C-O 3.58Å; G111-F121 WeakPolarHBondContact CA-O 3.33Å |
| 112 | I | 92.6 | Very high | 89 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 110.9 | 176.5 | -52.8 | 170 | 0 | 0 | 0 | 107.7 | T99 L100 E101 F114 C120 F121 I186 | T99-I112 HydrophobicContact CG2-CG2 3.85Å; L100-I112 CarbonylContact O-C 3.59Å; L100-I112 WeakPolarHBondContact O-CA 3.48Å; E101-I112 HydrophobicContact CB-CG1 4.44Å; E101-I112 HydrophobicContact CG-CG1 4.01Å; I112-F114 HydrophobicContact CG2-CD2 4.2Å; I112-F114 HydrophobicContact CG2-CE2 3.6Å; I112-F114 HydrophobicContact CG2-CZ 3.9Å; I112-C120 CarbonylContact O-C 3.6Å; I112-C120 WeakPolarHBondContact O-CA 3.36Å; I112-F121 HydrophobicContact CB-CB 4.47Å; I112-F121 PolarHBondContact N-O 3.42Å; I112-F121 PolarHBondContact O-N 3.26Å; I112-I186 HydrophobicContact CD1-CD1 4.05Å |
| 113 | Y | 94.6 | Very high | 88.8 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.153 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.2 | 179.4 | 177.4 | -124.8 | 0 | 0 | 0 | 111 | T99 L100 V115 K119 C120 I177 V181 | T99-Y113 WeakPolarHBondContact CA-O 3.44Å; L100-Y113 HydrophobicContact CD1-CD1 4.13Å; L100-Y113 PolarHBondContact N-O 2.81Å; L100-Y113 PolarHBondContact O-N 2.98Å; Y113-V115 HydrophobicContact CD1-CG2 4.08Å; Y113-V115 HydrophobicContact CE1-CB 4.44Å; Y113-V115 HydrophobicContact CE1-CG2 3.69Å; Y113-K119 WeakPolarHBondContact CD2-O 3.37Å; Y113-C120 HydrophobicContact CD2-CB 4.31Å; Y113-I177 HydrophobicContact CD1-CG2 4.03Å; Y113-I177 HydrophobicContact CG-CG2 4.28Å; Y113-V181 HydrophobicContact CD2-CG2 3.98Å; Y113-V181 HydrophobicContact CE2-CB 4.24Å; Y113-V181 HydrophobicContact CE2-CG1 3.8Å; Y113-V181 HydrophobicContact CE2-CG2 3.8Å |
| 114 | F | 91.3 | Very high | 88.4 | Confident | 70 Ų | 70 | 48.1 Ų | 48.1 | 31% | 0.307 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111.9 | 173 | -69.7 | -83.4 | 0 | 0 | 0 | 109.5 | T99 I112 G116 L117 Q118 K119 F121 | T99-F114 HydrophobicContact CG2-CD1 3.84Å; T99-F114 HydrophobicContact CG2-CE1 3.67Å; T99-F114 HydrophobicContact CG2-CG 4.42Å; T99-F114 HydrophobicContact CG2-CZ 4.13Å; T99-F114 WeakPolarHBondContact OG1-CD1 3.5Å; I112-F114 HydrophobicContact CG2-CD2 4.2Å; I112-F114 HydrophobicContact CG2-CE2 3.6Å; I112-F114 HydrophobicContact CG2-CZ 3.9Å; F114-G116 PolarHBondContact O-N 3.4Å; F114-L117 HydrophobicContact CB-CB 3.97Å; F114-L117 HydrophobicContact CB-CD1 4.07Å; F114-L117 HydrophobicContact CB-CG 4.14Å; F114-L117 HydrophobicContact CG-CD1 4.25Å; F114-L117 PolarHBondContact O-N 3.37Å; F114-Q118 PolarHBondContact O-N 3.46Å; F114-K119 PolarHBondContact N-O 3.01Å; F114-F121 AromaticContact CD2-CD2 3.62Å; F114-F121 HydrophobicContact CD2-CD2 3.62Å; F114-F121 AromaticContact CD2-CE2 3.58Å; F114-F121 HydrophobicContact CD2-CE2 3.58Å; F114-F121 AromaticContact CE2-CD2 3.66Å; F114-F121 HydrophobicContact CE2-CD2 3.66Å; F114-F121 AromaticContact CE2-CE2 3.83Å; F114-F121 HydrophobicContact CE2-CE2 3.83Å |
| 115 | V | 89.6 | Confident | 87.3 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 24% | 0.242 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -46.4 | -176.2 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | E98 Y113 L117 Q118 | E98-V115 HydrophobicContact CB-CB 4.22Å; E98-V115 HydrophobicContact CB-CG2 3.83Å; E98-V115 HydrophobicContact CG-CG2 4.06Å; E98-V115 WeakPolarHBondContact O-CB 3.08Å; E98-V115 VanDerWaalsContact O-CG2 3.32Å; E98-V115 WeakPolarHBondContact O-CG2 3.09Å; E98-V115 PolarHBondContact O-N 2.93Å; Y113-V115 HydrophobicContact CD1-CG2 4.08Å; Y113-V115 HydrophobicContact CE1-CB 4.44Å; Y113-V115 HydrophobicContact CE1-CG2 3.69Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.45Å; V115-Q118 PolarHBondContact O-N 3.18Å |
| 116 | G | 87.6 | Confident | 86.2 | Confident | 46 Ų | 46 | 52 Ų | 52 | 47% | 0.474 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T96 F114 | T96-G116 WeakPolarHBondContact O-CA 3.31Å; T96-G116 PolarHBondContact O-N 3.25Å; F114-G116 PolarHBondContact O-N 3.4Å |
| 117 | L | 88.6 | Confident | 84.9 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 57% | 0.571 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -14.9 | 179.9 | -61.9 | 179.5 | 0 | 0 | 0 | 113.2 | F114 V115 K119 | F114-L117 HydrophobicContact CB-CB 3.97Å; F114-L117 HydrophobicContact CB-CD1 4.07Å; F114-L117 HydrophobicContact CB-CG 4.14Å; F114-L117 HydrophobicContact CG-CD1 4.25Å; F114-L117 PolarHBondContact O-N 3.37Å; V115-L117 VanDerWaalsContact C-N 3.3Å; V115-L117 PolarHBondContact O-N 3.45Å; L117-K119 HydrophobicContact CB-CB 4.19Å; L117-K119 HydrophobicContact CB-CG 4.39Å; L117-K119 WeakPolarHBondContact O-CG 3.12Å; L117-K119 PolarHBondContact O-N 3.44Å |
| 118 | Q | 92 | Very high | 83.4 | Confident | 136 Ų | 136 | 48.4 Ų | 48.4 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 42.5 | -169.2 | -58.9 | -175.8 | 7 | 0 | 0 | 111.9 | F114 V115 V181 | F114-Q118 PolarHBondContact O-N 3.46Å; V115-Q118 PolarHBondContact O-N 3.18Å; Q118-V181 HydrophobicContact CB-CG1 4.14Å; Q118-V181 WeakPolarHBondContact O-CB 3.45Å |
| 119 | K | 93.9 | Very high | 81.6 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.1 | -179.5 | -74.4 | -179.3 | -175.5 | -176.5 | 0 | 110.1 | Y113 F114 L117 F121 Y184 | Y113-K119 WeakPolarHBondContact CD2-O 3.37Å; F114-K119 PolarHBondContact N-O 3.01Å; L117-K119 HydrophobicContact CB-CB 4.19Å; L117-K119 HydrophobicContact CB-CG 4.39Å; L117-K119 WeakPolarHBondContact O-CG 3.12Å; L117-K119 PolarHBondContact O-N 3.44Å; K119-F121 HydrophobicContact CB-CE2 4.03Å; K119-F121 HydrophobicContact CB-CZ 4.08Å; K119-F121 HydrophobicContact CD-CZ 4.21Å; K119-Y184 HydrophobicContact CD-CE2 4.42Å |
| 120 | C | 95.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.1 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I112 Y113 C178 V181 T182 M183 Y184 | I112-C120 CarbonylContact O-C 3.6Å; I112-C120 WeakPolarHBondContact O-CA 3.36Å; Y113-C120 HydrophobicContact CD2-CB 4.31Å; C120-C178 HydrophobicContact CB-CB 3.52Å; C120-C178 WeakPolarHBondContact CB-SG 3.21Å; C120-C178 WeakPolarHBondContact SG-CB 3.31Å; C120-C178 CovalentContact SG-SG 2.04Å; C120-C178 PolarHBondContact SG-SG 3.4Å; C120-V181 HydrophobicContact CB-CG2 3.8Å; C120-T182 PolarHBondContact N-O 2.9Å; C120-M183 HydrophobicContact CB-CG 4.2Å; C120-M183 CarbonylContact O-C 3.49Å; C120-M183 VanDerWaalsContact O-CA 3.22Å; C120-M183 WeakPolarHBondContact O-CA 3.42Å; C120-Y184 PolarHBondContact O-N 2.89Å |
| 121 | F | 94.1 | Very high | 77 | Confident | 31 Ų | 31 | 56 Ų | 56 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131 | -179.6 | -61.9 | -76.7 | 0 | 0 | 0 | 109.5 | G111 I112 F114 K119 P158 Y184 I186 | G111-F121 CarbonylContact C-O 3.58Å; G111-F121 WeakPolarHBondContact CA-O 3.33Å; I112-F121 HydrophobicContact CB-CB 4.47Å; I112-F121 PolarHBondContact N-O 3.42Å; I112-F121 PolarHBondContact O-N 3.26Å; F114-F121 AromaticContact CD2-CD2 3.62Å; F114-F121 HydrophobicContact CD2-CD2 3.62Å; F114-F121 AromaticContact CD2-CE2 3.58Å; F114-F121 HydrophobicContact CD2-CE2 3.58Å; F114-F121 AromaticContact CE2-CD2 3.66Å; F114-F121 HydrophobicContact CE2-CD2 3.66Å; F114-F121 AromaticContact CE2-CE2 3.83Å; F114-F121 HydrophobicContact CE2-CE2 3.83Å; K119-F121 HydrophobicContact CB-CE2 4.03Å; K119-F121 HydrophobicContact CB-CZ 4.08Å; K119-F121 HydrophobicContact CD-CZ 4.21Å; F121-P158 HydrophobicContact CD1-CB 4.15Å; F121-P158 HydrophobicContact CE1-CB 3.8Å; F121-P158 HydrophobicContact CE1-CG 4.49Å; F121-Y184 CarbonylContact C-O 3.53Å; F121-Y184 WeakPolarHBondContact CA-O 3.39Å; F121-Y184 HydrophobicContact CE1-CD2 4.32Å; F121-Y184 HydrophobicContact CE1-CG 4.45Å; F121-I186 HydrophobicContact CB-CD1 4.13Å; F121-I186 HydrophobicContact CB-CG1 4.14Å; F121-I186 HydrophobicContact CB-CG2 3.77Å; F121-I186 HydrophobicContact CD1-CG2 3.56Å; F121-I186 HydrophobicContact CE1-CG2 4.47Å; F121-I186 HydrophobicContact CG-CG2 3.94Å |
| 122 | I | 90.8 | Very high | 74.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130 | -178.1 | -53.7 | -52.1 | 0 | 0 | 0 | 109.7 | Y109 T110 I163 F168 I174 M183 Y184 W185 I186 | Y109-I122 HydrophobicContact CD1-CG2 4.32Å; T110-I122 WeakPolarHBondContact O-CA 3.49Å; I122-I163 HydrophobicContact CB-CD1 4.13Å; I122-I163 HydrophobicContact CG1-CD1 3.98Å; I122-F168 HydrophobicContact CG2-CE2 4.35Å; I122-I174 HydrophobicContact CD1-CG2 3.61Å; I122-M183 HydrophobicContact CD1-CE 3.37Å; I122-M183 HydrophobicContact CG1-CE 3.31Å; I122-Y184 PolarHBondContact N-O 2.92Å; I122-W185 HydrophobicContact CB-CE3 4.11Å; I122-W185 HydrophobicContact CB-CZ3 4.13Å; I122-W185 HydrophobicContact CG2-CE3 3.95Å; I122-W185 HydrophobicContact CG2-CH2 3.79Å; I122-W185 HydrophobicContact CG2-CZ3 3.45Å; I122-W185 VanDerWaalsContact CG2-CZ3 3.45Å; I122-W185 CarbonylContact O-C 3.54Å; I122-W185 WeakPolarHBondContact O-CA 3.21Å; I122-I186 WeakPolarHBondContact O-CG1 3.26Å; I122-I186 PolarHBondContact O-N 3.2Å |
| 123 | K | 86.2 | Confident | 71.6 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 14% | 0.143 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 163.1 | 165.5 | 55.6 | -176.1 | 179.4 | -169.9 | 0 | 109.5 | E101 T110 W156 I186 | E101-K123 IonicContact OE1-NZ 3.94Å; E101-K123 PolarHBondContact OE1-NZ 3.34Å; E101-K123 VanDerWaalsContact OE1-NZ 3.09Å; T110-K123 PolarHBondContact N-O 3.48Å; T110-K123 PolarHBondContact O-N 3.08Å; T110-K123 WeakPolarHBondContact OG1-CE 3.31Å; K123-W156 HydrophobicContact CB-CE3 4.41Å; K123-W156 HydrophobicContact CB-CH2 4.4Å; K123-W156 HydrophobicContact CB-CZ3 3.86Å; K123-W156 HydrophobicContact CD-CE3 4.35Å; K123-W156 HydrophobicContact CD-CH2 3.92Å; K123-W156 HydrophobicContact CD-CZ2 4.18Å; K123-W156 HydrophobicContact CD-CZ3 4Å; K123-I186 HydrophobicContact CB-CD1 4.03Å; K123-I186 HydrophobicContact CB-CG1 3.89Å; K123-I186 HydrophobicContact CD-CD1 4.1Å; K123-I186 HydrophobicContact CG-CD1 4.19Å |
| 124 | T | 78.6 | Confident | 68.6 | Low | 84 Ų | 84 | 72.4 Ų | 72.4 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 132.9 | 166.2 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | I126 | T124-I126 PolarHBondContact O-N 3.32Å |
| 125 | Q | 64.1 | Low | 66.2 | Low | 25 Ų | 25 | 75 Ų | 75 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | trans | -73.4 | 117.2 | 176 | -178.5 | 70.5 | 6 | 0 | 0 | 109.5 | H103 F105 G108 T110 K127 | H103-Q125 PolarHBondContact ND1-NE2 3.38Å; H103-Q125 PolarHBondContact ND1-OE1 3.32Å; F105-Q125 HydrophobicContact CD1-CG 4.03Å; F105-Q125 HydrophobicContact CE1-CG 4.38Å; F105-Q125 VanDerWaalsContact CZ-NE2 3.34Å; G108-Q125 WeakPolarHBondContact O-CB 3Å; G108-Q125 PolarHBondContact O-N 2.84Å; T110-Q125 PolarHBondContact OG1-OE1 2.89Å; Q125-K127 WeakPolarHBondContact CG-O 3.39Å; Q125-K127 PolarHBondContact NE2-O 2.04Å | ||
| 126 | I | 56.5 | Low | 63.7 | Low | 93 Ų | 93 | 80.9 Ų | 80.9 | 48% | 0.477 | 43% | 0.426 | S | S | . | . | trans | -100.6 | -17 | 177.3 | 52.1 | 161.8 | 0 | 0 | 0 | 113.1 | T124 L284 | T124-I126 PolarHBondContact O-N 3.32Å; I126-L284 HydrophobicContact CD1-CB 3.92Å; I126-L284 HydrophobicContact CD1-CD2 4.41Å; I126-L284 HydrophobicContact CG2-CD1 4.31Å | ||
| 127 | K | 53.5 | Low | 61.3 | Low | 45 Ų | 45 | 87.4 Ų | 87.4 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | trans | -82.2 | 145.1 | 178.5 | -174.3 | -170.4 | -175.7 | -166 | 0 | 109 | E88 F105 Q125 Y286 | E88-K127 IonicContact OE1-NZ 2.73Å; E88-K127 PolarHBondContact OE1-NZ 2.92Å; E88-K127 IonicContact OE2-NZ 2.94Å; E88-K127 PolarHBondContact OE2-NZ 2.92Å; F105-K127 WeakPolarHBondContact CD1-O 3.26Å; F105-K127 VanDerWaalsContact CE1-C 3.43Å; F105-K127 HydrophobicContact CE1-CB 4.07Å; F105-K127 HydrophobicContact CE1-CD 4.35Å; F105-K127 HydrophobicContact CE1-CG 4Å; F105-K127 WeakPolarHBondContact CE1-O 3.45Å; F105-K127 HydrophobicContact CZ-CD 4.19Å; F105-K127 HydrophobicContact CZ-CG 4.33Å; Q125-K127 WeakPolarHBondContact CG-O 3.39Å; Q125-K127 PolarHBondContact NE2-O 2.04Å; K127-Y286 HydrophobicContact CD-CD2 4.2Å; K127-Y286 HydrophobicContact CD-CE2 4.22Å; K127-Y286 HydrophobicContact CG-CD1 4.41Å; K127-Y286 HydrophobicContact CG-CD2 3.69Å; K127-Y286 HydrophobicContact CG-CE2 4.05Å; K127-Y286 HydrophobicContact CG-CG 3.9Å | ||
| 128 | V | 49.4 | Very low | 58.8 | Low | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.448 | 46% | 0.462 | S | S | . | . | trans | -115.2 | 139 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | Y286 | V128-Y286 WeakPolarHBondContact O-CD1 3.3Å; V128-Y286 VanDerWaalsContact O-CE1 3.28Å; V128-Y286 WeakPolarHBondContact O-CE1 3.44Å | ||
| 129 | I | 45.7 | Very low | 56.1 | Low | 33 Ų | 33 | 92 Ų | 92 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | trans | -68.3 | 126.9 | 174.9 | -57.4 | -179.2 | 0 | 0 | 0 | 108.3 | R86 F105 E131 | R86-I129 VanDerWaalsContact CA-CD1 3.45Å; R86-I129 HydrophobicContact CB-CD1 3.68Å; R86-I129 HydrophobicContact CG-CD1 4.29Å; F105-I129 HydrophobicContact CB-CD1 4Å; F105-I129 HydrophobicContact CB-CG1 3.95Å; F105-I129 HydrophobicContact CD1-CD1 4.45Å; F105-I129 HydrophobicContact CD1-CG1 3.57Å; F105-I129 HydrophobicContact CD2-CD1 3.35Å; F105-I129 HydrophobicContact CD2-CG1 3.25Å; F105-I129 HydrophobicContact CE1-CG1 3.65Å; F105-I129 HydrophobicContact CE2-CD1 3.74Å; F105-I129 HydrophobicContact CE2-CG1 3.34Å; F105-I129 HydrophobicContact CG-CD1 3.72Å; F105-I129 HydrophobicContact CG-CG1 3.34Å; F105-I129 HydrophobicContact CZ-CD1 4.43Å; F105-I129 HydrophobicContact CZ-CG1 3.54Å; I129-E131 PolarHBondContact O-N 2.04Å | ||
| 130 | P | 41 | Very low | 53.2 | Low | 43 Ų | 43 | 93.8 Ų | 93.8 | 28% | 0.279 | 48% | 0.48 | S | S | . | . | trans | -61.9 | 130.3 | 172.7 | 24.2 | -29.5 | 0 | 0 | 0 | 110 | F132 Y286 | P130-F132 HydrophobicContact CG-CZ 4.49Å; P130-F132 PolarHBondContact O-N 3.28Å; P130-F132 VanDerWaalsContact O-N 3.16Å; P130-Y286 HydrophobicContact CG-CE1 4.39Å | ||
| 131 | E | 38.3 | Very low | 50.5 | Low | 168 Ų | 168 | 102.9 Ų | 102.9 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | trans | -70.1 | 109.7 | 172.5 | -74.3 | -174.5 | 163.7 | 0 | 0 | 108.5 | I129 S133 | I129-E131 PolarHBondContact O-N 2.04Å; E131-S133 PolarHBondContact O-N 2.9Å | ||
| 132 | F | 42 | Very low | 47.9 | Very low | 138 Ų | 138 | 107.6 Ų | 107.6 | 61% | 0.605 | 55% | 0.548 | S | S | * | . | trans | -72 | 78.4 | 175.3 | -66.9 | -82.3 | 0 | 0 | 0 | 110.3 | P130 | P130-F132 HydrophobicContact CG-CZ 4.49Å; P130-F132 PolarHBondContact O-N 3.28Å; P130-F132 VanDerWaalsContact O-N 3.16Å | ||
| 133 | S | 31.7 | Very low | 45.2 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | trans | -125.1 | 113.7 | 162.1 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | E131 | E131-S133 PolarHBondContact O-N 2.9Š| ||
| 134 | E | 30.6 | Very low | 42.6 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 85% | 0.846 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 100.3 | 137.4 | 173.3 | -57.2 | -175.5 | -177.5 | 0 | 0 | 116.1 | E136 | E134-E136 PolarHBondContact O-N 2.9Š|
| 135 | P | 41.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 127 | -174.2 | 30.2 | -32 | 0 | 0 | 0 | 110.1 | E137 | P135-E137 PolarHBondContact O-N 3.5Š|
| 136 | E | 37.3 | Very low | 39.4 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 127.8 | 179.3 | -68.3 | 169 | 163.4 | 0 | 0 | 110.9 | E134 | E134-E136 PolarHBondContact O-N 2.9Š|
| 137 | E | 35.9 | Very low | 38.3 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.5 | 162.5 | -71.7 | -177.5 | 161.4 | 0 | 0 | 109.6 | P135 I139 | P135-E137 PolarHBondContact O-N 3.5Å; E137-I139 PolarHBondContact O-N 3.37Å |
| 138 | E | 37.3 | Very low | 37.4 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 94% | 0.944 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 121.1 | -174.2 | -64.8 | 178.1 | 164.2 | 0 | 0 | 112.5 | ||
| 139 | I | 34.4 | Very low | 36.4 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 120.7 | 176.4 | -61.5 | 169 | 0 | 0 | 0 | 108.4 | E137 | E137-I139 PolarHBondContact O-N 3.37Š|
| 140 | D | 32.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.3 | 174 | -173.8 | 2.2 | 0 | 0 | 0 | 110.6 | N142 | D140-N142 PolarHBondContact O-N 3.23Å; D140-N142 PolarHBondContact OD1-ND2 3.43Å |
| 141 | E | 39 | Very low | 35.8 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 10.4 | -171.9 | -63.1 | -176.4 | 152.2 | 0 | 0 | 114.4 | ||
| 142 | N | 38.6 | Very low | 35.9 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 3.8 | -167.1 | -63.7 | -58.8 | 0 | 0 | 0 | 116.6 | D140 E144 | D140-N142 PolarHBondContact O-N 3.23Å; D140-N142 PolarHBondContact OD1-ND2 3.43Å; N142-E144 PolarHBondContact O-N 2.84Å |
| 143 | E | 34.3 | Very low | 36.4 | Very low | 196 Ų | 196 | 144 Ų | 144 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -87.7 | 93.8 | 170.1 | -92.6 | -171.7 | 166 | 0 | 0 | 111.8 | I145 | E143-I145 PolarHBondContact O-N 3.06Š| ||
| 144 | E | 32.8 | Very low | 37.8 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -57.6 | 101.2 | 176.3 | -142 | 172.8 | -168.6 | 0 | 0 | 111.9 | N142 T146 | N142-E144 PolarHBondContact O-N 2.84Å; E144-T146 PolarHBondContact O-N 3.34Å | ||
| 145 | I | 39.9 | Very low | 39.6 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | trans | 18.7 | 94.3 | 144.2 | -46.3 | 160 | 0 | 0 | 0 | 115.3 | E143 T148 | E143-I145 PolarHBondContact O-N 3.06Å; I145-T148 HydrophobicContact CG2-CG2 4.09Å | ||
| 146 | T | 34.8 | Very low | 41.3 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | trans | -120.7 | 12.7 | 165.6 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | E144 | E144-T146 PolarHBondContact O-N 3.34Š| ||
| 147 | T | 33.4 | Very low | 43.5 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -82.4 | -11 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | F149 | T147-F149 VanDerWaalsContact C-N 3.32Å; T147-F149 PolarHBondContact O-N 3.3Å |
| 148 | T | 34.2 | Very low | 45.9 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 44% | 0.442 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -76.9 | -12.3 | -176.5 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | I145 Q152 | I145-T148 HydrophobicContact CG2-CG2 4.09Å; T148-Q152 VanDerWaalsContact O-CG 3.25Å; T148-Q152 WeakPolarHBondContact O-CG 3.24Å |
| 149 | F | 28.9 | Very low | 48.3 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 69% | 0.689 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -81.9 | -20.1 | -168.8 | -109.9 | -87.4 | 0 | 0 | 0 | 115.8 | T147 | T147-F149 VanDerWaalsContact C-N 3.32Å; T147-F149 PolarHBondContact O-N 3.3Å |
| 150 | F | 33.9 | Very low | 50.9 | Low | 175 Ų | 175 | 120 Ų | 120 | 77% | 0.768 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -26.7 | -176.2 | -104.1 | -85.2 | 0 | 0 | 0 | 115 | Q152 S153 | F150-Q152 PolarHBondContact O-N 3.09Å; F150-S153 PolarHBondContact O-OG 3.04Å |
| 151 | E | 40 | Very low | 53.7 | Low | 175 Ų | 175 | 121.8 Ų | 121.8 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -69.5 | -21.1 | 169.8 | -72.6 | -169.7 | 155.4 | 0 | 0 | 112.4 | S153 | E151-S153 PolarHBondContact O-N 2.93Š|
| 152 | Q | 41.6 | Very low | 56.3 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -69.6 | -10.5 | 178.7 | -73.7 | 173.5 | -12.7 | 0 | 0 | 114.6 | T148 F150 | T148-Q152 VanDerWaalsContact O-CG 3.25Å; T148-Q152 WeakPolarHBondContact O-CG 3.24Å; F150-Q152 PolarHBondContact O-N 3.09Å |
| 153 | S | 50.5 | Low | 58.9 | Low | 43 Ų | 43 | 110.3 Ų | 110.3 | 30% | 0.301 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -110.8 | -0.8 | -174.3 | 67.4 | 0 | 0 | 0 | 0 | 115.4 | F150 E151 I191 | F150-S153 PolarHBondContact O-OG 3.04Å; E151-S153 PolarHBondContact O-N 2.93Å; S153-I191 PolarHBondContact O-N 2.85Å |
| 154 | V | 61.2 | Low | 61.6 | Low | 37 Ų | 37 | 109.5 Ų | 109.5 | 22% | 0.224 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 116.4 | -177.2 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | P188 L190 | V154-P188 HydrophobicContact CG1-CB 3.44Å; V154-P188 VanDerWaalsContact CG1-CB 3.44Å; V154-L190 HydrophobicContact CG2-CD2 4.02Å |
| 155 | I | 70.1 | Confident | 64.4 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126 | 173.2 | -60.6 | 176.6 | 0 | 0 | 0 | 108.2 | V157 T189 I191 | I155-V157 HydrophobicContact CG2-CG2 3.91Å; I155-V157 PolarHBondContact O-N 2.71Å; I155-T189 PolarHBondContact N-O 3.22Å; I155-T189 PolarHBondContact O-N 3.08Å; I155-I191 HydrophobicContact CD1-CD1 3.51Å; I155-I191 HydrophobicContact CD1-CG1 3.56Å; I155-I191 HydrophobicContact CG1-CD1 3.64Å; I155-I191 HydrophobicContact CG1-CG1 3.71Å |
| 156 | W | 77.4 | Confident | 66.9 | Low | 97 Ų | 97 | 102.5 Ų | 102.5 | 37% | 0.367 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 109.3 | 173.5 | -67.9 | 92.4 | 0 | 0 | 0 | 109.7 | K123 I186 P188 | K123-W156 HydrophobicContact CB-CE3 4.41Å; K123-W156 HydrophobicContact CB-CH2 4.4Å; K123-W156 HydrophobicContact CB-CZ3 3.86Å; K123-W156 HydrophobicContact CD-CE3 4.35Å; K123-W156 HydrophobicContact CD-CH2 3.92Å; K123-W156 HydrophobicContact CD-CZ2 4.18Å; K123-W156 HydrophobicContact CD-CZ3 4Å; W156-I186 HydrophobicContact CB-CB 4.41Å; W156-I186 HydrophobicContact CB-CD1 4.25Å; W156-I186 HydrophobicContact CD2-CD1 4.31Å; W156-I186 HydrophobicContact CE3-CB 4.33Å; W156-I186 HydrophobicContact CE3-CD1 4.01Å; W156-I186 HydrophobicContact CE3-CG1 4.22Å; W156-I186 HydrophobicContact CG-CD1 4.43Å; W156-P188 HydrophobicContact CE3-CB 4.23Å; W156-P188 HydrophobicContact CH2-CB 3.96Å; W156-P188 HydrophobicContact CH2-CG 4.2Å; W156-P188 HydrophobicContact CZ2-CB 4.29Å; W156-P188 HydrophobicContact CZ3-CB 3.94Å; W156-P188 HydrophobicContact CZ3-CG 4.07Å |
| 157 | V | 81.6 | Confident | 69.5 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125 | -176.4 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | I155 I186 N187 T189 | I155-V157 HydrophobicContact CG2-CG2 3.91Å; I155-V157 PolarHBondContact O-N 2.71Å; V157-I186 WeakPolarHBondContact O-CA 3.4Å; V157-N187 PolarHBondContact N-O 2.7Å; V157-N187 PolarHBondContact O-N 3.43Å; V157-T189 WeakPolarHBondContact CG2-OG1 3.43Å |
| 158 | P | 88.1 | Confident | 72 | Confident | 66 Ų | 66 | 97.6 Ų | 97.6 | 43% | 0.429 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 141.5 | 175.6 | 29.3 | -33.9 | 0 | 0 | 0 | 111.1 | F121 W185 I186 | F121-P158 HydrophobicContact CD1-CB 4.15Å; F121-P158 HydrophobicContact CE1-CB 3.8Å; F121-P158 HydrophobicContact CE1-CG 4.49Å; P158-W185 CarbonylContact C-O 3.49Å; P158-W185 WeakPolarHBondContact CA-O 3.37Å; P158-I186 HydrophobicContact CB-CG2 4.05Å |
| 159 | A | 87.5 | Confident | 74.7 | Confident | 31 Ų | 31 | 94.1 Ų | 94.1 | 26% | 0.256 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K161 Y184 W185 | A159-K161 VanDerWaalsContact C-N 3.25Å; A159-K161 PolarHBondContact O-N 2.91Å; A159-Y184 WeakPolarHBondContact O-CD1 3.43Å; A159-W185 HydrophobicContact CB-CB 4.13Å; A159-W185 WeakPolarHBondContact CB-O 3.42Å; A159-W185 PolarHBondContact N-O 3.3Å |
| 160 | E | 88.2 | Confident | 77.5 | Confident | 190 Ų | 190 | 92.1 Ų | 92.1 | 89% | 0.888 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -33.4 | -178.7 | -63.7 | 179.4 | 174.6 | 0 | 0 | 112.9 | ||
| 161 | K | 92.1 | Very high | 80 | Confident | 157 Ų | 157 | 90.9 Ų | 90.9 | 68% | 0.683 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.4 | -177.3 | -65.3 | -175.6 | -177.3 | 179.6 | 0 | 111.2 | A159 | A159-K161 VanDerWaalsContact C-N 3.25Å; A159-K161 PolarHBondContact O-N 2.91Å |
| 162 | P | 94.3 | Very high | 82.4 | Confident | 60 Ų | 60 | 82.7 Ų | 82.7 | 39% | 0.39 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 160.3 | 174 | 30.3 | -34.8 | 0 | 0 | 0 | 111.4 | E164 M183 Y184 | P162-E164 PolarHBondContact O-N 3.4Å; P162-M183 CarbonylContact C-O 3.59Å; P162-M183 WeakPolarHBondContact CA-O 3.43Å; P162-M183 WeakPolarHBondContact CB-O 2.97Å; P162-Y184 HydrophobicContact CB-CD1 4.29Å; P162-Y184 HydrophobicContact CB-CE1 3.86Å; P162-Y184 HydrophobicContact CG-CE1 4.46Å |
| 163 | I | 92.3 | Very high | 84.7 | Confident | 19 Ų | 19 | 78.5 Ų | 78.5 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | trans | -73.6 | 112.3 | 175.7 | -58.8 | -178.4 | 0 | 0 | 0 | 108.9 | I122 N165 R166 F168 M183 W185 | I122-I163 HydrophobicContact CB-CD1 4.13Å; I122-I163 HydrophobicContact CG1-CD1 3.98Å; I163-N165 VanDerWaalsContact CG2-O 3.28Å; I163-N165 WeakPolarHBondContact CG2-O 3.5Å; I163-R166 HydrophobicContact CG2-CG 4.45Å; I163-F168 HydrophobicContact CD1-CZ 4.17Å; I163-F168 HydrophobicContact CG2-CE1 3.72Å; I163-F168 HydrophobicContact CG2-CZ 4.2Å; I163-M183 HydrophobicContact CB-CB 4.07Å; I163-M183 HydrophobicContact CD1-CB 4.12Å; I163-M183 HydrophobicContact CG1-CB 4.28Å; I163-M183 PolarHBondContact N-O 3.29Å; I163-W185 HydrophobicContact CD1-CD2 3.9Å; I163-W185 HydrophobicContact CD1-CG 3.88Å; I163-W185 HydrophobicContact CD1-CZ2 4.23Å; I163-W185 VanDerWaalsContact CG1-CD1 3.48Å; I163-W185 HydrophobicContact CG1-CG 4.13Å | ||
| 164 | E | 91.1 | Very high | 86.8 | Confident | 179 Ų | 179 | 76.5 Ų | 76.5 | 84% | 0.836 | 38% | 0.382 | S | S | * | . | trans | -80.3 | -48 | 177.2 | -63.1 | 179 | -176.4 | 0 | 0 | 111.7 | P162 | P162-E164 PolarHBondContact O-N 3.4Š| ||
| 165 | N | 90.9 | Very high | 88.3 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | trans | -92.2 | 112.8 | -179.5 | -173.7 | -16.7 | 0 | 0 | 0 | 110.6 | I163 D167 F168 | I163-N165 VanDerWaalsContact CG2-O 3.28Å; I163-N165 WeakPolarHBondContact CG2-O 3.5Å; N165-D167 WeakPolarHBondContact OD1-CB 3.36Å; N165-D167 VanDerWaalsContact OD1-CG 3.28Å; N165-D167 PolarHBondContact OD1-N 2.98Å; N165-F168 VanDerWaalsContact O-CD1 3.32Å; N165-F168 WeakPolarHBondContact O-CD1 3.34Å; N165-F168 WeakPolarHBondContact O-CE1 3.48Å | ||
| 166 | R | 92 | Very high | 89.4 | Confident | 60 Ų | 60 | 79 Ų | 79 | 23% | 0.226 | 39% | 0.39 | C | S | . | . | trans | -103.1 | 6.7 | -177.9 | -54.9 | 174.4 | 71.4 | 170.6 | 9.2 | 113.2 | I163 F168 L169 L175 C178 D179 M183 | I163-R166 HydrophobicContact CG2-CG 4.45Å; R166-F168 PolarHBondContact O-N 3.48Å; R166-L169 PolarHBondContact O-N 3.49Å; R166-L175 HydrophobicContact CB-CD1 4.36Å; R166-C178 VanDerWaalsContact NH2-C 3.29Å; R166-C178 PolarHBondContact NH2-O 3.34Å; R166-D179 PolarHBondContact NH1-O 3.33Å; R166-D179 IonicContact NH1-OD1 2.8Å; R166-D179 VanDerWaalsContact NH2-CA 3.31Å; R166-D179 PolarHBondContact NH2-O 2.99Å; R166-M183 HydrophobicContact CG-SD 4.28Å; R166-M183 PolarHBondContact NE-SD 3.17Å; R166-M183 PolarHBondContact NH2-SD 2.91Å | ||
| 167 | D | 89.8 | Confident | 90.1 | Very high | 86 Ų | 86 | 76.8 Ų | 76.8 | 46% | 0.46 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -63.9 | -26.4 | -173.8 | -74.1 | -7.5 | 0 | 0 | 0 | 113.2 | N165 L169 K170 | N165-D167 WeakPolarHBondContact OD1-CB 3.36Å; N165-D167 VanDerWaalsContact OD1-CG 3.28Å; N165-D167 PolarHBondContact OD1-N 2.98Å; D167-L169 PolarHBondContact O-N 3.21Å; D167-K170 HydrophobicContact CB-CD 3.98Å; D167-K170 VanDerWaalsContact O-CB 3.23Å; D167-K170 WeakPolarHBondContact O-CB 3.33Å; D167-K170 WeakPolarHBondContact O-CD 2.91Å; D167-K170 VanDerWaalsContact O-CG 3.29Å; D167-K170 WeakPolarHBondContact O-CG 3.42Å; D167-K170 PolarHBondContact O-N 3.43Å; D167-K170 WeakPolarHBondContact OD1-CE 3.42Å; D167-K170 IonicContact OD1-NZ 2.95Å; D167-K170 PolarHBondContact OD1-NZ 2.92Å; D167-K170 IonicContact OD2-NZ 3.86Å; D167-K170 PolarHBondContact OD2-NZ 2.89Å |
| 168 | F | 87.3 | Confident | 90.6 | Very high | 55 Ų | 55 | 73.8 Ų | 73.8 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -66.4 | -16 | 176.8 | 70.2 | -89 | 0 | 0 | 0 | 113.3 | Y109 I122 I163 N165 R166 W185 | Y109-F168 HydrophobicContact CD1-CD2 4.48Å; Y109-F168 HydrophobicContact CD1-CE2 4.32Å; Y109-F168 HydrophobicContact CD2-CD2 4.03Å; Y109-F168 HydrophobicContact CD2-CE2 4.4Å; Y109-F168 HydrophobicContact CE1-CD2 4.11Å; Y109-F168 HydrophobicContact CE1-CE2 4.24Å; Y109-F168 AromaticContact CE2-CD2 3.61Å; Y109-F168 HydrophobicContact CE2-CD2 3.61Å; Y109-F168 HydrophobicContact CE2-CE2 4.33Å; Y109-F168 HydrophobicContact CG-CD2 4.45Å; Y109-F168 HydrophobicContact CG-CE2 4.4Å; Y109-F168 AromaticContact CZ-CD2 3.65Å; I122-F168 HydrophobicContact CG2-CE2 4.35Å; I163-F168 HydrophobicContact CD1-CZ 4.17Å; I163-F168 HydrophobicContact CG2-CE1 3.72Å; I163-F168 HydrophobicContact CG2-CZ 4.2Å; N165-F168 VanDerWaalsContact O-CD1 3.32Å; N165-F168 WeakPolarHBondContact O-CD1 3.34Å; N165-F168 WeakPolarHBondContact O-CE1 3.48Å; R166-F168 PolarHBondContact O-N 3.48Å; F168-W185 HydrophobicContact CE1-CZ2 4.01Å; F168-W185 AromaticContact CE2-CH2 3.76Å; F168-W185 HydrophobicContact CE2-CH2 3.76Å; F168-W185 AromaticContact CE2-CZ2 3.8Å; F168-W185 HydrophobicContact CE2-CZ2 3.8Å; F168-W185 AromaticContact CZ-CH2 3.92Å; F168-W185 HydrophobicContact CZ-CH2 3.92Å; F168-W185 AromaticContact CZ-CZ2 3.49Å; F168-W185 HydrophobicContact CZ-CZ2 3.49Å; F168-W185 VanDerWaalsContact CZ-CZ2 3.49Å |
| 169 | L | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -100.1 | 8.8 | 174.3 | -59.8 | 175.4 | 0 | 0 | 0 | 112.7 | Y109 R166 D167 N171 S172 I174 L175 M183 | Y109-L169 HydrophobicContact CD2-CD2 3.93Å; Y109-L169 HydrophobicContact CG-CD2 4.23Å; R166-L169 PolarHBondContact O-N 3.49Å; D167-L169 PolarHBondContact O-N 3.21Å; L169-N171 PolarHBondContact O-N 3.36Å; L169-N171 VanDerWaalsContact O-N 3.11Å; L169-S172 VanDerWaalsContact O-CB 3.27Å; L169-S172 WeakPolarHBondContact O-CB 3.5Å; L169-S172 PolarHBondContact O-N 3.1Å; L169-I174 HydrophobicContact CD1-CG2 4.04Å; L169-I174 HydrophobicContact CD2-CB 4.45Å; L169-I174 HydrophobicContact CD2-CD1 4.42Å; L169-L175 HydrophobicContact CB-CB 3.89Å; L169-L175 HydrophobicContact CB-CD1 4.5Å; L169-L175 HydrophobicContact CB-CD2 4.48Å; L169-M183 HydrophobicContact CD1-CE 3.22Å; L169-M183 HydrophobicContact CD1-SD 4.16Å |
| 170 | K | 86.8 | Confident | 91.1 | Very high | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 119.7 | 172.4 | -77.6 | 169.5 | 170.6 | 167.4 | 0 | 108.4 | D167 | D167-K170 HydrophobicContact CB-CD 3.98Å; D167-K170 VanDerWaalsContact O-CB 3.23Å; D167-K170 WeakPolarHBondContact O-CB 3.33Å; D167-K170 WeakPolarHBondContact O-CD 2.91Å; D167-K170 VanDerWaalsContact O-CG 3.29Å; D167-K170 WeakPolarHBondContact O-CG 3.42Å; D167-K170 PolarHBondContact O-N 3.43Å; D167-K170 WeakPolarHBondContact OD1-CE 3.42Å; D167-K170 IonicContact OD1-NZ 2.95Å; D167-K170 PolarHBondContact OD1-NZ 2.92Å; D167-K170 IonicContact OD2-NZ 3.86Å; D167-K170 PolarHBondContact OD2-NZ 2.89Å |
| 171 | N | 86.5 | Confident | 91.3 | Very high | 149 Ų | 149 | 72.8 Ų | 72.8 | 80% | 0.797 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 25.8 | -172.7 | -38.9 | -60 | 0 | 0 | 0 | 115.6 | L169 | L169-N171 PolarHBondContact O-N 3.36Å; L169-N171 VanDerWaalsContact O-N 3.11Å |
| 172 | S | 90.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | trans | -107.7 | 140.1 | 170.4 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | D104 L169 I174 L175 | D104-S172 WeakPolarHBondContact OD2-CA 3.34Å; D104-S172 WeakPolarHBondContact OD2-CB 3.2Å; D104-S172 PolarHBondContact OD2-OG 2.88Å; L169-S172 VanDerWaalsContact O-CB 3.27Å; L169-S172 WeakPolarHBondContact O-CB 3.5Å; L169-S172 PolarHBondContact O-N 3.1Å; S172-I174 PolarHBondContact O-N 3.38Å; S172-I174 WeakPolarHBondContact OG-CB 3.3Å; S172-I174 PolarHBondContact OG-N 3.35Å; S172-L175 PolarHBondContact O-N 3.35Å; S172-L175 VanDerWaalsContact O-N 3.09Å | ||
| 173 | K | 91.1 | Very high | 91.4 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -21.3 | 171.2 | -161.1 | 162.8 | 178 | -164.4 | 0 | 111.8 | E80 I89 V102 L175 E176 I177 | E80-K173 IonicContact OE1-NZ 3.96Å; E80-K173 PolarHBondContact OE1-NZ 3.09Å; E80-K173 IonicContact OE2-NZ 2.96Å; I89-K173 HydrophobicContact CD1-CD 3.74Å; I89-K173 HydrophobicContact CD1-CG 4.32Å; V102-K173 HydrophobicContact CG1-CB 4.41Å; K173-L175 VanDerWaalsContact C-N 3.35Å; K173-E176 PolarHBondContact O-N 3.36Å; K173-I177 HydrophobicContact CG-CD1 4.34Å; K173-I177 PolarHBondContact O-N 3Å |
| 174 | I | 92.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 172.8 | -61 | 167.6 | 0 | 0 | 0 | 110.7 | V102 D104 Y109 I122 L169 S172 E176 I177 C178 M183 | V102-I174 HydrophobicContact CB-CG1 3.97Å; V102-I174 HydrophobicContact CG1-CG1 3.65Å; D104-I174 HydrophobicContact CB-CD1 3.78Å; D104-I174 HydrophobicContact CB-CG1 4.35Å; Y109-I174 WeakPolarHBondContact O-CD1 3.29Å; I122-I174 HydrophobicContact CD1-CG2 3.61Å; L169-I174 HydrophobicContact CD1-CG2 4.04Å; L169-I174 HydrophobicContact CD2-CB 4.45Å; L169-I174 HydrophobicContact CD2-CD1 4.42Å; S172-I174 PolarHBondContact O-N 3.38Å; S172-I174 WeakPolarHBondContact OG-CB 3.3Å; S172-I174 PolarHBondContact OG-N 3.35Å; I174-E176 VanDerWaalsContact C-N 3.34Å; I174-I177 PolarHBondContact O-N 3.16Å; I174-C178 VanDerWaalsContact O-CB 3.3Å; I174-C178 WeakPolarHBondContact O-CB 3.26Å; I174-C178 PolarHBondContact O-N 3.16Å; I174-M183 HydrophobicContact CG2-CE 4.45Å |
| 175 | L | 94.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179 | -174.1 | 60.6 | 0 | 0 | 0 | 110.7 | R166 L169 S172 K173 I177 C178 D179 | R166-L175 HydrophobicContact CB-CD1 4.36Å; L169-L175 HydrophobicContact CB-CB 3.89Å; L169-L175 HydrophobicContact CB-CD1 4.5Å; L169-L175 HydrophobicContact CB-CD2 4.48Å; S172-L175 PolarHBondContact O-N 3.35Å; S172-L175 VanDerWaalsContact O-N 3.09Å; K173-L175 VanDerWaalsContact C-N 3.35Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 2.91Å; L175-C178 PolarHBondContact O-N 2.78Å; L175-D179 VanDerWaalsContact O-CA 3.31Å; L175-D179 WeakPolarHBondContact O-CA 3.4Å; L175-D179 VanDerWaalsContact O-CB 3.26Å; L175-D179 WeakPolarHBondContact O-CB 3.44Å; L175-D179 PolarHBondContact O-N 2.95Å |
| 176 | E | 92 | Very high | 91.2 | Very high | 149 Ų | 149 | 58.1 Ų | 58.1 | 70% | 0.696 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.6 | -41 | 177.8 | -61.8 | 177.2 | -178.9 | 0 | 0 | 112.2 | K173 I174 | K173-E176 PolarHBondContact O-N 3.36Å; I174-E176 VanDerWaalsContact C-N 3.34Å |
| 177 | I | 91.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -78 | -39.6 | -179.4 | -69.5 | 165.2 | 0 | 0 | 0 | 111.4 | I89 L100 V102 Y113 K173 I174 L175 | I89-I177 HydrophobicContact CD1-CD1 4.25Å; L100-I177 HydrophobicContact CD1-CG2 4.07Å; V102-I177 HydrophobicContact CG2-CD1 3.42Å; V102-I177 VanDerWaalsContact CG2-CD1 3.42Å; Y113-I177 HydrophobicContact CD1-CG2 4.03Å; Y113-I177 HydrophobicContact CG-CG2 4.28Å; K173-I177 HydrophobicContact CG-CD1 4.34Å; K173-I177 PolarHBondContact O-N 3Å; I174-I177 PolarHBondContact O-N 3.16Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 2.91Å |
| 178 | C | 93.8 | Very high | 90 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -97.6 | 6.6 | -173.2 | -64.3 | 0 | 0 | 0 | 0 | 114.4 | C120 R166 I174 L175 N180 V181 M183 | C120-C178 HydrophobicContact CB-CB 3.52Å; C120-C178 WeakPolarHBondContact CB-SG 3.21Å; C120-C178 WeakPolarHBondContact SG-CB 3.31Å; C120-C178 CovalentContact SG-SG 2.04Å; C120-C178 PolarHBondContact SG-SG 3.4Å; R166-C178 VanDerWaalsContact NH2-C 3.29Å; R166-C178 PolarHBondContact NH2-O 3.34Å; I174-C178 VanDerWaalsContact O-CB 3.3Å; I174-C178 WeakPolarHBondContact O-CB 3.26Å; I174-C178 PolarHBondContact O-N 3.16Å; L175-C178 PolarHBondContact O-N 2.78Å; C178-N180 VanDerWaalsContact C-N 3.3Å; C178-N180 PolarHBondContact O-N 3Å; C178-V181 HydrophobicContact CB-CG2 3.92Å; C178-V181 WeakPolarHBondContact O-CG2 3.34Å; C178-V181 PolarHBondContact O-N 2.96Å; C178-V181 VanDerWaalsContact O-N 3.14Å; C178-M183 HydrophobicContact CB-CE 4.45Å; C178-M183 HydrophobicContact CB-SD 4.48Å |
| 179 | D | 92.3 | Very high | 88.9 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -41.6 | -168.4 | -160.1 | 32.6 | 0 | 0 | 0 | 113.3 | R166 L175 V181 | R166-D179 PolarHBondContact NH1-O 3.33Å; R166-D179 IonicContact NH1-OD1 2.8Å; R166-D179 VanDerWaalsContact NH2-CA 3.31Å; R166-D179 PolarHBondContact NH2-O 2.99Å; L175-D179 VanDerWaalsContact O-CA 3.31Å; L175-D179 WeakPolarHBondContact O-CA 3.4Å; L175-D179 VanDerWaalsContact O-CB 3.26Å; L175-D179 WeakPolarHBondContact O-CB 3.44Å; L175-D179 PolarHBondContact O-N 2.95Å; D179-V181 PolarHBondContact O-N 3.5Å |
| 180 | N | 92.3 | Very high | 87.5 | Confident | 160 Ų | 160 | 66 Ų | 66 | 86% | 0.856 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5 | -174.5 | -66.7 | -35.4 | 0 | 0 | 0 | 114.6 | C178 | C178-N180 VanDerWaalsContact C-N 3.3Å; C178-N180 PolarHBondContact O-N 3Å |
| 181 | V | 93.4 | Very high | 85.9 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -123.9 | 156.5 | -172.6 | -64 | 0 | 0 | 0 | 0 | 112.9 | Y113 Q118 C120 C178 D179 | Y113-V181 HydrophobicContact CD2-CG2 3.98Å; Y113-V181 HydrophobicContact CE2-CB 4.24Å; Y113-V181 HydrophobicContact CE2-CG1 3.8Å; Y113-V181 HydrophobicContact CE2-CG2 3.8Å; Q118-V181 HydrophobicContact CB-CG1 4.14Å; Q118-V181 WeakPolarHBondContact O-CB 3.45Å; C120-V181 HydrophobicContact CB-CG2 3.8Å; C178-V181 HydrophobicContact CB-CG2 3.92Å; C178-V181 WeakPolarHBondContact O-CG2 3.34Å; C178-V181 PolarHBondContact O-N 2.96Å; C178-V181 VanDerWaalsContact O-N 3.14Å; D179-V181 PolarHBondContact O-N 3.5Å |
| 182 | T | 93.3 | Very high | 84.1 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 133.4 | 177 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | C120 | C120-T182 PolarHBondContact N-O 2.9Å |
| 183 | M | 94.7 | Very high | 82 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.02 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.3 | -177.6 | -59.9 | -176.1 | 72.6 | 0 | 0 | 110.7 | C120 I122 P162 I163 R166 L169 I174 C178 | C120-M183 HydrophobicContact CB-CG 4.2Å; C120-M183 CarbonylContact O-C 3.49Å; C120-M183 VanDerWaalsContact O-CA 3.22Å; C120-M183 WeakPolarHBondContact O-CA 3.42Å; I122-M183 HydrophobicContact CD1-CE 3.37Å; I122-M183 HydrophobicContact CG1-CE 3.31Å; P162-M183 CarbonylContact C-O 3.59Å; P162-M183 WeakPolarHBondContact CA-O 3.43Å; P162-M183 WeakPolarHBondContact CB-O 2.97Å; I163-M183 HydrophobicContact CB-CB 4.07Å; I163-M183 HydrophobicContact CD1-CB 4.12Å; I163-M183 HydrophobicContact CG1-CB 4.28Å; I163-M183 PolarHBondContact N-O 3.29Å; R166-M183 HydrophobicContact CG-SD 4.28Å; R166-M183 PolarHBondContact NE-SD 3.17Å; R166-M183 PolarHBondContact NH2-SD 2.91Å; L169-M183 HydrophobicContact CD1-CE 3.22Å; L169-M183 HydrophobicContact CD1-SD 4.16Å; I174-M183 HydrophobicContact CG2-CE 4.45Å; C178-M183 HydrophobicContact CB-CE 4.45Å; C178-M183 HydrophobicContact CB-SD 4.48Å |
| 184 | Y | 94.8 | Very high | 79.9 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.5 | 176.8 | -65.5 | -93.5 | 0 | 0 | 0 | 110.1 | K119 C120 F121 I122 A159 P162 | K119-Y184 HydrophobicContact CD-CE2 4.42Å; C120-Y184 PolarHBondContact O-N 2.89Å; F121-Y184 CarbonylContact C-O 3.53Å; F121-Y184 WeakPolarHBondContact CA-O 3.39Å; F121-Y184 HydrophobicContact CE1-CD2 4.32Å; F121-Y184 HydrophobicContact CE1-CG 4.45Å; I122-Y184 PolarHBondContact N-O 2.92Å; A159-Y184 WeakPolarHBondContact O-CD1 3.43Å; P162-Y184 HydrophobicContact CB-CD1 4.29Å; P162-Y184 HydrophobicContact CB-CE1 3.86Å; P162-Y184 HydrophobicContact CG-CE1 4.46Å |
| 185 | W | 89.7 | Confident | 77.6 | Confident | 77 Ų | 77 | 70.4 Ų | 70.4 | 29% | 0.292 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 139.3 | 165 | -74.6 | 107.7 | 0 | 0 | 0 | 109.2 | Y109 I122 P158 A159 I163 F168 | Y109-W185 AromaticContact CD1-CH2 3.95Å; Y109-W185 HydrophobicContact CD1-CH2 3.95Å; Y109-W185 HydrophobicContact CD1-CZ3 4.24Å; Y109-W185 AromaticContact CE1-CH2 3.69Å; Y109-W185 HydrophobicContact CE1-CH2 3.69Å; Y109-W185 HydrophobicContact CE1-CZ3 4.29Å; I122-W185 HydrophobicContact CB-CE3 4.11Å; I122-W185 HydrophobicContact CB-CZ3 4.13Å; I122-W185 HydrophobicContact CG2-CE3 3.95Å; I122-W185 HydrophobicContact CG2-CH2 3.79Å; I122-W185 HydrophobicContact CG2-CZ3 3.45Å; I122-W185 VanDerWaalsContact CG2-CZ3 3.45Å; I122-W185 CarbonylContact O-C 3.54Å; I122-W185 WeakPolarHBondContact O-CA 3.21Å; P158-W185 CarbonylContact C-O 3.49Å; P158-W185 WeakPolarHBondContact CA-O 3.37Å; A159-W185 HydrophobicContact CB-CB 4.13Å; A159-W185 WeakPolarHBondContact CB-O 3.42Å; A159-W185 PolarHBondContact N-O 3.3Å; I163-W185 HydrophobicContact CD1-CD2 3.9Å; I163-W185 HydrophobicContact CD1-CG 3.88Å; I163-W185 HydrophobicContact CD1-CZ2 4.23Å; I163-W185 VanDerWaalsContact CG1-CD1 3.48Å; I163-W185 HydrophobicContact CG1-CG 4.13Å; F168-W185 HydrophobicContact CE1-CZ2 4.01Å; F168-W185 AromaticContact CE2-CH2 3.76Å; F168-W185 HydrophobicContact CE2-CH2 3.76Å; F168-W185 AromaticContact CE2-CZ2 3.8Å; F168-W185 HydrophobicContact CE2-CZ2 3.8Å; F168-W185 AromaticContact CZ-CH2 3.92Å; F168-W185 HydrophobicContact CZ-CH2 3.92Å; F168-W185 AromaticContact CZ-CZ2 3.49Å; F168-W185 HydrophobicContact CZ-CZ2 3.49Å; F168-W185 VanDerWaalsContact CZ-CZ2 3.49Å |
| 186 | I | 85.3 | Confident | 75.3 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.062 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.9 | 167.8 | 47.3 | 161.6 | 0 | 0 | 0 | 109 | I112 F121 I122 K123 W156 V157 P158 | I112-I186 HydrophobicContact CD1-CD1 4.05Å; F121-I186 HydrophobicContact CB-CD1 4.13Å; F121-I186 HydrophobicContact CB-CG1 4.14Å; F121-I186 HydrophobicContact CB-CG2 3.77Å; F121-I186 HydrophobicContact CD1-CG2 3.56Å; F121-I186 HydrophobicContact CE1-CG2 4.47Å; F121-I186 HydrophobicContact CG-CG2 3.94Å; I122-I186 WeakPolarHBondContact O-CG1 3.26Å; I122-I186 PolarHBondContact O-N 3.2Å; K123-I186 HydrophobicContact CB-CD1 4.03Å; K123-I186 HydrophobicContact CB-CG1 3.89Å; K123-I186 HydrophobicContact CD-CD1 4.1Å; K123-I186 HydrophobicContact CG-CD1 4.19Å; W156-I186 HydrophobicContact CB-CB 4.41Å; W156-I186 HydrophobicContact CB-CD1 4.25Å; W156-I186 HydrophobicContact CD2-CD1 4.31Å; W156-I186 HydrophobicContact CE3-CB 4.33Å; W156-I186 HydrophobicContact CE3-CD1 4.01Å; W156-I186 HydrophobicContact CE3-CG1 4.22Å; W156-I186 HydrophobicContact CG-CD1 4.43Å; V157-I186 WeakPolarHBondContact O-CA 3.4Å; P158-I186 HydrophobicContact CB-CG2 4.05Å |
| 187 | N | 80.5 | Confident | 72.9 | Confident | 89 Ų | 89 | 72.9 Ų | 72.9 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.4 | -178.7 | -64.1 | -50.4 | 0 | 0 | 0 | 110 | V157 T189 | V157-N187 PolarHBondContact N-O 2.7Å; V157-N187 PolarHBondContact O-N 3.43Å; N187-T189 PolarHBondContact O-N 2.83Å |
| 188 | P | 75.9 | Confident | 70.6 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 49% | 0.494 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.8 | 176.1 | 30 | -31.4 | 0 | 0 | 0 | 109.3 | V154 W156 | V154-P188 HydrophobicContact CG1-CB 3.44Å; V154-P188 VanDerWaalsContact CG1-CB 3.44Å; W156-P188 HydrophobicContact CE3-CB 4.23Å; W156-P188 HydrophobicContact CH2-CB 3.96Å; W156-P188 HydrophobicContact CH2-CG 4.2Å; W156-P188 HydrophobicContact CZ2-CB 4.29Å; W156-P188 HydrophobicContact CZ3-CB 3.94Å; W156-P188 HydrophobicContact CZ3-CG 4.07Å |
| 189 | T | 65.9 | Low | 68.2 | Low | 67 Ų | 67 | 85.2 Ų | 85.2 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.4 | 171.7 | -51.5 | 0 | 0 | 0 | 0 | 107.6 | I155 V157 N187 | I155-T189 PolarHBondContact N-O 3.22Å; I155-T189 PolarHBondContact O-N 3.08Å; V157-T189 WeakPolarHBondContact CG2-OG1 3.43Å; N187-T189 PolarHBondContact O-N 2.83Å |
| 190 | L | 60.8 | Low | 65.8 | Low | 134 Ų | 134 | 88.6 Ų | 88.6 | 70% | 0.702 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.2 | 175.9 | -62.2 | 174.6 | 0 | 0 | 0 | 108.1 | V154 S192 | V154-L190 HydrophobicContact CG2-CD2 4.02Å; L190-S192 PolarHBondContact O-N 2.84Å |
| 191 | I | 52.4 | Low | 63.4 | Low | 44 Ų | 44 | 89 Ų | 89 | 23% | 0.226 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 117.8 | 168 | -53.8 | 174.1 | 0 | 0 | 0 | 106.6 | S153 I155 E195 L196 | S153-I191 PolarHBondContact O-N 2.85Å; I155-I191 HydrophobicContact CD1-CD1 3.51Å; I155-I191 HydrophobicContact CD1-CG1 3.56Å; I155-I191 HydrophobicContact CG1-CD1 3.64Å; I155-I191 HydrophobicContact CG1-CG1 3.71Å; I191-E195 HydrophobicContact CG2-CB 4.29Å; I191-L196 HydrophobicContact CG2-CD1 4.4Å; I191-L196 HydrophobicContact CG2-CD2 4.3Å; I191-L196 HydrophobicContact CG2-CG 3.91Å |
| 192 | S | 49.8 | Very low | 61.2 | Low | 59 Ų | 59 | 96.3 Ų | 96.3 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 139 | 167.7 | 74.8 | 0 | 0 | 0 | 0 | 108 | L190 S194 E195 | L190-S192 PolarHBondContact O-N 2.84Å; S192-S194 PolarHBondContact O-N 3.49Å; S192-E195 PolarHBondContact O-N 3.36Å |
| 193 | V | 45.7 | Very low | 58.5 | Low | 116 Ų | 116 | 95.8 Ų | 95.8 | 70% | 0.703 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -19.9 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 194 | S | 47.6 | Very low | 55.9 | Low | 81 Ų | 81 | 104.5 Ų | 104.5 | 57% | 0.566 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -26.6 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 115 | S192 | S192-S194 PolarHBondContact O-N 3.49Š|
| 195 | E | 42.7 | Very low | 53.3 | Low | 107 Ų | 107 | 110.1 Ų | 110.1 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -11.8 | -178.5 | -71.4 | 167.5 | 150.6 | 0 | 0 | 113.2 | I191 S192 Q197 F199 | I191-E195 HydrophobicContact CG2-CB 4.29Å; S192-E195 PolarHBondContact O-N 3.36Å; E195-Q197 VanDerWaalsContact C-N 3.3Å; E195-F199 WeakPolarHBondContact O-CD2 3.43Å |
| 196 | L | 46.8 | Very low | 50.6 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -76.5 | -19.6 | 171.9 | -71.4 | 168.7 | 0 | 0 | 0 | 112.4 | I191 | I191-L196 HydrophobicContact CG2-CD1 4.4Å; I191-L196 HydrophobicContact CG2-CD2 4.3Å; I191-L196 HydrophobicContact CG2-CG 3.91Å |
| 197 | Q | 42.4 | Very low | 48 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -76.8 | -21 | 176.8 | -83.1 | 168.5 | -18.1 | 0 | 0 | 113.2 | E195 F199 | E195-Q197 VanDerWaalsContact C-N 3.3Å; Q197-F199 VanDerWaalsContact C-N 3.31Å; Q197-F199 PolarHBondContact O-N 2.92Å |
| 198 | D | 43.2 | Very low | 45.5 | Very low | 124 Ų | 124 | 126 Ų | 126 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -80.6 | -9.3 | 179.9 | -76.1 | -10.3 | 0 | 0 | 0 | 113.3 | ||
| 199 | F | 42.1 | Very low | 43.5 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -101.8 | -4.7 | 176.5 | -70.8 | -78.9 | 0 | 0 | 0 | 114 | E195 Q197 | E195-F199 WeakPolarHBondContact O-CD2 3.43Å; Q197-F199 VanDerWaalsContact C-N 3.31Å; Q197-F199 PolarHBondContact O-N 2.92Å |
| 200 | E | 42.1 | Very low | 41.7 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -103.2 | 14 | 177.9 | -76.1 | -176.4 | 152.9 | 0 | 0 | 112.9 | D202 | E200-D202 PolarHBondContact O-N 2.89Š| ||
| 201 | E | 41.5 | Very low | 40.2 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -82.1 | 27.4 | -178.3 | -140.8 | -179.3 | -160 | 0 | 0 | 114.4 | ||
| 202 | D | 47.2 | Very low | 39.1 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -144.3 | 64 | 166.4 | -86.9 | -35.1 | 0 | 0 | 0 | 109.9 | E200 | E200-D202 PolarHBondContact O-N 2.89Š|
| 203 | G | 37.5 | Very low | 38.4 | Very low | 57 Ų | 57 | 143.2 Ų | 143.2 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 165.3 | 78 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 204 | E | 38.9 | Very low | 37.6 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | 60.5 | 96.6 | 142.7 | -50 | -175.8 | -142.1 | 0 | 0 | 119 | ||||
| 205 | D | 41.4 | Very low | 36.6 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | 43.2 | 87.7 | 142.9 | -61.3 | -21.4 | 0 | 0 | 0 | 120.2 | ||||
| 206 | L | 32.9 | Very low | 35.9 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -133.7 | 98.2 | 153.4 | -84.7 | 169.3 | 0 | 0 | 0 | 111.8 | F208 | L206-F208 HydrophobicContact CB-CE2 4.17Å; L206-F208 PolarHBondContact O-N 3.16Å | ||
| 207 | H | 31.3 | Very low | 35.2 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 114.4 | 171.2 | -97.6 | -65.1 | 0 | 0 | 0 | 111.6 | ||||
| 208 | F | 28.1 | Very low | 34.5 | Very low | 169 Ų | 169 | 154 Ų | 154 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -112.9 | 129.1 | 158.4 | -69.8 | -84 | 0 | 0 | 0 | 109.5 | L206 A210 | L206-F208 HydrophobicContact CB-CE2 4.17Å; L206-F208 PolarHBondContact O-N 3.16Å; F208-A210 PolarHBondContact O-N 2.94Å | ||
| 209 | P | 32.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 115.5 | -174.2 | 28.4 | -32.1 | 0 | 0 | 0 | 111.3 | ||||
| 210 | A | 29 | Very low | 33.2 | Very low | 92 Ų | 92 | 154.1 Ų | 154.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -64.4 | 131.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F208 | F208-A210 PolarHBondContact O-N 2.94Š| ||
| 211 | N | 28.5 | Very low | 32.7 | Very low | 152 Ų | 152 | 154 Ų | 154 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -106.2 | 76.9 | 167 | -158.8 | -0.9 | 0 | 0 | 0 | 108.6 | K213 | N211-K213 PolarHBondContact O-N 2.96Š| ||
| 212 | E | 29.9 | Very low | 31.8 | Very low | 174 Ų | 174 | 158 Ų | 158 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | trans | -72.2 | 117.3 | 164.4 | -82.3 | -165.9 | 133.3 | 0 | 0 | 109.2 | ||||
| 213 | K | 35.2 | Very low | 31.3 | Very low | 195 Ų | 195 | 154.8 Ų | 154.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -84.3 | 108.8 | 159.3 | -78.4 | -178.8 | 177.2 | 177 | 0 | 108.7 | N211 | N211-K213 PolarHBondContact O-N 2.96Š| ||
| 214 | K | 29.2 | Very low | 30.8 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -139.7 | 124 | 151.7 | -99.3 | -177.5 | -178.6 | 169.7 | 0 | 111.5 | ||||
| 215 | G | 26.5 | Very low | 30.3 | Very low | 69 Ų | 69 | 155 Ų | 155 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 36.5 | 103.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 216 | I | 28.1 | Very low | 29.7 | Very low | 149 Ų | 149 | 156 Ų | 156 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | 51.5 | 127.8 | 117.4 | -60.2 | 177.1 | 0 | 0 | 0 | 119.2 | |||||
| 217 | E | 32.4 | Very low | 29.6 | Very low | 171 Ų | 171 | 155 Ų | 155 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | 83.9 | 98 | 155.5 | -81.2 | 162.7 | -148.7 | 0 | 0 | 119 | ||||
| 218 | Q | 26.4 | Very low | 29.9 | Very low | 182 Ų | 182 | 154 Ų | 154 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | -164.6 | 113 | 125.5 | -105.1 | 165.9 | 19.4 | 0 | 0 | 112.4 | |||||
| 219 | N | 30.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -31.1 | 118.2 | 138.6 | 41.8 | -45.8 | 0 | 0 | 0 | 113.7 | ||||
| 220 | E | 27.5 | Very low | 30.6 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | -179.5 | 117.2 | 125.5 | -96.6 | 170.9 | -162.7 | 0 | 0 | 112.9 | |||||
| 221 | Q | 31 | Very low | 31 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | -23.8 | 119.5 | 159.8 | -170.4 | 88.7 | 2.1 | 0 | 0 | 117.2 | V223 | Q221-V223 HydrophobicContact CG-CG2 4.36Š| ||
| 222 | W | 24.2 | Very low | 31.4 | Very low | 252 Ų | 252 | 154 Ų | 154 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | trans | -139.9 | 127.8 | 142.7 | -87.3 | 93.5 | 0 | 0 | 0 | 111.1 | ||||
| 223 | V | 35.7 | Very low | 31.8 | Very low | 107 Ų | 107 | 157.4 Ų | 157.4 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | trans | -88.4 | 129.4 | -169.3 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | Q221 | Q221-V223 HydrophobicContact CG-CG2 4.36Š| ||
| 224 | V | 26.9 | Very low | 31.9 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -137.1 | 142.3 | 166.9 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 225 | P | 28.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -70.6 | 147.3 | -148.2 | -20.6 | 33.2 | 0 | 0 | 0 | 116.8 | V227 | P225-V227 PolarHBondContact O-N 2.98Š| ||
| 226 | Q | 29.4 | Very low | 33.4 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 113.2 | 172.1 | -65.4 | -160 | -16.3 | 0 | 0 | 112 | ||||
| 227 | V | 29.8 | Very low | 34.2 | Very low | 129 Ų | 129 | 161 Ų | 161 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -97 | 104.7 | 151.5 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | P225 V229 | P225-V227 PolarHBondContact O-N 2.98Å; V227-V229 HydrophobicContact CG1-CG2 4.28Å; V227-V229 PolarHBondContact O-N 3.49Å; V227-V229 VanDerWaalsContact O-N 3.09Å | ||
| 228 | K | 38.4 | Very low | 34.8 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -60.4 | 108.2 | 169.8 | -96.9 | -179.4 | 172.1 | -175.2 | 0 | 109 | ||||
| 229 | V | 34.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 150.4 Ų | 150.4 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | trans | -111.5 | 90.1 | 156.4 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | V227 K231 | V227-V229 HydrophobicContact CG1-CG2 4.28Å; V227-V229 PolarHBondContact O-N 3.49Å; V227-V229 VanDerWaalsContact O-N 3.09Å; V229-K231 HydrophobicContact CG1-CD 4.45Å; V229-K231 HydrophobicContact CG1-CG 4.19Å; V229-K231 PolarHBondContact O-N 2.86Å; V229-K231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | E | 40 | Very low | 37.2 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -71.1 | 97.1 | 170.2 | -162.3 | 153 | -166 | 0 | 0 | 107.8 | ||||
| 231 | K | 37.1 | Very low | 38.4 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | trans | -128.6 | 77.8 | 162.7 | -75.4 | -171.7 | -178.8 | 179.6 | 0 | 108.6 | V229 R233 | V229-K231 HydrophobicContact CG1-CD 4.45Å; V229-K231 HydrophobicContact CG1-CG 4.19Å; V229-K231 PolarHBondContact O-N 2.86Å; V229-K231 VanDerWaalsContact O-N 3.09Å; K231-R233 PolarHBondContact O-N 3.43Å | ||
| 232 | T | 36.7 | Very low | 39.4 | Very low | 95 Ų | 95 | 148 Ų | 148 | 58% | 0.583 | 74% | 0.736 | S | S | * | * | trans | -48.9 | 108.3 | 159 | -19.1 | 0 | 0 | 0 | 0 | 107.5 | H234 | T232-H234 VanDerWaalsContact C-N 3.31Å; T232-H234 PolarHBondContact O-N 3.36Å | ||
| 233 | R | 38.9 | Very low | 41 | Very low | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | trans | -69.3 | 97.1 | 167.2 | -69.2 | -176.2 | -168.2 | 162.8 | 3.4 | 106.3 | K231 A235 | K231-R233 PolarHBondContact O-N 3.43Å; R233-A235 PolarHBondContact O-N 2.88Å; R233-A235 VanDerWaalsContact O-N 3.08Å | ||
| 234 | H | 37.8 | Very low | 42.1 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -64.7 | 108 | 168 | -67.7 | -52.5 | 0 | 0 | 0 | 108 | T232 R236 | T232-H234 VanDerWaalsContact C-N 3.31Å; T232-H234 PolarHBondContact O-N 3.36Å; H234-R236 PolarHBondContact O-N 3.32Å | ||
| 235 | A | 40.2 | Very low | 43.8 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | -60.6 | 115 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | R233 Q237 | R233-A235 PolarHBondContact O-N 2.88Å; R233-A235 VanDerWaalsContact O-N 3.08Å; A235-Q237 PolarHBondContact O-N 2.93Å | ||
| 236 | R | 46.9 | Very low | 45.5 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -61.3 | 106.2 | 173.3 | -98.7 | -178.3 | 168.1 | 118.3 | -4.2 | 107.9 | H234 A238 | H234-R236 PolarHBondContact O-N 3.32Å; R236-A238 VanDerWaalsContact C-N 3.35Å; R236-A238 PolarHBondContact O-N 2.88Å | ||
| 237 | Q | 45 | Very low | 47.3 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 94% | 0.939 | 68% | 0.675 | S | S | * | * | trans | -84.8 | 83.4 | 160.3 | -77.4 | 177.1 | -26.4 | 0 | 0 | 107.5 | A235 | A235-Q237 PolarHBondContact O-N 2.93Š| ||
| 238 | A | 44.2 | Very low | 49.3 | Very low | 47 Ų | 47 | 128 Ų | 128 | 39% | 0.388 | 64% | 0.639 | S | S | . | * | trans | -109.3 | 137.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | R236 E240 | R236-A238 VanDerWaalsContact C-N 3.35Å; R236-A238 PolarHBondContact O-N 2.88Å; A238-E240 VanDerWaalsContact C-N 3.27Å; A238-E240 VanDerWaalsContact O-CG 3.32Å; A238-E240 WeakPolarHBondContact O-CG 3.27Å; A238-E240 PolarHBondContact O-N 3.21Å | ||
| 239 | S | 54.4 | Low | 50.9 | Low | 83 Ų | 83 | 123.1 Ų | 123.1 | 58% | 0.58 | 62% | 0.624 | S | S | * | * | trans | -61.6 | 99.7 | 161.1 | 42.5 | 0 | 0 | 0 | 0 | 106.6 | E241 E242 | S239-E241 PolarHBondContact O-N 2.98Å; S239-E242 PolarHBondContact O-N 2.86Å | ||
| 240 | E | 53.9 | Low | 52.5 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 39% | 0.388 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | 5.7 | -166.2 | -53.7 | -174.9 | -164.5 | 0 | 0 | 114.9 | A238 E242 R271 | A238-E240 VanDerWaalsContact C-N 3.27Å; A238-E240 VanDerWaalsContact O-CG 3.32Å; A238-E240 WeakPolarHBondContact O-CG 3.27Å; A238-E240 PolarHBondContact O-N 3.21Å; E240-E242 VanDerWaalsContact C-N 3.26Å; E240-R271 IonicContact OE1-CZ 3.05Å; E240-R271 IonicContact OE1-NE 2.6Å; E240-R271 IonicContact OE1-NH2 2.71Å; E240-R271 PolarHBondContact OE1-NH2 3.29Å; E240-R271 IonicContact OE2-CZ 2.9Å; E240-R271 IonicContact OE2-NE 2.7Å; E240-R271 PolarHBondContact OE2-NE 2.87Å; E240-R271 IonicContact OE2-NH2 3.14Å; E240-R271 PolarHBondContact OE2-NH2 1.99Å |
| 241 | E | 53.7 | Low | 53.9 | Low | 167 Ų | 167 | 124.6 Ų | 124.6 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -20.5 | 169.7 | -79.5 | 169.2 | 165.8 | 0 | 0 | 112.9 | S239 R270 | S239-E241 PolarHBondContact O-N 2.98Å; E241-R270 PolarHBondContact O-NH1 3.42Å; E241-R270 VanDerWaalsContact O-NH1 3.17Å |
| 242 | E | 51.3 | Low | 55.5 | Low | 166 Ų | 166 | 119.1 Ų | 119.1 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -95.8 | -8.2 | -175.6 | -100.2 | 176.2 | 168 | 0 | 0 | 115.5 | S239 E240 | S239-E242 PolarHBondContact O-N 2.86Å; E240-E242 VanDerWaalsContact C-N 3.26Å |
| 243 | L | 58.3 | Low | 57.4 | Low | 105 Ų | 105 | 117.4 Ų | 117.4 | 55% | 0.55 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -78.5 | 131 | 178.6 | -71.2 | 170.8 | 0 | 0 | 0 | 110.2 | I245 | L243-I245 PolarHBondContact O-N 2.93Å; L243-I245 VanDerWaalsContact O-N 3.13Å |
| 244 | P | 58.6 | Low | 59.4 | Low | 116 Ų | 116 | 113.9 Ų | 113.9 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.3 | 177.3 | 24.3 | -31.4 | 0 | 0 | 0 | 109 | N246 | P244-N246 PolarHBondContact O-N 3.47Š|
| 245 | I | 61.3 | Low | 61.5 | Low | 86 Ų | 86 | 108.3 Ų | 108.3 | 44% | 0.441 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -72 | 124.5 | 168 | -61.9 | 166.1 | 0 | 0 | 0 | 105.4 | L243 D247 R270 | L243-I245 PolarHBondContact O-N 2.93Å; L243-I245 VanDerWaalsContact O-N 3.13Å; I245-D247 VanDerWaalsContact C-N 3.33Å; I245-D247 PolarHBondContact O-N 3.15Å; I245-R270 HydrophobicContact CD1-CG 3.76Å; I245-R270 HydrophobicContact CG1-CG 4.46Å |
| 246 | N | 64.9 | Low | 63.5 | Low | 91 Ų | 91 | 108.6 Ų | 108.6 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | trans | -63.9 | 100.5 | 170 | -77.6 | -6.5 | 0 | 0 | 0 | 107.9 | P244 Y248 N307 | P244-N246 PolarHBondContact O-N 3.47Å; N246-Y248 HydrophobicContact CB-CE1 4.43Å; N246-Y248 HydrophobicContact CB-CE2 3.81Å; N246-Y248 PolarHBondContact ND2-OH 2.78Å; N246-Y248 VanDerWaalsContact ND2-OH 3.15Å; N246-N307 WeakPolarHBondContact O-CB 3.37Å; N246-N307 PolarHBondContact O-ND2 3.45Å | ||
| 247 | D | 67.6 | Low | 65.1 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | trans | -88.8 | 116.7 | 172.5 | -165.3 | -16.1 | 0 | 0 | 0 | 108.1 | I245 T249 | I245-D247 VanDerWaalsContact C-N 3.33Å; I245-D247 PolarHBondContact O-N 3.15Å; D247-T249 VanDerWaalsContact OD1-CB 3.31Å; D247-T249 WeakPolarHBondContact OD1-CB 3Å; D247-T249 WeakPolarHBondContact OD1-CG2 3.49Å; D247-T249 PolarHBondContact OD1-N 3.04Å; D247-T249 PolarHBondContact OD1-OG1 3.41Å; D247-T249 PolarHBondContact OD2-OG1 3.34Å | ||
| 248 | Y | 72.1 | Confident | 66.6 | Low | 7 Ų | 7 | 95.2 Ų | 95.2 | 3% | 0.027 | 52% | 0.52 | C | S | . | . | trans | -95.4 | 7 | -178.7 | -63.8 | -72.8 | 0 | 0 | 0 | 112.5 | N246 E250 N251 I253 N307 V310 L314 | N246-Y248 HydrophobicContact CB-CE1 4.43Å; N246-Y248 HydrophobicContact CB-CE2 3.81Å; N246-Y248 PolarHBondContact ND2-OH 2.78Å; N246-Y248 VanDerWaalsContact ND2-OH 3.15Å; Y248-E250 VanDerWaalsContact C-N 3.25Å; Y248-E250 PolarHBondContact O-N 2.96Å; Y248-N251 WeakPolarHBondContact O-CA 3.47Å; Y248-N251 WeakPolarHBondContact O-CB 3.44Å; Y248-N251 PolarHBondContact O-N 3.07Å; Y248-I253 PolarHBondContact O-N 2.97Å; Y248-N307 HydrophobicContact CD2-CB 4.05Å; Y248-N307 HydrophobicContact CE2-CB 3.97Å; Y248-N307 WeakPolarHBondContact CE2-O 3.49Å; Y248-V310 HydrophobicContact CD1-CG1 4.15Å; Y248-V310 HydrophobicContact CD2-CB 3.93Å; Y248-V310 HydrophobicContact CD2-CG1 3.67Å; Y248-V310 HydrophobicContact CE1-CG1 4.25Å; Y248-V310 HydrophobicContact CE2-CB 3.92Å; Y248-V310 HydrophobicContact CE2-CG1 3.76Å; Y248-V310 HydrophobicContact CG-CG1 3.87Å; Y248-L314 HydrophobicContact CE1-CD1 4.23Å | ||
| 249 | T | 71.1 | Confident | 68.4 | Low | 71 Ų | 71 | 95.8 Ų | 95.8 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -60 | -35.9 | 175.1 | 50 | 0 | 0 | 0 | 0 | 112.1 | D247 N251 G252 | D247-T249 VanDerWaalsContact OD1-CB 3.31Å; D247-T249 WeakPolarHBondContact OD1-CB 3Å; D247-T249 WeakPolarHBondContact OD1-CG2 3.49Å; D247-T249 PolarHBondContact OD1-N 3.04Å; D247-T249 PolarHBondContact OD1-OG1 3.41Å; D247-T249 PolarHBondContact OD2-OG1 3.34Å; T249-N251 PolarHBondContact O-N 3.26Å; T249-G252 PolarHBondContact O-N 2.98Å |
| 250 | E | 67.9 | Low | 69.5 | Low | 185 Ų | 185 | 93.8 Ų | 93.8 | 86% | 0.864 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -62.7 | -23.2 | 173.8 | -63.2 | -173.8 | 175.7 | 0 | 0 | 113 | Y248 G252 | Y248-E250 VanDerWaalsContact C-N 3.25Å; Y248-E250 PolarHBondContact O-N 2.96Å; E250-G252 VanDerWaalsContact C-N 3.29Å |
| 251 | N | 69.3 | Low | 70.6 | Confident | 115 Ų | 115 | 96 Ų | 96 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -88.8 | 7.9 | 174.3 | -61.7 | 97.5 | 0 | 0 | 0 | 112.9 | Y248 T249 I253 | Y248-N251 WeakPolarHBondContact O-CA 3.47Å; Y248-N251 WeakPolarHBondContact O-CB 3.44Å; Y248-N251 PolarHBondContact O-N 3.07Å; T249-N251 PolarHBondContact O-N 3.26Å; N251-I253 VanDerWaalsContact C-N 3.28Å; N251-I253 HydrophobicContact CB-CG1 4.4Å; N251-I253 PolarHBondContact O-N 3.34Å |
| 252 | G | 72.4 | Confident | 71.8 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 16.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | T249 E250 E254 | T249-G252 PolarHBondContact O-N 2.98Å; E250-G252 VanDerWaalsContact C-N 3.29Å; G252-E254 PolarHBondContact O-N 3.47Å |
| 253 | I | 76.5 | Confident | 73.2 | Confident | 58 Ų | 58 | 86 Ų | 86 | 30% | 0.297 | 46% | 0.458 | S | S | . | . | trans | -92.8 | 96.8 | 177.1 | -55.4 | -179.2 | 0 | 0 | 0 | 108.1 | Y248 N251 F255 V310 | Y248-I253 PolarHBondContact O-N 2.97Å; N251-I253 VanDerWaalsContact C-N 3.28Å; N251-I253 HydrophobicContact CB-CG1 4.4Å; N251-I253 PolarHBondContact O-N 3.34Å; I253-F255 HydrophobicContact CG2-CE1 4.02Å; I253-F255 HydrophobicContact CG2-CE2 4.43Å; I253-F255 HydrophobicContact CG2-CZ 3.91Å; I253-V310 HydrophobicContact CD1-CG1 3.99Å; I253-V310 HydrophobicContact CG2-CG2 4.43Å | ||
| 254 | E | 80.8 | Confident | 74.4 | Confident | 172 Ų | 172 | 87.6 Ų | 87.6 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 135.8 | 170.5 | -67.8 | -176.6 | 176.9 | 0 | 0 | 109.8 | G252 | G252-E254 PolarHBondContact O-N 3.47Š|
| 255 | F | 80.3 | Confident | 75.6 | Confident | 45 Ų | 45 | 82.5 Ų | 82.5 | 20% | 0.197 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 130.2 | 178.2 | -60 | -74.2 | 0 | 0 | 0 | 110.4 | I253 P257 L259 I267 C306 N307 V310 | I253-F255 HydrophobicContact CG2-CE1 4.02Å; I253-F255 HydrophobicContact CG2-CE2 4.43Å; I253-F255 HydrophobicContact CG2-CZ 3.91Å; F255-P257 WeakPolarHBondContact O-CD 3.31Å; F255-L259 HydrophobicContact CB-CD1 4.28Å; F255-L259 HydrophobicContact CD1-CD1 4.16Å; F255-I267 HydrophobicContact CB-CD1 3.76Å; F255-I267 HydrophobicContact CB-CG1 3.84Å; F255-C306 HydrophobicContact CD1-CB 3.72Å; F255-C306 HydrophobicContact CD2-CB 4.09Å; F255-C306 HydrophobicContact CE1-CB 3.66Å; F255-C306 HydrophobicContact CE2-CB 4.05Å; F255-C306 HydrophobicContact CG-CB 3.93Å; F255-C306 HydrophobicContact CZ-CB 3.81Å; F255-N307 WeakPolarHBondContact CE2-OD1 3.37Å; F255-N307 WeakPolarHBondContact CZ-OD1 3.31Å; F255-V310 HydrophobicContact CE1-CG2 3.71Å; F255-V310 HydrophobicContact CZ-CG2 3.6Å |
| 256 | D | 83.1 | Confident | 76.7 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 126 | 170.6 | -172.8 | -24.1 | 0 | 0 | 0 | 109.8 | M258 L259 | D256-M258 PolarHBondContact O-N 2.6Å; D256-M258 WeakPolarHBondContact OD1-CB 3.41Å; D256-M258 WeakPolarHBondContact OD1-CG 3.43Å; D256-M258 PolarHBondContact OD1-N 2.98Å; D256-L259 HydrophobicContact CB-CG 4.49Å; D256-L259 WeakPolarHBondContact O-CB 3.36Å; D256-L259 WeakPolarHBondContact O-CG 2.98Å; D256-L259 PolarHBondContact O-N 3.17Å |
| 257 | P | 79.9 | Confident | 77.6 | Confident | 82 Ų | 82 | 76.1 Ų | 76.1 | 53% | 0.532 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -28 | 172.6 | -28.2 | 35.6 | 0 | 0 | 0 | 114.6 | F255 L259 D260 E261 | F255-P257 WeakPolarHBondContact O-CD 3.31Å; P257-L259 PolarHBondContact O-N 2.71Å; P257-L259 VanDerWaalsContact O-N 3.14Å; P257-D260 PolarHBondContact O-N 3.13Å; P257-D260 VanDerWaalsContact O-N 3.13Å; P257-E261 PolarHBondContact O-N 2.62Å |
| 258 | M | 77.8 | Confident | 78.3 | Confident | 69 Ų | 69 | 81 Ų | 81 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.8 | -23.8 | 175.5 | -70.7 | -128.2 | 85.2 | 0 | 0 | 113.6 | D256 D260 E261 R262 | D256-M258 PolarHBondContact O-N 2.6Å; D256-M258 WeakPolarHBondContact OD1-CB 3.41Å; D256-M258 WeakPolarHBondContact OD1-CG 3.43Å; D256-M258 PolarHBondContact OD1-N 2.98Å; M258-D260 VanDerWaalsContact C-N 3.3Å; M258-D260 PolarHBondContact O-N 2.87Å; M258-E261 WeakPolarHBondContact CE-OE2 3.45Å; M258-E261 PolarHBondContact O-N 2.8Å; M258-R262 WeakPolarHBondContact O-CB 3.4Å; M258-R262 WeakPolarHBondContact O-CG 3.09Å; M258-R262 PolarHBondContact O-N 2.8Å; M258-R262 PolarHBondContact SD-NH2 2.91Å |
| 259 | L | 81 | Confident | 78.7 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 30% | 0.304 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 177.8 | -66.1 | 174.1 | 0 | 0 | 0 | 112.3 | F255 D256 P257 G263 Y264 C265 | F255-L259 HydrophobicContact CB-CD1 4.28Å; F255-L259 HydrophobicContact CD1-CD1 4.16Å; D256-L259 HydrophobicContact CB-CG 4.49Å; D256-L259 WeakPolarHBondContact O-CB 3.36Å; D256-L259 WeakPolarHBondContact O-CG 2.98Å; D256-L259 PolarHBondContact O-N 3.17Å; P257-L259 PolarHBondContact O-N 2.71Å; P257-L259 VanDerWaalsContact O-N 3.14Å; L259-G263 PolarHBondContact O-N 3.18Å; L259-Y264 HydrophobicContact CD2-CD2 4.21Å; L259-Y264 PolarHBondContact O-N 2.94Å; L259-C265 CarbonylContact C-O 3.59Å |
| 260 | D | 78.4 | Confident | 78.9 | Confident | 41 Ų | 41 | 85.3 Ų | 85.3 | 22% | 0.219 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -76.2 | -42.8 | 176.3 | -153.6 | -1 | 0 | 0 | 0 | 110.3 | P257 M258 R262 G263 C265 Y275 | P257-D260 PolarHBondContact O-N 3.13Å; P257-D260 VanDerWaalsContact O-N 3.13Å; M258-D260 VanDerWaalsContact C-N 3.3Å; M258-D260 PolarHBondContact O-N 2.87Å; D260-R262 VanDerWaalsContact C-N 3.34Å; D260-R262 PolarHBondContact O-N 2.97Å; D260-G263 WeakPolarHBondContact O-CA 3.22Å; D260-G263 PolarHBondContact O-N 3.37Å; D260-C265 VanDerWaalsContact CA-O 3.3Å; D260-C265 WeakPolarHBondContact CA-O 3.33Å; D260-Y275 WeakPolarHBondContact O-CE2 3.3Å |
| 261 | E | 77.2 | Confident | 79.4 | Confident | 129 Ų | 129 | 83.4 Ų | 83.4 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.6 | -39.5 | 177.3 | -67.4 | -170.3 | 168.1 | 0 | 0 | 113 | P257 M258 G263 Y275 | P257-E261 PolarHBondContact O-N 2.62Å; M258-E261 WeakPolarHBondContact CE-OE2 3.45Å; M258-E261 PolarHBondContact O-N 2.8Å; E261-G263 VanDerWaalsContact C-N 3.26Å; E261-Y275 PolarHBondContact O-OH 3.43Å |
| 262 | R | 78.1 | Confident | 80 | Confident | 124 Ų | 124 | 79.5 Ų | 79.5 | 47% | 0.468 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.2 | 175.5 | -64.4 | 176.9 | -172.7 | 178.7 | 2.9 | 112.2 | M258 D260 Y264 R301 | M258-R262 WeakPolarHBondContact O-CB 3.4Å; M258-R262 WeakPolarHBondContact O-CG 3.09Å; M258-R262 PolarHBondContact O-N 2.8Å; M258-R262 PolarHBondContact SD-NH2 2.91Å; D260-R262 VanDerWaalsContact C-N 3.34Å; D260-R262 PolarHBondContact O-N 2.97Å; R262-Y264 HydrophobicContact CB-CD2 3.56Å; R262-Y264 HydrophobicContact CB-CE2 3.44Å; R262-Y264 VanDerWaalsContact CB-CE2 3.44Å; R262-Y264 HydrophobicContact CG-CE2 4.19Å; R262-R301 PolarHBondContact O-NH2 3.14Å |
| 263 | G | 80.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 32.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L259 D260 E261 R301 I303 | L259-G263 PolarHBondContact O-N 3.18Å; D260-G263 WeakPolarHBondContact O-CA 3.22Å; D260-G263 PolarHBondContact O-N 3.37Å; E261-G263 VanDerWaalsContact C-N 3.26Å; G263-R301 PolarHBondContact O-NE 3.48Å; G263-R301 PolarHBondContact O-NH2 3.13Å; G263-I303 WeakPolarHBondContact O-CG2 3.36Å |
| 264 | Y | 83 | Confident | 80.6 | Confident | 137 Ų | 137 | 86.9 Ų | 86.9 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -77.1 | -43.6 | 173.5 | -69.7 | -70.5 | 0 | 0 | 0 | 111.1 | L259 R262 | L259-Y264 HydrophobicContact CD2-CD2 4.21Å; L259-Y264 PolarHBondContact O-N 2.94Å; R262-Y264 HydrophobicContact CB-CD2 3.56Å; R262-Y264 HydrophobicContact CB-CE2 3.44Å; R262-Y264 VanDerWaalsContact CB-CE2 3.44Å; R262-Y264 HydrophobicContact CG-CE2 4.19Å |
| 265 | C | 84.3 | Confident | 80.7 | Confident | 10 Ų | 10 | 81 Ų | 81 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | trans | -155.1 | 160 | 174.5 | 65.3 | 0 | 0 | 0 | 0 | 109.1 | L259 D260 M304 C306 | L259-C265 CarbonylContact C-O 3.59Å; D260-C265 VanDerWaalsContact CA-O 3.3Å; D260-C265 WeakPolarHBondContact CA-O 3.33Å; C265-M304 VanDerWaalsContact CA-O 3.32Å; C265-M304 WeakPolarHBondContact CA-O 3.46Å; C265-M304 WeakPolarHBondContact CB-O 3.44Å; C265-C306 HydrophobicContact CB-CB 3.89Å; C265-C306 WeakPolarHBondContact CB-SG 3.37Å; C265-C306 WeakPolarHBondContact SG-CA 3.38Å; C265-C306 WeakPolarHBondContact SG-CB 3.32Å; C265-C306 CovalentContact SG-SG 2.04Å; C265-C306 PolarHBondContact SG-SG 2.96Å | ||
| 266 | C | 84.5 | Confident | 80.8 | Confident | 6 Ų | 6 | 81.4 Ų | 81.4 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -105.3 | 127.1 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 111 | C269 I303 M304 P305 C306 | C266-C269 HydrophobicContact CB-CB 3.43Å; C266-C269 VanDerWaalsContact CB-CB 3.43Å; C266-C269 WeakPolarHBondContact CB-SG 3.22Å; C266-C269 WeakPolarHBondContact SG-CB 2.9Å; C266-C269 PolarHBondContact SG-N 2.84Å; C266-C269 CovalentContact SG-SG 1.99Å; C266-C269 PolarHBondContact SG-SG 3.21Å; C266-I303 HydrophobicContact CB-CD1 3.69Å; C266-I303 HydrophobicContact CB-CG1 4.29Å; C266-M304 PolarHBondContact N-O 3.48Å; C266-M304 VanDerWaalsContact N-O 3.07Å; C266-P305 CarbonylContact O-C 3.53Å; C266-P305 VanDerWaalsContact O-CA 3.27Å; C266-P305 WeakPolarHBondContact O-CA 3.48Å; C266-C306 VanDerWaalsContact C-SG 3.51Å; C266-C306 PolarHBondContact O-N 3.03Å |
| 267 | I | 84 | Confident | 80.4 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 19% | 0.185 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -73.8 | -43.7 | -175.1 | -61.5 | 171.2 | 0 | 0 | 0 | 110.3 | F255 C306 | F255-I267 HydrophobicContact CB-CD1 3.76Å; F255-I267 HydrophobicContact CB-CG1 3.84Å; I267-C306 VanDerWaalsContact CG1-SG 3.6Å |
| 268 | Y | 80.8 | Confident | 80.1 | Confident | 196 Ų | 196 | 88.3 Ų | 88.3 | 77% | 0.769 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -95.1 | 1.6 | -174.3 | -56 | -72.6 | 0 | 0 | 0 | 113.8 | ||
| 269 | C | 81.2 | Confident | 79.7 | Confident | 22 Ų | 22 | 87.9 Ų | 87.9 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | trans | -87 | 136.2 | -178.4 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | C266 N273 P305 | C266-C269 HydrophobicContact CB-CB 3.43Å; C266-C269 VanDerWaalsContact CB-CB 3.43Å; C266-C269 WeakPolarHBondContact CB-SG 3.22Å; C266-C269 WeakPolarHBondContact SG-CB 2.9Å; C266-C269 PolarHBondContact SG-N 2.84Å; C266-C269 CovalentContact SG-SG 1.99Å; C266-C269 PolarHBondContact SG-SG 3.21Å; C269-N273 PolarHBondContact SG-ND2 3.47Å; C269-P305 VanDerWaalsContact O-CB 3.24Å; C269-P305 WeakPolarHBondContact O-CB 3.37Å; C269-P305 WeakPolarHBondContact O-CG 3.05Å | ||
| 270 | R | 75.3 | Confident | 79 | Confident | 146 Ų | 146 | 86.3 Ų | 86.3 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -89.8 | -18.8 | 172.5 | -59.8 | -173 | -177.9 | -154.7 | -4 | 113.1 | E241 I245 | E241-R270 PolarHBondContact O-NH1 3.42Å; E241-R270 VanDerWaalsContact O-NH1 3.17Å; I245-R270 HydrophobicContact CD1-CG 3.76Å; I245-R270 HydrophobicContact CG1-CG 4.46Å |
| 271 | R | 78.5 | Confident | 77.9 | Confident | 144 Ų | 144 | 89 Ų | 89 | 54% | 0.543 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -131.6 | 167.2 | -178.2 | -63.8 | -177.4 | -173 | 122.5 | 12.4 | 110.9 | E240 N273 | E240-R271 IonicContact OE1-CZ 3.05Å; E240-R271 IonicContact OE1-NE 2.6Å; E240-R271 IonicContact OE1-NH2 2.71Å; E240-R271 PolarHBondContact OE1-NH2 3.29Å; E240-R271 IonicContact OE2-CZ 2.9Å; E240-R271 IonicContact OE2-NE 2.7Å; E240-R271 PolarHBondContact OE2-NE 2.87Å; E240-R271 IonicContact OE2-NH2 3.14Å; E240-R271 PolarHBondContact OE2-NH2 1.99Å; R271-N273 PolarHBondContact O-N 3.17Å; R271-N273 VanDerWaalsContact O-N 3.13Å |
| 272 | G | 81.5 | Confident | 76.6 | Confident | 33 Ų | 33 | 86.8 Ų | 86.8 | 34% | 0.34 | 39% | 0.387 | S | S | . | . | trans | -54.4 | 116.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I303 | G272-I303 CarbonylContact C-O 3.53Å; G272-I303 WeakPolarHBondContact CA-O 3.24Å | ||
| 273 | N | 79.3 | Confident | 75 | Confident | 82 Ų | 82 | 85.2 Ų | 85.2 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146.7 | -179.5 | -99.4 | -20.7 | 0 | 0 | 0 | 110.8 | C269 R271 Y275 V302 I303 | C269-N273 PolarHBondContact SG-ND2 3.47Å; R271-N273 PolarHBondContact O-N 3.17Å; R271-N273 VanDerWaalsContact O-N 3.13Å; N273-Y275 PolarHBondContact O-N 3.13Å; N273-V302 WeakPolarHBondContact O-CA 3.27Å; N273-I303 PolarHBondContact N-O 2.96Å; N273-I303 WeakPolarHBondContact O-CG1 2.98Å; N273-I303 PolarHBondContact O-N 3.07Å |
| 274 | R | 82.9 | Confident | 73.3 | Confident | 197 Ų | 197 | 91.5 Ų | 91.5 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 106.2 | 177.5 | -171.8 | 179.4 | 67.4 | 177 | 0.3 | 108.8 | C300 | R274-C300 HydrophobicContact CG-CB 3.92Å |
| 275 | Y | 82.4 | Confident | 71.3 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 18% | 0.184 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119 | 173.2 | 177.6 | -88.7 | 0 | 0 | 0 | 109.1 | D260 E261 N273 R277 C300 R301 I303 | D260-Y275 WeakPolarHBondContact O-CE2 3.3Å; E261-Y275 PolarHBondContact O-OH 3.43Å; N273-Y275 PolarHBondContact O-N 3.13Å; Y275-R277 HydrophobicContact CE1-CB 3.77Å; Y275-C300 CarbonylContact O-C 3.57Å; Y275-C300 VanDerWaalsContact O-CA 3.31Å; Y275-C300 WeakPolarHBondContact O-CA 3.08Å; Y275-R301 HydrophobicContact CD1-CG 4.34Å; Y275-R301 PolarHBondContact N-O 2.95Å; Y275-R301 PolarHBondContact O-N 3.37Å; Y275-I303 HydrophobicContact CD2-CD1 4.11Å; Y275-I303 HydrophobicContact CG-CD1 4.18Å; Y275-I303 HydrophobicContact CG-CG2 4.3Å |
| 276 | C | 82.2 | Confident | 69 | Low | 54 Ų | 54 | 91.3 Ų | 91.3 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.9 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | V298 I299 C300 | C276-V298 HydrophobicContact CB-CG1 3.77Å; C276-I299 WeakPolarHBondContact CA-O 3.32Å; C276-C300 HydrophobicContact CB-CB 4.12Å; C276-C300 WeakPolarHBondContact CB-SG 3.34Å; C276-C300 WeakPolarHBondContact SG-CB 3.49Å; C276-C300 CovalentContact SG-SG 2.04Å; C276-C300 PolarHBondContact SG-SG 3.27Å |
| 277 | R | 75.9 | Confident | 66.6 | Low | 141 Ų | 141 | 100.4 Ų | 100.4 | 53% | 0.532 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.5 | 173.1 | -174.2 | 170.7 | 179.8 | -175.3 | 0.6 | 109.3 | Y275 V279 I299 | Y275-R277 HydrophobicContact CE1-CB 3.77Å; R277-V279 PolarHBondContact O-N 3.14Å; R277-I299 PolarHBondContact N-O 3.02Å; R277-I299 PolarHBondContact O-N 2.86Å |
| 278 | R | 72.9 | Confident | 64.7 | Low | 182 Ų | 182 | 101.2 Ų | 101.2 | 69% | 0.687 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 112.1 | 164.7 | -75.5 | -178.9 | -175.7 | 149.4 | 1.8 | 107.4 | R297 V298 | R278-R297 WeakPolarHBondContact CA-O 3.07Å; R278-V298 HydrophobicContact CG-CG2 3.83Å |
| 279 | V | 68.6 | Low | 62.9 | Low | 59 Ų | 59 | 100.5 Ų | 100.5 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.4 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 105.7 | R277 E281 R297 I299 | R277-V279 PolarHBondContact O-N 3.14Å; V279-E281 PolarHBondContact O-N 2.96Å; V279-R297 PolarHBondContact N-O 3.13Å; V279-R297 PolarHBondContact O-N 3.17Å; V279-I299 HydrophobicContact CB-CD1 4.02Å; V279-I299 HydrophobicContact CB-CG1 4.4Å; V279-I299 HydrophobicContact CG1-CD1 4.48Å; V279-I299 HydrophobicContact CG2-CB 4.3Å; V279-I299 HydrophobicContact CG2-CD1 3.95Å; V279-I299 HydrophobicContact CG2-CG1 4.22Å |
| 280 | C | 67.3 | Low | 61 | Low | 25 Ų | 25 | 103.1 Ų | 103.1 | 17% | 0.169 | 49% | 0.493 | C | S | . | . | trans | -76.8 | 113.4 | 171.1 | -63.9 | 0 | 0 | 0 | 0 | 106.4 | P290 C292 | C280-P290 HydrophobicContact CB-CB 3.99Å; C280-C292 HydrophobicContact CB-CB 4Å; C280-C292 WeakPolarHBondContact CB-SG 3.24Å; C280-C292 WeakPolarHBondContact SG-CB 3.36Å; C280-C292 CovalentContact SG-SG 2.04Å; C280-C292 PolarHBondContact SG-SG 3.47Å | ||
| 281 | E | 54.8 | Low | 59.7 | Low | 97 Ų | 97 | 101.4 Ų | 101.4 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | trans | -69.3 | 125.2 | 176.9 | -73.5 | 177.9 | 169.5 | 0 | 0 | 107.3 | V279 L283 R297 | V279-E281 PolarHBondContact O-N 2.96Å; E281-L283 PolarHBondContact O-N 3.27Å; E281-R297 HydrophobicContact CG-CB 4.37Å; E281-R297 WeakPolarHBondContact OE1-CD 3.44Å; E281-R297 IonicContact OE1-NH1 3.09Å; E281-R297 PolarHBondContact OE1-NH1 2.87Å | ||
| 282 | P | 49.7 | Very low | 58.6 | Low | 84 Ų | 84 | 98.1 Ų | 98.1 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | trans | -62.4 | 115.6 | 172.6 | 25.8 | -30.8 | 0 | 0 | 0 | 107.2 | L284 | P282-L284 VanDerWaalsContact C-N 3.34Å; P282-L284 PolarHBondContact O-N 2.04Å | ||
| 283 | L | 45 | Very low | 56.8 | Low | 91 Ų | 91 | 104 Ų | 104 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -61.9 | 104.4 | 163.2 | -69.6 | 175.4 | 0 | 0 | 0 | 106.3 | E281 G285 Y293 | E281-L283 PolarHBondContact O-N 3.27Å; L283-G285 VanDerWaalsContact C-N 3.26Å; L283-G285 PolarHBondContact O-N 3.42Å; L283-Y293 HydrophobicContact CD1-CD2 4.28Å; L283-Y293 HydrophobicContact CD1-CG 4.41Å |
| 284 | L | 45.7 | Very low | 55.5 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 28.7 | 164 | -63.6 | 147.4 | 0 | 0 | 0 | 115.8 | I126 P282 Y286 | I126-L284 HydrophobicContact CD1-CB 3.92Å; I126-L284 HydrophobicContact CD1-CD2 4.41Å; I126-L284 HydrophobicContact CG2-CD1 4.31Å; P282-L284 VanDerWaalsContact C-N 3.34Å; P282-L284 PolarHBondContact O-N 2.04Å; L284-Y286 PolarHBondContact O-N 2.94Å |
| 285 | G | 40.2 | Very low | 54.4 | Low | 60 Ų | 60 | 101.1 Ų | 101.1 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 40.8 | 148 | 0 | 0 | 0 | 0 | 0 | 119.5 | L283 | L283-G285 VanDerWaalsContact C-N 3.26Å; L283-G285 PolarHBondContact O-N 3.42Å |
| 286 | Y | 36.3 | Very low | 53.6 | Low | 82 Ų | 82 | 100 Ų | 100 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | trans | -100.5 | 109.9 | 153.6 | -165.6 | -107.8 | 0 | 0 | 0 | 109.9 | K127 V128 P130 L284 | K127-Y286 HydrophobicContact CD-CD2 4.2Å; K127-Y286 HydrophobicContact CD-CE2 4.22Å; K127-Y286 HydrophobicContact CG-CD1 4.41Å; K127-Y286 HydrophobicContact CG-CD2 3.69Å; K127-Y286 HydrophobicContact CG-CE2 4.05Å; K127-Y286 HydrophobicContact CG-CG 3.9Å; V128-Y286 WeakPolarHBondContact O-CD1 3.3Å; V128-Y286 VanDerWaalsContact O-CE1 3.28Å; V128-Y286 WeakPolarHBondContact O-CE1 3.44Å; P130-Y286 HydrophobicContact CG-CE1 4.39Å; L284-Y286 PolarHBondContact O-N 2.94Å | ||
| 287 | Y | 34.8 | Very low | 52.8 | Low | 198 Ų | 198 | 104.8 Ų | 104.8 | 78% | 0.776 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 127.1 | 167.8 | -156.5 | -107.8 | 0 | 0 | 0 | 107.4 | ||
| 288 | P | 43.1 | Very low | 52.9 | Low | 53 Ų | 53 | 101.8 Ų | 101.8 | 34% | 0.344 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | -119.7 | 1.5 | 69.7 | 20.5 | -3 | 0 | 0 | 0 | 117.1 | |||
| 289 | Y | 42.4 | Very low | 53.1 | Low | 181 Ų | 181 | 97.1 Ų | 97.1 | 71% | 0.71 | 50% | 0.501 | S | S | * | . | trans | -138.7 | 133.4 | -173.7 | -67.1 | -78.1 | 0 | 0 | 0 | 114.9 | ||||
| 290 | P | 41.6 | Very low | 53.9 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | trans | -77.8 | 127.4 | 179.7 | 30.4 | -33.2 | 0 | 0 | 0 | 112.2 | C280 | C280-P290 HydrophobicContact CB-CB 3.99Š| ||
| 291 | Y | 49.6 | Very low | 54.6 | Low | 110 Ų | 110 | 101.8 Ų | 101.8 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | trans | -83.2 | 127.5 | 175.4 | -67.8 | -84.2 | 0 | 0 | 0 | 111.6 | Y293 | Y291-Y293 PolarHBondContact O-N 2.98Š| ||
| 292 | C | 53.6 | Low | 56 | Low | 76 Ų | 76 | 102.1 Ų | 102.1 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | trans | -97.7 | 71.4 | 178.5 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | C280 Q294 G295 | C280-C292 HydrophobicContact CB-CB 4Å; C280-C292 WeakPolarHBondContact CB-SG 3.24Å; C280-C292 WeakPolarHBondContact SG-CB 3.36Å; C280-C292 CovalentContact SG-SG 2.04Å; C280-C292 PolarHBondContact SG-SG 3.47Å; C292-Q294 PolarHBondContact O-N 3.47Å; C292-G295 PolarHBondContact O-N 2.95Å | ||
| 293 | Y | 44.6 | Very low | 57.8 | Low | 156 Ų | 156 | 98.5 Ų | 98.5 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -64.3 | 128.4 | 174.2 | -165.7 | -103.6 | 0 | 0 | 0 | 110.1 | L283 Y291 G295 G296 | L283-Y293 HydrophobicContact CD1-CD2 4.28Å; L283-Y293 HydrophobicContact CD1-CG 4.41Å; Y291-Y293 PolarHBondContact O-N 2.98Å; Y293-G295 PolarHBondContact O-N 3.43Å; Y293-G296 PolarHBondContact O-N 3.29Å; Y293-G296 VanDerWaalsContact O-N 3.15Å |
| 294 | Q | 53.2 | Low | 59.9 | Low | 175 Ų | 175 | 97.3 Ų | 97.3 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | 51.3 | 27.6 | -177.8 | -62.2 | -179 | -3.4 | 0 | 0 | 115.4 | C292 | C292-Q294 PolarHBondContact O-N 3.47Š|
| 295 | G | 58.3 | Low | 61.9 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 44% | 0.443 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | 89 | 5.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C292 Y293 | C292-G295 PolarHBondContact O-N 2.95Å; Y293-G295 PolarHBondContact O-N 3.43Å |
| 296 | G | 65.6 | Low | 64.1 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 26% | 0.258 | 44% | 0.439 | S | S | . | . | trans | 77.9 | 164.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y293 | Y293-G296 PolarHBondContact O-N 3.29Å; Y293-G296 VanDerWaalsContact O-N 3.15Å | ||
| 297 | R | 66.6 | Low | 66.3 | Low | 154 Ų | 154 | 86.6 Ų | 86.6 | 58% | 0.581 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134 | 178.9 | -174.7 | 175.8 | 178.3 | 178.5 | 0.4 | 110.1 | R278 V279 E281 I299 | R278-R297 WeakPolarHBondContact CA-O 3.07Å; V279-R297 PolarHBondContact N-O 3.13Å; V279-R297 PolarHBondContact O-N 3.17Å; E281-R297 HydrophobicContact CG-CB 4.37Å; E281-R297 WeakPolarHBondContact OE1-CD 3.44Å; E281-R297 IonicContact OE1-NH1 3.09Å; E281-R297 PolarHBondContact OE1-NH1 2.87Å; R297-I299 HydrophobicContact CG-CG1 4.35Å; R297-I299 PolarHBondContact O-N 3.45Å |
| 298 | V | 77.6 | Confident | 68.7 | Low | 77 Ų | 77 | 80.8 Ų | 80.8 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.8 | 171.1 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | C276 R278 | C276-V298 HydrophobicContact CB-CG1 3.77Å; R278-V298 HydrophobicContact CG-CG2 3.83Å |
| 299 | I | 77.8 | Confident | 70.7 | Confident | 84 Ų | 84 | 83.7 Ų | 83.7 | 43% | 0.431 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.2 | 171.7 | -57.2 | -178.4 | 0 | 0 | 0 | 107.5 | C276 R277 V279 R297 | C276-I299 WeakPolarHBondContact CA-O 3.32Å; R277-I299 PolarHBondContact N-O 3.02Å; R277-I299 PolarHBondContact O-N 2.86Å; V279-I299 HydrophobicContact CB-CD1 4.02Å; V279-I299 HydrophobicContact CB-CG1 4.4Å; V279-I299 HydrophobicContact CG1-CD1 4.48Å; V279-I299 HydrophobicContact CG2-CB 4.3Å; V279-I299 HydrophobicContact CG2-CD1 3.95Å; V279-I299 HydrophobicContact CG2-CG1 4.22Å; R297-I299 HydrophobicContact CG-CG1 4.35Å; R297-I299 PolarHBondContact O-N 3.45Å |
| 300 | C | 83.6 | Confident | 72.6 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.7 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 110.2 | R274 Y275 C276 | R274-C300 HydrophobicContact CG-CB 3.92Å; Y275-C300 CarbonylContact O-C 3.57Å; Y275-C300 VanDerWaalsContact O-CA 3.31Å; Y275-C300 WeakPolarHBondContact O-CA 3.08Å; C276-C300 HydrophobicContact CB-CB 4.12Å; C276-C300 WeakPolarHBondContact CB-SG 3.34Å; C276-C300 WeakPolarHBondContact SG-CB 3.49Å; C276-C300 CovalentContact SG-SG 2.04Å; C276-C300 PolarHBondContact SG-SG 3.27Å |
| 301 | R | 81.9 | Confident | 74.3 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 46% | 0.457 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 154.5 | 171 | 60.4 | 177.2 | 179.1 | -162.2 | -3.8 | 110.3 | R262 G263 Y275 I303 | R262-R301 PolarHBondContact O-NH2 3.14Å; G263-R301 PolarHBondContact O-NE 3.48Å; G263-R301 PolarHBondContact O-NH2 3.13Å; Y275-R301 HydrophobicContact CD1-CG 4.34Å; Y275-R301 PolarHBondContact N-O 2.95Å; Y275-R301 PolarHBondContact O-N 3.37Å; R301-I303 HydrophobicContact CG-CG2 4.01Å |
| 302 | V | 85.6 | Confident | 75.8 | Confident | 105 Ų | 105 | 74.2 Ų | 74.2 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.3 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | N273 | N273-V302 WeakPolarHBondContact O-CA 3.27Å |
| 303 | I | 87.1 | Confident | 77 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.5 | 175.8 | 61.6 | 169.1 | 0 | 0 | 0 | 109 | G263 C266 G272 N273 Y275 R301 | G263-I303 WeakPolarHBondContact O-CG2 3.36Å; C266-I303 HydrophobicContact CB-CD1 3.69Å; C266-I303 HydrophobicContact CB-CG1 4.29Å; G272-I303 CarbonylContact C-O 3.53Å; G272-I303 WeakPolarHBondContact CA-O 3.24Å; N273-I303 PolarHBondContact N-O 2.96Å; N273-I303 WeakPolarHBondContact O-CG1 2.98Å; N273-I303 PolarHBondContact O-N 3.07Å; Y275-I303 HydrophobicContact CD2-CD1 4.11Å; Y275-I303 HydrophobicContact CG-CD1 4.18Å; Y275-I303 HydrophobicContact CG-CG2 4.3Å; R301-I303 HydrophobicContact CG-CG2 4.01Å |
| 304 | M | 88.5 | Confident | 78.6 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 159.6 | 176.3 | -69.1 | -61.9 | -168.9 | 0 | 0 | 111.2 | C265 C266 W308 | C265-M304 VanDerWaalsContact CA-O 3.32Å; C265-M304 WeakPolarHBondContact CA-O 3.46Å; C265-M304 WeakPolarHBondContact CB-O 3.44Å; C266-M304 PolarHBondContact N-O 3.48Å; C266-M304 VanDerWaalsContact N-O 3.07Å; M304-W308 HydrophobicContact CB-CB 4.26Å; M304-W308 HydrophobicContact CB-CD2 3.8Å; M304-W308 HydrophobicContact CB-CE3 3.44Å; M304-W308 VanDerWaalsContact CB-CE3 3.44Å; M304-W308 HydrophobicContact CB-CG 4.16Å; M304-W308 HydrophobicContact CB-CZ3 4.06Å; M304-W308 HydrophobicContact CG-CD2 3.89Å; M304-W308 HydrophobicContact CG-CE3 3.67Å; M304-W308 HydrophobicContact CG-CH2 4.3Å; M304-W308 HydrophobicContact CG-CZ3 3.89Å |
| 305 | P | 88.3 | Confident | 79.6 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -54.2 | 143.9 | 171 | -27.5 | 37 | 0 | 0 | 0 | 112.2 | C266 C269 N307 W308 W309 | C266-P305 CarbonylContact O-C 3.53Å; C266-P305 VanDerWaalsContact O-CA 3.27Å; C266-P305 WeakPolarHBondContact O-CA 3.48Å; C269-P305 VanDerWaalsContact O-CB 3.24Å; C269-P305 WeakPolarHBondContact O-CB 3.37Å; C269-P305 WeakPolarHBondContact O-CG 3.05Å; P305-N307 PolarHBondContact O-N 2.81Å; P305-W308 HydrophobicContact CB-CB 4.21Å; P305-W308 VanDerWaalsContact O-CB 3.24Å; P305-W308 WeakPolarHBondContact O-CB 3.48Å; P305-W308 PolarHBondContact O-N 3.14Å; P305-W309 PolarHBondContact O-N 3.38Å |
| 306 | C | 86.6 | Confident | 80 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 178.3 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | F255 C265 C266 I267 W308 W309 V310 | F255-C306 HydrophobicContact CD1-CB 3.72Å; F255-C306 HydrophobicContact CD2-CB 4.09Å; F255-C306 HydrophobicContact CE1-CB 3.66Å; F255-C306 HydrophobicContact CE2-CB 4.05Å; F255-C306 HydrophobicContact CG-CB 3.93Å; F255-C306 HydrophobicContact CZ-CB 3.81Å; C265-C306 HydrophobicContact CB-CB 3.89Å; C265-C306 WeakPolarHBondContact CB-SG 3.37Å; C265-C306 WeakPolarHBondContact SG-CA 3.38Å; C265-C306 WeakPolarHBondContact SG-CB 3.32Å; C265-C306 CovalentContact SG-SG 2.04Å; C265-C306 PolarHBondContact SG-SG 2.96Å; C266-C306 VanDerWaalsContact C-SG 3.51Å; C266-C306 PolarHBondContact O-N 3.03Å; I267-C306 VanDerWaalsContact CG1-SG 3.6Å; C306-W308 PolarHBondContact O-N 3.47Å; C306-W309 WeakPolarHBondContact O-CB 3.48Å; C306-W309 PolarHBondContact O-N 3.32Å; C306-W309 VanDerWaalsContact O-N 3.13Å; C306-V310 PolarHBondContact O-N 3.2Å; C306-V310 VanDerWaalsContact O-N 3.14Å |
| 307 | N | 82.8 | Confident | 79.8 | Confident | 27 Ų | 27 | 80.6 Ų | 80.6 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.3 | -28.4 | 174.8 | -65.4 | -18.4 | 0 | 0 | 0 | 113.2 | N246 Y248 F255 P305 V310 A311 | N246-N307 WeakPolarHBondContact O-CB 3.37Å; N246-N307 PolarHBondContact O-ND2 3.45Å; Y248-N307 HydrophobicContact CD2-CB 4.05Å; Y248-N307 HydrophobicContact CE2-CB 3.97Å; Y248-N307 WeakPolarHBondContact CE2-O 3.49Å; F255-N307 WeakPolarHBondContact CE2-OD1 3.37Å; F255-N307 WeakPolarHBondContact CZ-OD1 3.31Å; P305-N307 PolarHBondContact O-N 2.81Å; N307-V310 PolarHBondContact O-N 3.21Å; N307-A311 WeakPolarHBondContact O-CB 3.41Å; N307-A311 PolarHBondContact O-N 2.93Å |
| 308 | W | 85.6 | Confident | 80.5 | Confident | 76 Ų | 76 | 77 Ų | 77 | 29% | 0.288 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 175.2 | 179.7 | 89.1 | 0 | 0 | 0 | 111.4 | M304 P305 C306 A311 R312 | M304-W308 HydrophobicContact CB-CB 4.26Å; M304-W308 HydrophobicContact CB-CD2 3.8Å; M304-W308 HydrophobicContact CB-CE3 3.44Å; M304-W308 VanDerWaalsContact CB-CE3 3.44Å; M304-W308 HydrophobicContact CB-CG 4.16Å; M304-W308 HydrophobicContact CB-CZ3 4.06Å; M304-W308 HydrophobicContact CG-CD2 3.89Å; M304-W308 HydrophobicContact CG-CE3 3.67Å; M304-W308 HydrophobicContact CG-CH2 4.3Å; M304-W308 HydrophobicContact CG-CZ3 3.89Å; P305-W308 HydrophobicContact CB-CB 4.21Å; P305-W308 VanDerWaalsContact O-CB 3.24Å; P305-W308 WeakPolarHBondContact O-CB 3.48Å; P305-W308 PolarHBondContact O-N 3.14Å; C306-W308 PolarHBondContact O-N 3.47Å; W308-A311 PolarHBondContact O-N 3.05Å; W308-R312 WeakPolarHBondContact O-CB 3.45Å; W308-R312 PolarHBondContact O-N 3.41Å |
| 309 | W | 83.3 | Confident | 80.6 | Confident | 114 Ų | 114 | 76.9 Ų | 76.9 | 43% | 0.432 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.3 | -74.9 | 107.6 | 0 | 0 | 0 | 111.9 | P305 C306 R312 M313 | P305-W309 PolarHBondContact O-N 3.38Å; C306-W309 WeakPolarHBondContact O-CB 3.48Å; C306-W309 PolarHBondContact O-N 3.32Å; C306-W309 VanDerWaalsContact O-N 3.13Å; W309-R312 WeakPolarHBondContact O-CB 3.38Å; W309-R312 PolarHBondContact O-N 3.2Å; W309-M313 WeakPolarHBondContact O-CG 3.33Å; W309-M313 PolarHBondContact O-N 2.88Å |
| 310 | V | 82.8 | Confident | 80.8 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | Y248 I253 F255 C306 N307 R312 M313 L314 | Y248-V310 HydrophobicContact CD1-CG1 4.15Å; Y248-V310 HydrophobicContact CD2-CB 3.93Å; Y248-V310 HydrophobicContact CD2-CG1 3.67Å; Y248-V310 HydrophobicContact CE1-CG1 4.25Å; Y248-V310 HydrophobicContact CE2-CB 3.92Å; Y248-V310 HydrophobicContact CE2-CG1 3.76Å; Y248-V310 HydrophobicContact CG-CG1 3.87Å; I253-V310 HydrophobicContact CD1-CG1 3.99Å; I253-V310 HydrophobicContact CG2-CG2 4.43Å; F255-V310 HydrophobicContact CE1-CG2 3.71Å; F255-V310 HydrophobicContact CZ-CG2 3.6Å; C306-V310 PolarHBondContact O-N 3.2Å; C306-V310 VanDerWaalsContact O-N 3.14Å; N307-V310 PolarHBondContact O-N 3.21Å; V310-R312 VanDerWaalsContact C-N 3.26Å; V310-R312 PolarHBondContact O-N 2.98Å; V310-M313 PolarHBondContact O-N 3.33Å; V310-L314 HydrophobicContact CG1-CD1 3.83Å; V310-L314 HydrophobicContact CG1-CG 4.38Å; V310-L314 WeakPolarHBondContact O-CB 3.16Å; V310-L314 VanDerWaalsContact O-CG 3.31Å; V310-L314 WeakPolarHBondContact O-CG 3.31Å; V310-L314 PolarHBondContact O-N 2.66Å |
| 311 | A | 78.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 7% | 0.066 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N307 W308 L314 G315 R316 V317 | N307-A311 WeakPolarHBondContact O-CB 3.41Å; N307-A311 PolarHBondContact O-N 2.93Å; W308-A311 PolarHBondContact O-N 3.05Å; A311-L314 CarbonylContact O-C 3.55Å; A311-L314 PolarHBondContact O-N 3.06Å; A311-G315 PolarHBondContact O-N 3.15Å; A311-G315 VanDerWaalsContact O-N 3.14Å; A311-R316 HydrophobicContact CB-CB 4.36Å; A311-R316 PolarHBondContact O-N 3.45Å; A311-V317 HydrophobicContact CB-CG2 3.55Å |
| 312 | R | 79.4 | Confident | 80.5 | Confident | 138 Ų | 138 | 74.8 Ų | 74.8 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65 | -44 | 175.6 | -173.3 | 178.2 | -178 | 81.1 | 1.6 | 112.5 | W308 W309 V310 L314 G315 | W308-R312 WeakPolarHBondContact O-CB 3.45Å; W308-R312 PolarHBondContact O-N 3.41Å; W309-R312 WeakPolarHBondContact O-CB 3.38Å; W309-R312 PolarHBondContact O-N 3.2Å; V310-R312 VanDerWaalsContact C-N 3.26Å; V310-R312 PolarHBondContact O-N 2.98Å; R312-L314 VanDerWaalsContact C-N 3.26Å; R312-L314 PolarHBondContact O-N 3.2Å; R312-G315 PolarHBondContact O-N 3.49Å |
| 313 | M | 79.1 | Confident | 80.2 | Confident | 165 Ų | 165 | 72.7 Ų | 72.7 | 81% | 0.813 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.3 | -33.2 | 176.6 | -66.2 | -66.5 | -88.3 | 0 | 0 | 111.9 | W309 V310 G315 | W309-M313 WeakPolarHBondContact O-CG 3.33Å; W309-M313 PolarHBondContact O-N 2.88Å; V310-M313 PolarHBondContact O-N 3.33Å; M313-G315 VanDerWaalsContact C-N 3.27Å; M313-G315 PolarHBondContact O-N 2.92Å |
| 314 | L | 77.7 | Confident | 79.7 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.2 | 174.7 | -62.9 | 176 | 0 | 0 | 0 | 113.6 | Y248 V310 A311 R312 R316 | Y248-L314 HydrophobicContact CE1-CD1 4.23Å; V310-L314 HydrophobicContact CG1-CD1 3.83Å; V310-L314 HydrophobicContact CG1-CG 4.38Å; V310-L314 WeakPolarHBondContact O-CB 3.16Å; V310-L314 VanDerWaalsContact O-CG 3.31Å; V310-L314 WeakPolarHBondContact O-CG 3.31Å; V310-L314 PolarHBondContact O-N 2.66Å; A311-L314 CarbonylContact O-C 3.55Å; A311-L314 PolarHBondContact O-N 3.06Å; R312-L314 VanDerWaalsContact C-N 3.26Å; R312-L314 PolarHBondContact O-N 3.2Å; L314-R316 VanDerWaalsContact C-N 3.35Å; L314-R316 HydrophobicContact CB-CG 4.19Å; L314-R316 PolarHBondContact O-N 3.37Å |
| 315 | G | 75.1 | Confident | 79 | Confident | 66 Ų | 66 | 78.2 Ų | 78.2 | 68% | 0.68 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 26.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A311 R312 M313 | A311-G315 PolarHBondContact O-N 3.15Å; A311-G315 VanDerWaalsContact O-N 3.14Å; R312-G315 PolarHBondContact O-N 3.49Å; M313-G315 VanDerWaalsContact C-N 3.27Å; M313-G315 PolarHBondContact O-N 2.92Å |
| 316 | R | 66.5 | Low | 78.3 | Confident | 164 Ų | 164 | 83.2 Ų | 83.2 | 62% | 0.619 | 41% | 0.412 | S | S | * | . | trans | -99.8 | 9.4 | -175.6 | -63.1 | -178.3 | 173.5 | 155.7 | -4.7 | 114.2 | A311 L314 | A311-R316 HydrophobicContact CB-CB 4.36Å; A311-R316 PolarHBondContact O-N 3.45Å; L314-R316 VanDerWaalsContact C-N 3.35Å; L314-R316 HydrophobicContact CB-CG 4.19Å; L314-R316 PolarHBondContact O-N 3.37Å | ||
| 317 | V | 61.8 | Low | 77.5 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 74% | 0.739 | 45% | 0.448 | S | S | * | . | trans | -125.8 | 0 | -176.5 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | A311 | A311-V317 HydrophobicContact CB-CG2 3.55Š|
Retrieved 317 of 317 residues in 47 ms
(Link to these results)