| 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 | 54.4 | Low | 51.9 | Low | 237 Ų | 237 | 110.5 Ų | 110.5 | 100% | 1.167 | 64% | 0.643 | S | S | * | * | 0 | 27.5 | 0 | -65.9 | -65.7 | -84.8 | 0 | 0 | 113.3 | |||||
| 2 | G | 53 | Low | 51.5 | Low | 55 Ų | 55 | 106.4 Ų | 106.4 | 57% | 0.567 | 63% | 0.625 | S | S | * | * | trans | -103.9 | -9.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3 | L | 49.4 | Very low | 51.4 | Low | 148 Ų | 148 | 109.7 Ų | 109.7 | 78% | 0.775 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -90.9 | -27.4 | -175.9 | -90.4 | 140.6 | 0 | 0 | 0 | 113.9 | ||
| 4 | C | 47.3 | Very low | 51.2 | Low | 96 Ų | 96 | 105.7 Ų | 105.7 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.6 | -28.1 | 175.9 | -74.1 | 0 | 0 | 0 | 0 | 113.4 | L8 | C4-L8 PolarHBondContact O-N 3.15Å |
| 5 | A | 53.4 | Low | 50.9 | Low | 54 Ų | 54 | 108.5 Ų | 108.5 | 45% | 0.446 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.9 | -34.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I9 | A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 VanDerWaalsContact O-CG1 3.31Å; A5-I9 WeakPolarHBondContact O-CG1 3.34Å; A5-I9 PolarHBondContact O-N 3.26Å |
| 6 | V | 58 | Low | 50.5 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.4 | -36.8 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | L8 I9 C10 | V6-L8 PolarHBondContact O-N 2.84Å; V6-I9 PolarHBondContact O-N 3.48Å; V6-C10 PolarHBondContact O-N 3.12Å; V6-C10 PolarHBondContact O-SG 2.87Å; V6-C10 VanDerWaalsContact O-SG 3.39Å |
| 7 | L | 52.6 | Low | 50.2 | Low | 110 Ų | 110 | 105.4 Ų | 105.4 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.4 | -35.4 | 176.8 | -100.6 | 150.4 | 0 | 0 | 0 | 113.2 | L11 | L7-L11 WeakPolarHBondContact O-CD1 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 2.84Å; L7-L11 VanDerWaalsContact O-N 3.16Å |
| 8 | L | 49.6 | Very low | 49.9 | Very low | 124 Ų | 124 | 110.2 Ų | 110.2 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.6 | -30.8 | 176.7 | -76.2 | 166.3 | 0 | 0 | 0 | 112.9 | C4 V6 S12 | C4-L8 PolarHBondContact O-N 3.15Å; V6-L8 PolarHBondContact O-N 2.84Å; L8-S12 PolarHBondContact O-N 2.83Å; L8-S12 PolarHBondContact O-OG 2.91Å |
| 9 | I | 55.3 | Low | 49.6 | Very low | 107 Ų | 107 | 109.2 Ų | 109.2 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.8 | -34.9 | 176 | -64.5 | 166.7 | 0 | 0 | 0 | 111 | A5 V6 S12 Q13 | A5-I9 WeakPolarHBondContact O-CD1 3.46Å; A5-I9 VanDerWaalsContact O-CG1 3.31Å; A5-I9 WeakPolarHBondContact O-CG1 3.34Å; A5-I9 PolarHBondContact O-N 3.26Å; V6-I9 PolarHBondContact O-N 3.48Å; I9-S12 PolarHBondContact O-OG 3.46Å; I9-S12 VanDerWaalsContact O-OG 3.07Å; I9-Q13 PolarHBondContact O-N 2.89Å |
| 10 | C | 49.8 | Very low | 49.1 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.5 | -31.3 | 175.3 | -69.1 | 0 | 0 | 0 | 0 | 113 | V6 A14 | V6-C10 PolarHBondContact O-N 3.12Å; V6-C10 PolarHBondContact O-SG 2.87Å; V6-C10 VanDerWaalsContact O-SG 3.39Å; C10-A14 PolarHBondContact O-N 3.4Å |
| 11 | L | 47.7 | Very low | 48.8 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 58% | 0.581 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.8 | -33.9 | 177.2 | -77.5 | 163.3 | 0 | 0 | 0 | 112.7 | L7 A14 E15 | L7-L11 WeakPolarHBondContact O-CD1 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 2.84Å; L7-L11 VanDerWaalsContact O-N 3.16Å; L11-A14 PolarHBondContact O-N 3Å; L11-E15 PolarHBondContact O-N 3.06Å |
| 12 | S | 48 | Very low | 48.1 | Very low | 61 Ų | 61 | 105.6 Ų | 105.6 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.6 | -32.2 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | L8 I9 L16 | L8-S12 PolarHBondContact O-N 2.83Å; L8-S12 PolarHBondContact O-OG 2.91Å; I9-S12 PolarHBondContact O-OG 3.46Å; I9-S12 VanDerWaalsContact O-OG 3.07Å; S12-L16 PolarHBondContact O-N 3.47Å |
| 13 | Q | 49.7 | Very low | 47.3 | Very low | 149 Ų | 149 | 110.1 Ų | 110.1 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.4 | -25.3 | 174.7 | -67.7 | -152.4 | -17.4 | 0 | 0 | 113.5 | I9 G17 | I9-Q13 PolarHBondContact O-N 2.89Å; Q13-G17 PolarHBondContact O-N 3.05Å |
| 14 | A | 48.5 | Very low | 46.7 | Very low | 54 Ų | 54 | 107.8 Ų | 107.8 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.4 | -24.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C10 L11 | C10-A14 PolarHBondContact O-N 3.4Å; L11-A14 PolarHBondContact O-N 3Å |
| 15 | E | 47.4 | Very low | 46.2 | Very low | 147 Ų | 147 | 110.7 Ų | 110.7 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.8 | -38.2 | 174.5 | -75.9 | -166.4 | 153.9 | 0 | 0 | 112.6 | L11 G17 R18 V19 | L11-E15 PolarHBondContact O-N 3.06Å; E15-G17 PolarHBondContact O-N 3.49Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 VanDerWaalsContact O-N 3.1Å; E15-V19 PolarHBondContact O-N 3.45Å |
| 16 | L | 44.1 | Very low | 45.4 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 60% | 0.602 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64 | -37.7 | 176.4 | -98.1 | 140.1 | 0 | 0 | 0 | 113.1 | S12 R18 V19 W20 | S12-L16 PolarHBondContact O-N 3.47Å; L16-R18 PolarHBondContact O-N 3.14Å; L16-V19 PolarHBondContact O-N 3.04Å; L16-W20 PolarHBondContact O-N 3.15Å |
| 17 | G | 45.5 | Very low | 44.3 | Very low | 49 Ų | 49 | 114.3 Ų | 114.3 | 51% | 0.505 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.8 | -21.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q13 E15 A21 | Q13-G17 PolarHBondContact O-N 3.05Å; E15-G17 PolarHBondContact O-N 3.49Å; G17-A21 WeakPolarHBondContact O-CB 3.07Å; G17-A21 PolarHBondContact O-N 2.93Å |
| 18 | R | 43.9 | Very low | 43.4 | Very low | 193 Ų | 193 | 119.5 Ų | 119.5 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86 | -28.7 | -179.4 | -144.5 | -175.2 | -71.4 | -118 | 5.9 | 112.4 | E15 L16 | E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 VanDerWaalsContact O-N 3.1Å; L16-R18 PolarHBondContact O-N 3.14Å |
| 19 | V | 44.1 | Very low | 42.4 | Very low | 91 Ų | 91 | 125 Ų | 125 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.8 | -41.4 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | E15 L16 Q22 E23 | E15-V19 PolarHBondContact O-N 3.45Å; L16-V19 PolarHBondContact O-N 3.04Å; V19-Q22 PolarHBondContact O-N 3.34Å; V19-E23 PolarHBondContact O-N 2.84Å |
| 20 | W | 39.2 | Very low | 41 | Very low | 194 Ų | 194 | 123.6 Ų | 123.6 | 74% | 0.735 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.9 | -29.4 | 177.6 | -83.1 | 56.4 | 0 | 0 | 0 | 113.9 | L16 Q22 C24 | L16-W20 PolarHBondContact O-N 3.15Å; W20-Q22 VanDerWaalsContact C-N 3.3Å; W20-Q22 PolarHBondContact O-N 3.24Å; W20-C24 PolarHBondContact O-N 2.93Å |
| 21 | A | 44.3 | Very low | 40 | Very low | 58 Ų | 58 | 126.6 Ų | 126.6 | 48% | 0.479 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -75.3 | -18.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G17 | G17-A21 WeakPolarHBondContact O-CB 3.07Å; G17-A21 PolarHBondContact O-N 2.93Å |
| 22 | Q | 38.2 | Very low | 39 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -84.7 | -38.2 | 175.9 | -162.3 | 76.5 | 3.3 | 0 | 0 | 111 | V19 W20 C24 K25 | V19-Q22 PolarHBondContact O-N 3.34Å; W20-Q22 VanDerWaalsContact C-N 3.3Å; W20-Q22 PolarHBondContact O-N 3.24Å; Q22-C24 VanDerWaalsContact C-N 3.34Å; Q22-C24 PolarHBondContact O-N 3.17Å; Q22-K25 PolarHBondContact O-N 3.07Å |
| 23 | E | 37.8 | Very low | 38 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.8 | -26.1 | -179.5 | -152 | 150.2 | -160.4 | 0 | 0 | 112.8 | V19 K25 | V19-E23 PolarHBondContact O-N 2.84Å; E23-K25 VanDerWaalsContact C-N 3.35Å |
| 24 | C | 36.5 | Very low | 36.8 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -6 | 175.5 | -150.8 | 0 | 0 | 0 | 0 | 114.3 | W20 Q22 | W20-C24 PolarHBondContact O-N 2.93Å; Q22-C24 VanDerWaalsContact C-N 3.34Å; Q22-C24 PolarHBondContact O-N 3.17Å |
| 25 | K | 37 | Very low | 35.8 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 68% | 0.683 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -17.1 | 177.9 | -96.8 | 178.7 | 177.9 | 171.6 | 0 | 114.5 | Q22 E23 | Q22-K25 PolarHBondContact O-N 3.07Å; E23-K25 VanDerWaalsContact C-N 3.35Å |
| 26 | D | 35.2 | Very low | 34.9 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -94.1 | -7.6 | 178.4 | -71.7 | -23.3 | 0 | 0 | 0 | 113.7 | ||
| 27 | A | 36.8 | Very low | 34 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -89.2 | -6.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 28 | Y | 32.6 | Very low | 33 | Very low | 219 Ų | 219 | 140.3 Ų | 140.3 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -126.1 | 54.7 | -178.5 | -109.4 | -89.1 | 0 | 0 | 0 | 111.8 | ||
| 29 | R | 27.9 | Very low | 32.1 | Very low | 240 Ų | 240 | 137 Ų | 137 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -142.5 | 83.7 | 165.3 | -118.7 | -175.2 | -173.3 | -155.2 | 2.1 | 111 | ||||
| 30 | G | 27.6 | Very low | 31.3 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -156.9 | 101.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | T | 27.8 | Very low | 30.6 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | trans | -69.8 | 151.3 | -163.3 | -41.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 32 | A | 26 | Very low | 29.7 | Very low | 80 Ų | 80 | 138 Ų | 138 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | trans | -76.9 | 168.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 33 | L | 28.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 93.3 | 114.1 | 144.2 | -121.9 | 88.5 | 0 | 0 | 0 | 119.5 | ||||
| 34 | R | 25.3 | Very low | 28.5 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | -163.5 | 139.1 | 111.3 | -107.1 | 177.2 | -177.8 | 177.2 | 1 | 113.3 | |||||
| 35 | T | 27.5 | Very low | 28.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -84.3 | 165.3 | 179.3 | 33.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 36 | D | 27.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | 104.1 | 129.8 | 142.2 | -74.8 | -24.6 | 0 | 0 | 0 | 120.9 | ||||
| 37 | G | 25.8 | Very low | 27.1 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 127 | 83.5 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 38 | D | 24.8 | Very low | 26.6 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 59.5 | 124.4 | 116.4 | -87.9 | -1 | 0 | 0 | 0 | 124.5 | |||||
| 39 | T | 25.5 | Very low | 26.3 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | 79.1 | 129.8 | 135.7 | -11.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 40 | A | 25.4 | Very low | 26.3 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 67 | 151.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 41 | S | 25.2 | Very low | 26.3 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | cis | 174.1 | 145.7 | -11.5 | 57.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 42 | F | 25.5 | Very low | 26.2 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 66.6 | 146.4 | 156.1 | -84.6 | -120.8 | 0 | 0 | 0 | 116.3 | ||||
| 43 | Q | 26.4 | Very low | 26.3 | Very low | 136 Ų | 136 | 155 Ų | 155 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | cis | -166.7 | 151.1 | 8.7 | -137.5 | 171.3 | 1.3 | 0 | 0 | 107.6 | ||||
| 44 | R | 24.5 | Very low | 26.3 | Very low | 219 Ų | 219 | 156.8 Ų | 156.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 25.5 | 134.8 | 144.6 | -71.7 | 175.3 | 178.7 | 164.2 | -0.6 | 119 | ||||
| 45 | T | 27.4 | Very low | 26.3 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | -160.5 | 140.8 | 98.9 | -49.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 46 | R | 25.5 | Very low | 26.2 | Very low | 234 Ų | 234 | 158.7 Ų | 158.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -71.8 | 147.2 | 175.5 | 175.7 | -175.8 | -174.8 | 170 | 2 | 111.6 | ||||
| 47 | G | 26.7 | Very low | 26.1 | Very low | 73 Ų | 73 | 159.8 Ų | 159.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 176.1 | 91.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 48 | D | 26.5 | Very low | 26.2 | Very low | 157 Ų | 157 | 161.3 Ų | 161.3 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -51.8 | 137.3 | 164 | -80.4 | -51.4 | 0 | 0 | 0 | 112.3 | ||||
| 49 | R | 26.8 | Very low | 26.2 | Very low | 244 Ų | 244 | 164.4 Ų | 164.4 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -166 | 112.7 | 134.8 | -126 | 170.6 | 160.3 | 166.7 | -6 | 112.1 | ||||
| 50 | Q | 27.4 | Very low | 26.3 | Very low | 188 Ų | 188 | 166 Ų | 166 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -53.3 | 134.4 | 152.3 | -72.4 | 171.2 | -35.7 | 0 | 0 | 109.5 | ||||
| 51 | N | 26.3 | Very low | 26.4 | Very low | 147 Ų | 147 | 165.9 Ų | 165.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | -163.9 | 142.1 | 118.3 | -134.7 | -4.5 | 0 | 0 | 0 | 112.8 | |||||
| 52 | Q | 27 | Very low | 26.6 | Very low | 164 Ų | 164 | 170.4 Ų | 170.4 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | trans | -52.7 | 143.3 | 163.7 | -65.2 | 165.3 | -20 | 0 | 0 | 110.8 | ||||
| 53 | Q | 27.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 166.7 Ų | 166.7 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | -175.6 | 129.2 | 120 | -145.4 | 110.5 | -38.7 | 0 | 0 | 111.8 | |||||
| 54 | K | 27.6 | Very low | 26.8 | Very low | 189 Ų | 189 | 169.7 Ų | 169.7 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | trans | -12.6 | 130.8 | 150.3 | -70.2 | 168.8 | 170.3 | 175 | 0 | 116.7 | ||||
| 55 | H | 26.6 | Very low | 27 | Very low | 170 Ų | 170 | 162.7 Ų | 162.7 | 79% | 0.787 | 83% | 0.831 | S | S | * | * | trans | -144.1 | 110.6 | 139.9 | -96.8 | -73.9 | 0 | 0 | 0 | 107.7 | ||||
| 56 | R | 24.7 | Very low | 27.3 | Very low | 220 Ų | 220 | 160.4 Ų | 160.4 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | 75.7 | 110.6 | 73.4 | -157.6 | 178.8 | -165.4 | 178.7 | 3.3 | 110.3 | |||||
| 57 | E | 26.2 | Very low | 27.4 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | -42.6 | 135.3 | 169.6 | -62.1 | 166 | 133.3 | 0 | 0 | 112 | ||||
| 58 | A | 26.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 155.4 Ų | 155.4 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -126.7 | 111.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 59 | R | 25.7 | Very low | 27.6 | Very low | 224 Ų | 224 | 154.3 Ų | 154.3 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -84.3 | 135.9 | 157.6 | -67.9 | -178.5 | -161.1 | -177.3 | 4.7 | 107.3 | ||||
| 60 | N | 26.7 | Very low | 28 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | -170.5 | 129.3 | 126.1 | -95.3 | -13.9 | 0 | 0 | 0 | 113.2 | |||||
| 61 | A | 28.8 | Very low | 28 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | 63.4 | 102.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 62 | Q | 27.4 | Very low | 28.1 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | 43 | 112 | 122.8 | -83.2 | 167.1 | -50.4 | 0 | 0 | 119.9 | |||||
| 63 | A | 27.8 | Very low | 28.2 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -133.1 | 125 | 137 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 64 | E | 28.9 | Very low | 28.3 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 132.3 | 175.9 | -72.7 | 174.1 | 135.7 | 0 | 0 | 111.2 | ||||
| 65 | G | 29 | Very low | 28.5 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -174.6 | 99.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | G67 | G65-G67 PolarHBondContact O-N 3.09Å; G65-G67 VanDerWaalsContact O-N 3.11Å | ||
| 66 | G | 34.4 | Very low | 28.9 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 100% | 1 | 79% | 0.793 | S | S | * | * | trans | -58.2 | 111.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 67 | G | 26.7 | Very low | 29.1 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | trans | -136.1 | 123.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | G65 D69 | G65-G67 PolarHBondContact O-N 3.09Å; G65-G67 VanDerWaalsContact O-N 3.11Å; G67-D69 VanDerWaalsContact C-N 3.34Å; G67-D69 PolarHBondContact O-N 2.85Å | ||
| 68 | V | 31.8 | Very low | 29.4 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 98 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | I70 | V68-I70 HydrophobicContact CG1-CG1 4.35Å; V68-I70 PolarHBondContact O-N 2.84Å | ||
| 69 | D | 25.3 | Very low | 29.9 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -71.5 | 94.3 | 173.5 | -167.8 | 15.8 | 0 | 0 | 0 | 107.5 | G67 S71 | G67-D69 VanDerWaalsContact C-N 3.34Å; G67-D69 PolarHBondContact O-N 2.85Å; D69-S71 PolarHBondContact O-N 3.18Å | ||
| 70 | I | 34.8 | Very low | 30.8 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | trans | -71 | 87.7 | 164.4 | -58.3 | 173.3 | 0 | 0 | 0 | 104.7 | V68 P72 | V68-I70 HydrophobicContact CG1-CG1 4.35Å; V68-I70 PolarHBondContact O-N 2.84Å; I70-P72 WeakPolarHBondContact O-CD 3.36Å; I70-P72 VanDerWaalsContact O-N 3.12Å | ||
| 71 | S | 27.7 | Very low | 32.4 | Very low | 79 Ų | 79 | 115.9 Ų | 115.9 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -53 | 119.7 | 162.6 | -50.7 | 0 | 0 | 0 | 0 | 106.5 | D69 L73 | D69-S71 PolarHBondContact O-N 3.18Å; S71-L73 PolarHBondContact O-N 3.45Å |
| 72 | P | 29.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.7 | 170.9 | 26 | -31.3 | 0 | 0 | 0 | 105.5 | I70 | I70-P72 WeakPolarHBondContact O-CD 3.36Å; I70-P72 VanDerWaalsContact O-N 3.12Å |
| 73 | L | 28.9 | Very low | 35.7 | Very low | 145 Ų | 145 | 113.4 Ų | 113.4 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 139 | 166.1 | -92.1 | 84.2 | 0 | 0 | 0 | 107 | S71 D75 | S71-L73 PolarHBondContact O-N 3.45Å; L73-D75 PolarHBondContact O-N 2.83Å |
| 74 | P | 28.2 | Very low | 37.6 | Very low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 117.6 | 169.9 | 22.6 | -29.9 | 0 | 0 | 0 | 108.1 | N76 | P74-N76 PolarHBondContact O-N 2.95Š|
| 75 | D | 32.8 | Very low | 40.1 | Very low | 162 Ų | 162 | 108 Ų | 108 | 87% | 0.866 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -65 | 54.4 | 171.2 | -77.7 | -31.9 | 0 | 0 | 0 | 110.8 | L73 | L73-D75 PolarHBondContact O-N 2.83Š|
| 76 | N | 35.1 | Very low | 42.8 | Very low | 139 Ų | 139 | 108.9 Ų | 108.9 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -142.9 | 51.7 | -172 | -132.4 | 9.8 | 0 | 0 | 0 | 111.8 | P74 | P74-N76 PolarHBondContact O-N 2.95Š| ||
| 77 | M | 29 | Very low | 45.5 | Very low | 127 Ų | 127 | 104.8 Ų | 104.8 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | trans | -131.3 | 35.5 | 159.4 | -147.9 | 167.6 | 79.9 | 0 | 0 | 112.8 | R79 | M77-R79 HydrophobicContact CG-CG 4.25Å; M77-R79 PolarHBondContact O-N 3.33Å | ||
| 78 | T | 32.7 | Very low | 48.8 | Very low | 98 Ų | 98 | 101.9 Ų | 101.9 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | trans | -69.2 | 90.8 | 147.5 | 38.8 | 0 | 0 | 0 | 0 | 106.7 | T80 | T78-T80 VanDerWaalsContact C-N 3.3Å; T78-T80 PolarHBondContact O-N 3Å | ||
| 79 | R | 35.7 | Very low | 51.7 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | trans | -67.6 | 96.7 | 169.9 | -83.2 | -175.6 | 174.5 | 173.5 | -1.8 | 107.5 | M77 V81 A463 | M77-R79 HydrophobicContact CG-CG 4.25Å; M77-R79 PolarHBondContact O-N 3.33Å; R79-V81 PolarHBondContact O-N 2.71Å; R79-A463 WeakPolarHBondContact O-CB 3.16Å | ||
| 80 | T | 45.7 | Very low | 55 | Low | 91 Ų | 91 | 95.4 Ų | 95.4 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | trans | -54 | 119.5 | 170.2 | -45.5 | 0 | 0 | 0 | 0 | 108.6 | T78 E82 | T78-T80 VanDerWaalsContact C-N 3.3Å; T78-T80 PolarHBondContact O-N 3Å; T80-E82 PolarHBondContact O-N 2.83Å | ||
| 81 | V | 59.5 | Low | 57.8 | Low | 15 Ų | 15 | 93.7 Ų | 93.7 | 9% | 0.091 | 50% | 0.497 | C | S | . | . | trans | -68.6 | 113.6 | 170.3 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | R79 E275 A463 | R79-V81 PolarHBondContact O-N 2.71Å; V81-E275 HydrophobicContact CG2-CG 4.31Å; V81-A463 HydrophobicContact CG2-CB 3.67Å | ||
| 82 | E | 56.7 | Low | 61 | Low | 167 Ų | 167 | 92 Ų | 92 | 78% | 0.78 | 49% | 0.485 | S | S | * | . | trans | -71.7 | 143.2 | -179.2 | -71.5 | -178.1 | 165.3 | 0 | 0 | 111.1 | T80 S84 | T80-E82 PolarHBondContact O-N 2.83Å; E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.45Å | ||
| 83 | D | 68.7 | Low | 64.1 | Low | 53 Ų | 53 | 87.6 Ų | 87.6 | 28% | 0.283 | 45% | 0.454 | S | S | . | . | trans | -66.3 | 89.3 | 172 | -179.3 | 7.6 | 0 | 0 | 0 | 109.5 | Q85 | D83-Q85 PolarHBondContact O-N 2.76Å; D83-Q85 PolarHBondContact OD1-N 3.39Å; D83-Q85 VanDerWaalsContact OD1-N 3.09Å | ||
| 84 | S | 68.1 | Low | 67.2 | Low | 74 Ų | 74 | 81.7 Ų | 81.7 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | trans | -73.9 | 1.3 | -179.6 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | E82 K86 H277 | E82-S84 VanDerWaalsContact C-N 3.29Å; E82-S84 PolarHBondContact O-N 3.45Å; S84-K86 PolarHBondContact O-N 3.02Å; S84-K86 VanDerWaalsContact OG-CB 3.26Å; S84-K86 WeakPolarHBondContact OG-CB 3.44Å; S84-H277 PolarHBondContact OG-CD2 2.83Å; S84-H277 VanDerWaalsContact OG-CD2 3.24Å; S84-H277 PolarHBondContact OG-NE2 3.09Å | ||
| 85 | Q | 81.1 | Confident | 70.2 | Confident | 117 Ų | 117 | 80.1 Ų | 80.1 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 47.8 | 33.9 | -173.4 | -61.4 | -176 | -22.3 | 0 | 0 | 112.5 | D83 L297 | D83-Q85 PolarHBondContact O-N 2.76Å; D83-Q85 PolarHBondContact OD1-N 3.39Å; D83-Q85 VanDerWaalsContact OD1-N 3.09Å; Q85-L297 WeakPolarHBondContact O-CD1 3.29Å |
| 86 | K | 85.8 | Confident | 73 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 39% | 0.391 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -86.4 | -35.9 | -171.9 | -177.8 | 179.6 | 175 | -160 | 0 | 112.5 | S84 D329 | S84-K86 PolarHBondContact O-N 3.02Å; S84-K86 VanDerWaalsContact OG-CB 3.26Å; S84-K86 WeakPolarHBondContact OG-CB 3.44Å; K86-D329 VanDerWaalsContact CE-OD2 3.3Å; K86-D329 WeakPolarHBondContact CE-OD2 3.46Å; K86-D329 IonicContact NZ-OD2 2.74Å; K86-D329 PolarHBondContact NZ-OD2 2.88Å |
| 87 | Y | 91.8 | Very high | 75.7 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 4% | 0.039 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -111 | -29.3 | -175 | -60.9 | -91.6 | 0 | 0 | 0 | 113.1 | Y140 Y276 H277 L297 T299 I331 | Y87-Y140 AromaticContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CD1 3.47Å; Y87-Y140 VanDerWaalsContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CE1 4.19Å; Y87-Y140 HydrophobicContact CD1-CG 4.3Å; Y87-Y140 AromaticContact CD2-CD1 3.7Å; Y87-Y140 HydrophobicContact CD2-CD1 3.7Å; Y87-Y140 AromaticContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CE1-CD1 4.1Å; Y87-Y140 HydrophobicContact CE2-CD1 4.29Å; Y87-Y140 HydrophobicContact CE2-CE1 4.38Å; Y87-Y140 AromaticContact CG-CD1 3.27Å; Y87-Y140 HydrophobicContact CG-CD1 3.27Å; Y87-Y140 AromaticContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CG 4.34Å; Y87-Y276 HydrophobicContact CE1-CE2 4.34Å; Y87-Y276 HydrophobicContact CE2-CD2 4.24Å; Y87-Y276 AromaticContact CE2-CE2 3.98Å; Y87-Y276 HydrophobicContact CE2-CE2 3.98Å; Y87-Y276 AromaticContact CZ-CE2 3.79Å; Y87-H277 HydrophobicContact CD2-CB 3.91Å; Y87-H277 AromaticContact CD2-CD2 3.51Å; Y87-H277 AromaticContact CD2-CG 3.5Å; Y87-H277 AromaticContact CD2-ND1 3.88Å; Y87-H277 AromaticContact CD2-NE2 3.84Å; Y87-H277 HydrophobicContact CE2-CB 3.9Å; Y87-H277 AromaticContact CE2-CD2 3.85Å; Y87-H277 AromaticContact CE2-CG 3.91Å; Y87-L297 PolarHBondContact O-N 2.54Å; Y87-T299 HydrophobicContact CD1-CG2 3.76Å; Y87-T299 HydrophobicContact CE1-CG2 4.24Å; Y87-I331 PolarHBondContact OH-O 2.82Å |
| 88 | Y | 94.7 | Very high | 78.6 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.3 | 179.1 | -71.3 | -90.8 | 0 | 0 | 0 | 110.1 | P138 F139 Y140 I227 L252 F294 S295 P296 | Y88-P138 PolarHBondContact OH-O 2.93Å; Y88-F139 HydrophobicContact CE2-CD2 4.48Å; Y88-F139 WeakPolarHBondContact OH-CD2 3.41Å; Y88-Y140 HydrophobicContact CD2-CD2 4.49Å; Y88-Y140 HydrophobicContact CD2-CE2 4.1Å; Y88-Y140 AromaticContact CE2-CD2 3.71Å; Y88-Y140 HydrophobicContact CE2-CD2 3.71Å; Y88-Y140 AromaticContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CG 4.23Å; Y88-I227 HydrophobicContact CE1-CD1 4.12Å; Y88-L252 HydrophobicContact CD1-CD1 4.06Å; Y88-L252 HydrophobicContact CD2-CD1 3.81Å; Y88-L252 HydrophobicContact CE1-CD1 4.36Å; Y88-L252 HydrophobicContact CE2-CD1 4.12Å; Y88-L252 HydrophobicContact CG-CD1 3.78Å; Y88-F294 HydrophobicContact CD1-CB 4.06Å; Y88-S295 WeakPolarHBondContact CA-O 3.04Å; Y88-P296 HydrophobicContact CD1-CB 4.22Å; Y88-P296 HydrophobicContact CE1-CB 3.82Å |
| 89 | I | 94.5 | Very high | 81.4 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 156.4 | 161.4 | 60.3 | 175.9 | 0 | 0 | 0 | 108.5 | F294 S295 L297 | I89-F294 CarbonylContact O-C 3.44Å; I89-F294 VanDerWaalsContact O-CA 3.28Å; I89-F294 WeakPolarHBondContact O-CA 3.38Å; I89-S295 PolarHBondContact N-O 2.81Å; I89-S295 PolarHBondContact O-N 2.92Å; I89-L297 HydrophobicContact CG2-CD1 3.95Å; I89-L297 HydrophobicContact CG2-CD2 4.16Å; I89-L297 HydrophobicContact CG2-CG 4.23Å |
| 90 | W | 94.2 | Very high | 84 | Confident | 63 Ų | 63 | 75 Ų | 75 | 24% | 0.239 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149 | 179.7 | 65.1 | -93.5 | 0 | 0 | 0 | 113.3 | I281 F292 E293 F294 | W90-I281 HydrophobicContact CD2-CG2 4.06Å; W90-I281 HydrophobicContact CE3-CG2 4.44Å; W90-I281 HydrophobicContact CG-CG2 4.31Å; W90-F292 AromaticContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CE1 4.45Å; W90-F292 HydrophobicContact CZ3-CD1 4.08Å; W90-F292 HydrophobicContact CZ3-CE1 4.08Å; W90-E293 CarbonylContact C-O 3.55Å; W90-E293 WeakPolarHBondContact CA-O 3.4Å; W90-F294 HydrophobicContact CB-CD1 3.59Å; W90-F294 HydrophobicContact CB-CE1 3.78Å; W90-F294 HydrophobicContact CB-CG 4.19Å; W90-F294 HydrophobicContact CG-CD1 4.37Å; W90-F294 HydrophobicContact CG-CE1 4.19Å |
| 91 | E | 94.1 | Very high | 86.1 | Confident | 107 Ų | 107 | 78.1 Ų | 78.1 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146.2 | 171.8 | -62.3 | -168 | 123.9 | 0 | 0 | 109.7 | F93 F292 E293 | E91-F93 HydrophobicContact CB-CE1 4.48Å; E91-F93 HydrophobicContact CB-CE2 4.21Å; E91-F93 HydrophobicContact CB-CZ 3.84Å; E91-F292 VanDerWaalsContact O-CA 3.29Å; E91-F292 WeakPolarHBondContact O-CA 3.06Å; E91-E293 PolarHBondContact N-O 3.01Å; E91-E293 PolarHBondContact O-N 3.47Å |
| 92 | S | 94.3 | Very high | 87.6 | Confident | 43 Ų | 43 | 84.4 Ų | 84.4 | 30% | 0.301 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.9 | 175.1 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 93 | F | 95.5 | Very high | 89.4 | Confident | 19 Ų | 19 | 77.7 Ų | 77.7 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.6 | 177 | -52 | -71.9 | 0 | 0 | 0 | 109.9 | E91 D97 K99 T100 L103 S290 A291 E293 | E91-F93 HydrophobicContact CB-CE1 4.48Å; E91-F93 HydrophobicContact CB-CE2 4.21Å; E91-F93 HydrophobicContact CB-CZ 3.84Å; F93-D97 HydrophobicContact CB-CB 4.17Å; F93-K99 HydrophobicContact CD1-CB 4.08Å; F93-K99 HydrophobicContact CD1-CD 3.91Å; F93-K99 HydrophobicContact CE1-CB 4.38Å; F93-K99 HydrophobicContact CE1-CD 3.42Å; F93-K99 VanDerWaalsContact CE1-CD 3.42Å; F93-K99 HydrophobicContact CG-CB 4.33Å; F93-K99 HydrophobicContact CZ-CD 3.89Å; F93-T100 WeakPolarHBondContact CB-OG1 3.46Å; F93-L103 HydrophobicContact CD2-CD1 3.55Å; F93-L103 HydrophobicContact CE2-CD1 3.78Å; F93-L103 HydrophobicContact CG-CD1 4.41Å; F93-S290 WeakPolarHBondContact O-CA 3.43Å; F93-S290 WeakPolarHBondContact O-CB 3.5Å; F93-A291 HydrophobicContact CB-CB 4.38Å; F93-A291 HydrophobicContact CD2-CB 4.42Å; F93-A291 PolarHBondContact N-O 2.64Å; F93-A291 PolarHBondContact O-N 2.91Å; F93-E293 HydrophobicContact CE2-CB 3.81Å |
| 94 | G | 92.8 | Very high | 90.6 | Very high | 21 Ų | 21 | 77.8 Ų | 77.8 | 22% | 0.216 | 39% | 0.39 | C | S | . | . | trans | -89.9 | -179.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T96 D97 T100 G289 | G94-T96 PolarHBondContact O-N 2.81Å; G94-D97 PolarHBondContact N-OD2 2.8Å; G94-D97 WeakPolarHBondContact O-CB 3.47Å; G94-D97 PolarHBondContact O-N 3.28Å; G94-D97 VanDerWaalsContact O-N 3.15Å; G94-T100 PolarHBondContact O-OG1 2.7Å; G94-G289 CarbonylContact C-O 3.43Å | ||
| 95 | P | 91.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 75.8 Ų | 75.8 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.9 | 179.2 | -22.9 | 34.8 | 0 | 0 | 0 | 115.2 | V287 S288 G289 | P95-V287 HydrophobicContact CG-CG2 3.66Å; P95-S288 WeakPolarHBondContact CG-O 3.3Å; P95-G289 WeakPolarHBondContact CA-O 3.37Å |
| 96 | T | 90.9 | Very high | 92.3 | Very high | 135 Ų | 135 | 73 Ų | 73 | 83% | 0.828 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.9 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | G94 | G94-T96 PolarHBondContact O-N 2.81Š|
| 97 | D | 91.9 | Very high | 92.4 | Very high | 71 Ų | 71 | 69 Ų | 69 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | trans | -80.6 | 124.2 | -177.7 | -73.8 | -53.2 | 0 | 0 | 0 | 110.8 | F93 G94 K99 T100 | F93-D97 HydrophobicContact CB-CB 4.17Å; G94-D97 PolarHBondContact N-OD2 2.8Å; G94-D97 WeakPolarHBondContact O-CB 3.47Å; G94-D97 PolarHBondContact O-N 3.28Å; G94-D97 VanDerWaalsContact O-N 3.15Å; D97-K99 PolarHBondContact O-N 3.47Å; D97-K99 VanDerWaalsContact O-N 3.14Å; D97-T100 WeakPolarHBondContact O-CB 3.42Å; D97-T100 PolarHBondContact O-N 3.36Å; D97-T100 PolarHBondContact O-OG1 2.8Å | ||
| 98 | R | 90.3 | Very high | 92 | Very high | 219 Ų | 219 | 73.3 Ų | 73.3 | 83% | 0.826 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.9 | -27.3 | 175.5 | -68.4 | -177.3 | 174.2 | -177.1 | -2.2 | 112.8 | T100 | R98-T100 VanDerWaalsContact C-N 3.28Å; R98-T100 PolarHBondContact O-N 3.41Å |
| 99 | K | 90.6 | Very high | 91 | Very high | 109 Ų | 109 | 79.7 Ų | 79.7 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 176.5 | -79.3 | -171.9 | 172.2 | -169.2 | 0 | 111.9 | F93 D97 E101 L102 L103 | F93-K99 HydrophobicContact CD1-CB 4.08Å; F93-K99 HydrophobicContact CD1-CD 3.91Å; F93-K99 HydrophobicContact CE1-CB 4.38Å; F93-K99 HydrophobicContact CE1-CD 3.42Å; F93-K99 VanDerWaalsContact CE1-CD 3.42Å; F93-K99 HydrophobicContact CG-CB 4.33Å; F93-K99 HydrophobicContact CZ-CD 3.89Å; D97-K99 PolarHBondContact O-N 3.47Å; D97-K99 VanDerWaalsContact O-N 3.14Å; K99-E101 VanDerWaalsContact C-N 3.31Å; K99-E101 PolarHBondContact O-N 2.98Å; K99-L102 WeakPolarHBondContact O-CB 3.47Å; K99-L102 PolarHBondContact O-N 2.8Å; K99-L103 VanDerWaalsContact O-CG 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 3.09Å |
| 100 | T | 91.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 78.8 Ų | 78.8 | 9% | 0.086 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | -178.1 | -51.9 | 0 | 0 | 0 | 0 | 112 | F93 G94 D97 R98 L102 L103 W104 G289 A291 | F93-T100 WeakPolarHBondContact CB-OG1 3.46Å; G94-T100 PolarHBondContact O-OG1 2.7Å; D97-T100 WeakPolarHBondContact O-CB 3.42Å; D97-T100 PolarHBondContact O-N 3.36Å; D97-T100 PolarHBondContact O-OG1 2.8Å; R98-T100 VanDerWaalsContact C-N 3.28Å; R98-T100 PolarHBondContact O-N 3.41Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-L102 PolarHBondContact O-N 3.49Å; T100-L103 PolarHBondContact O-N 2.61Å; T100-W104 PolarHBondContact O-N 2.8Å; T100-G289 WeakPolarHBondContact CG2-O 3.46Å; T100-A291 HydrophobicContact CG2-CB 3.77Å |
| 101 | E | 89.3 | Confident | 88.6 | Confident | 157 Ų | 157 | 82.8 Ų | 82.8 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.3 | -34.1 | 176.7 | -65.5 | -178.6 | 167.5 | 0 | 0 | 112.4 | K99 W104 | K99-E101 VanDerWaalsContact C-N 3.31Å; K99-E101 PolarHBondContact O-N 2.98Å; E101-W104 PolarHBondContact O-N 2.93Å |
| 102 | L | 91.9 | Very high | 87 | Confident | 146 Ų | 146 | 87.3 Ų | 87.3 | 76% | 0.764 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.6 | -29.4 | 178.7 | -65.2 | 172.2 | 0 | 0 | 0 | 112.8 | K99 T100 W104 | K99-L102 WeakPolarHBondContact O-CB 3.47Å; K99-L102 PolarHBondContact O-N 2.8Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-L102 PolarHBondContact O-N 3.49Å; L102-W104 VanDerWaalsContact C-N 3.31Å |
| 103 | L | 93.8 | Very high | 85.4 | Confident | 27 Ų | 27 | 90.2 Ų | 90.2 | 14% | 0.141 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -78 | -16.7 | 178.9 | -68.9 | 170.1 | 0 | 0 | 0 | 112.5 | F93 K99 T100 I228 N230 A291 | F93-L103 HydrophobicContact CD2-CD1 3.55Å; F93-L103 HydrophobicContact CE2-CD1 3.78Å; F93-L103 HydrophobicContact CG-CD1 4.41Å; K99-L103 VanDerWaalsContact O-CG 3.3Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 3.09Å; T100-L103 PolarHBondContact O-N 2.61Å; L103-I228 HydrophobicContact CB-CG2 4.05Å; L103-I228 HydrophobicContact CD1-CG2 4.46Å; L103-I228 HydrophobicContact CD2-CD1 3.72Å; L103-I228 HydrophobicContact CD2-CG1 4.31Å; L103-I228 HydrophobicContact CD2-CG2 4.21Å; L103-I228 HydrophobicContact CG-CG2 4.47Å; L103-N230 WeakPolarHBondContact CB-OD1 3.47Å; L103-N230 PolarHBondContact O-ND2 2.8Å; L103-A291 HydrophobicContact CD1-CB 3.93Å |
| 104 | W | 94.5 | Very high | 84.4 | Confident | 55 Ų | 55 | 93.5 Ų | 93.5 | 21% | 0.208 | 48% | 0.475 | C | S | . | . | trans | -77.3 | 130.1 | 178.1 | -178.3 | -91.7 | 0 | 0 | 0 | 112 | T100 E101 L102 T216 Q218 N230 K232 | T100-W104 PolarHBondContact O-N 2.8Å; E101-W104 PolarHBondContact O-N 2.93Å; L102-W104 VanDerWaalsContact C-N 3.31Å; W104-T216 HydrophobicContact CH2-CG2 4.15Å; W104-Q218 HydrophobicContact CE3-CG 4.42Å; W104-Q218 HydrophobicContact CH2-CG 3.61Å; W104-Q218 HydrophobicContact CZ2-CG 4.25Å; W104-Q218 HydrophobicContact CZ3-CB 4.26Å; W104-Q218 HydrophobicContact CZ3-CG 3.7Å; W104-N230 HydrophobicContact CE3-CB 3.65Å; W104-N230 HydrophobicContact CZ3-CB 3.97Å; W104-K232 HydrophobicContact CE3-CB 4.38Å; W104-K232 HydrophobicContact CH2-CB 3.68Å; W104-K232 HydrophobicContact CH2-CD 3.85Å; W104-K232 HydrophobicContact CH2-CG 4.41Å; W104-K232 HydrophobicContact CZ2-CB 4.38Å; W104-K232 HydrophobicContact CZ2-CD 3.71Å; W104-K232 HydrophobicContact CZ3-CB 3.68Å; W104-K232 HydrophobicContact CZ3-CD 4.47Å | ||
| 105 | V | 93.2 | Very high | 84.1 | Confident | 31 Ų | 31 | 93.6 Ų | 93.6 | 19% | 0.188 | 47% | 0.471 | C | S | . | . | trans | -101 | 114 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | L107 L110 M191 L196 V198 Q218 | V105-L107 HydrophobicContact CG1-CD2 4.1Å; V105-L107 PolarHBondContact O-N 2.91Å; V105-L107 VanDerWaalsContact O-N 3.12Å; V105-L110 HydrophobicContact CG1-CD1 4.49Å; V105-M191 HydrophobicContact CG1-CE 3.71Å; V105-L196 HydrophobicContact CG2-CD2 4.29Å; V105-V198 HydrophobicContact CB-CG1 4.38Å; V105-V198 HydrophobicContact CB-CG2 4.17Å; V105-V198 HydrophobicContact CG1-CG2 4.17Å; V105-V198 HydrophobicContact CG2-CG2 4.02Å; V105-Q218 PolarHBondContact O-NE2 3.05Å; V105-Q218 PolarHBondContact O-OE1 3.45Å | ||
| 106 | D | 90.6 | Very high | 83.9 | Confident | 59 Ų | 59 | 97.6 Ų | 97.6 | 32% | 0.316 | 48% | 0.476 | S | S | . | . | trans | -79.4 | 97.5 | 178.4 | -167.2 | -4.9 | 0 | 0 | 0 | 112.1 | N108 N109 | D106-N108 PolarHBondContact O-N 3.06Å; D106-N108 WeakPolarHBondContact OD1-CB 3.41Å; D106-N108 PolarHBondContact OD1-N 3.25Å; D106-N108 PolarHBondContact OD1-ND2 2.96Å; D106-N109 PolarHBondContact O-N 3.18Å; D106-N109 PolarHBondContact OD2-ND2 3.11Å | ||
| 107 | L | 88.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 96.5 Ų | 96.5 | 3% | 0.026 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.9 | 176.5 | -58.7 | -175.6 | 0 | 0 | 0 | 113.9 | V105 L110 V115 R189 M191 V198 Q200 | V105-L107 HydrophobicContact CG1-CD2 4.1Å; V105-L107 PolarHBondContact O-N 2.91Å; V105-L107 VanDerWaalsContact O-N 3.12Å; L107-L110 HydrophobicContact CD2-CD1 4Å; L107-V115 HydrophobicContact CB-CG1 4.28Å; L107-V115 HydrophobicContact CB-CG2 4.24Å; L107-V115 HydrophobicContact CD1-CG1 4.48Å; L107-V115 HydrophobicContact CD2-CG2 4.32Å; L107-R189 HydrophobicContact CD1-CG 4.06Å; L107-M191 HydrophobicContact CD2-CB 3.81Å; L107-M191 HydrophobicContact CD2-CE 3.7Å; L107-M191 HydrophobicContact CD2-CG 4.48Å; L107-V198 HydrophobicContact CD2-CB 4.49Å; L107-V198 HydrophobicContact CD2-CG1 4.48Å; L107-Q200 HydrophobicContact CD1-CB 3.75Å |
| 108 | N | 83 | Confident | 83.7 | Confident | 101 Ų | 101 | 93.8 Ų | 93.8 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.9 | 178.7 | -53 | -59.6 | 0 | 0 | 0 | 112.8 | D106 R189 | D106-N108 PolarHBondContact O-N 3.06Å; D106-N108 WeakPolarHBondContact OD1-CB 3.41Å; D106-N108 PolarHBondContact OD1-N 3.25Å; D106-N108 PolarHBondContact OD1-ND2 2.96Å; N108-R189 PolarHBondContact OD1-NH1 2.95Å |
| 109 | N | 73.6 | Confident | 83.5 | Confident | 137 Ų | 137 | 85.6 Ų | 85.6 | 73% | 0.733 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -87.5 | -10.4 | -178.2 | -74.2 | -25.4 | 0 | 0 | 0 | 113.4 | D106 | D106-N109 PolarHBondContact O-N 3.18Å; D106-N109 PolarHBondContact OD2-ND2 3.11Å |
| 110 | L | 72.6 | Confident | 83.3 | Confident | 54 Ų | 54 | 83.4 Ų | 83.4 | 28% | 0.283 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -77.6 | 151.5 | 176.6 | -67.9 | 168.2 | 0 | 0 | 0 | 110.8 | V105 L107 K112 V115 M191 | V105-L110 HydrophobicContact CG1-CD1 4.49Å; L107-L110 HydrophobicContact CD2-CD1 4Å; L110-K112 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact O-N 3.15Å; L110-V115 HydrophobicContact CB-CG2 4.1Å; L110-V115 HydrophobicContact CD1-CG2 4.37Å; L110-M191 HydrophobicContact CD1-CE 3.25Å; L110-M191 HydrophobicContact CD1-CG 4.19Å; L110-M191 HydrophobicContact CD1-SD 4.1Å |
| 111 | H | 66.3 | Low | 83.3 | Confident | 147 Ų | 147 | 82.7 Ų | 82.7 | 68% | 0.681 | 42% | 0.421 | S | S | * | . | trans | -52.9 | 125.9 | 174 | -81.6 | -82.5 | 0 | 0 | 0 | 109.3 | S113 Q114 | H111-S113 PolarHBondContact O-N 3.32Å; H111-Q114 PolarHBondContact O-N 3.45Å | ||
| 112 | K | 59.8 | Low | 83.4 | Confident | 202 Ų | 202 | 75.5 Ų | 75.5 | 88% | 0.878 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -19.2 | -177.1 | -72.1 | -177 | 177.8 | 180 | 0 | 114.3 | L110 | L110-K112 PolarHBondContact O-N 3.18Å; L110-K112 VanDerWaalsContact O-N 3.15Å |
| 113 | S | 60.5 | Low | 83.2 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.5 | 176.2 | 54 | 0 | 0 | 0 | 0 | 114.7 | H111 | H111-S113 PolarHBondContact O-N 3.32Š|
| 114 | Q | 75.1 | Confident | 82.9 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -24.7 | -178.7 | -69.4 | 176.9 | -19.8 | 0 | 0 | 113 | H111 M191 | H111-Q114 PolarHBondContact O-N 3.45Å; Q114-M191 HydrophobicContact CB-CG 4.3Å |
| 115 | V | 86.1 | Confident | 82.7 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.8 | -179.2 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L107 L110 R189 M191 | L107-V115 HydrophobicContact CB-CG1 4.28Å; L107-V115 HydrophobicContact CB-CG2 4.24Å; L107-V115 HydrophobicContact CD1-CG1 4.48Å; L107-V115 HydrophobicContact CD2-CG2 4.32Å; L110-V115 HydrophobicContact CB-CG2 4.1Å; L110-V115 HydrophobicContact CD1-CG2 4.37Å; V115-R189 HydrophobicContact CG1-CB 4.27Å; V115-M191 HydrophobicContact CG2-CB 4.22Å; V115-M191 HydrophobicContact CG2-CG 4.25Å |
| 116 | R | 88.8 | Confident | 82.3 | Confident | 166 Ų | 166 | 73.5 Ų | 73.5 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 123.7 | 177.8 | -62.8 | -173.9 | -179.5 | -170.8 | 1 | 109.6 | R189 Y190 | R116-R189 CarbonylContact O-C 3.57Å; R116-R189 VanDerWaalsContact O-CA 3.24Å; R116-R189 WeakPolarHBondContact O-CA 3.19Å; R116-Y190 HydrophobicContact CB-CD2 4.28Å; R116-Y190 HydrophobicContact CB-CE2 3.82Å; R116-Y190 HydrophobicContact CG-CE2 4.33Å; R116-Y190 PolarHBondContact N-O 2.91Å; R116-Y190 PolarHBondContact O-N 2.84Å |
| 117 | I | 89 | Confident | 82.2 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 57% | 0.569 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.2 | 169.9 | -57.6 | 174.9 | 0 | 0 | 0 | 107.3 | G119 T187 R189 | I117-G119 PolarHBondContact O-N 2.82Å; I117-T187 HydrophobicContact CG2-CG2 4.37Å; I117-R189 HydrophobicContact CG1-CB 4.1Å |
| 118 | H | 88.4 | Confident | 82.3 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.065 | 37% | 0.37 | C | S | . | . | trans | -85.6 | 112.4 | -177.8 | -165.2 | -60 | 0 | 0 | 0 | 110.5 | I120 L121 S122 A129 V188 Y190 | H118-I120 PolarHBondContact ND1-N 3.02Å; H118-I120 PolarHBondContact O-N 2.92Å; H118-L121 HydrophobicContact CB-CB 4.03Å; H118-L121 HydrophobicContact CB-CD1 4.06Å; H118-L121 HydrophobicContact CB-CG 4.18Å; H118-L121 PolarHBondContact ND1-N 3.13Å; H118-S122 VanDerWaalsContact O-CB 3.25Å; H118-S122 WeakPolarHBondContact O-CB 3.37Å; H118-S122 PolarHBondContact O-N 2.77Å; H118-S122 PolarHBondContact O-OG 2.96Å; H118-A129 WeakPolarHBondContact NE2-CB 3.37Å; H118-V188 PolarHBondContact N-O 2.9Å; H118-Y190 HydrophobicContact CB-CE1 4.09Å | ||
| 119 | G | 87.2 | Confident | 82.7 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 49% | 0.485 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.8 | -50.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I117 S122 N123 | I117-G119 PolarHBondContact O-N 2.82Å; G119-S122 PolarHBondContact O-N 3.16Å; G119-N123 PolarHBondContact O-ND2 3.02Å |
| 120 | I | 86.8 | Confident | 83.6 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 32% | 0.323 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -59.9 | -179 | -58.8 | 168.6 | 0 | 0 | 0 | 110.1 | H118 S122 N123 T124 Q127 A478 | H118-I120 PolarHBondContact ND1-N 3.02Å; H118-I120 PolarHBondContact O-N 2.92Å; I120-S122 PolarHBondContact O-N 3Å; I120-N123 PolarHBondContact O-N 3.1Å; I120-T124 HydrophobicContact CG2-CG2 3.95Å; I120-T124 PolarHBondContact O-N 3.18Å; I120-T124 PolarHBondContact O-OG1 2.95Å; I120-Q127 HydrophobicContact CG2-CB 4.3Å; I120-Q127 HydrophobicContact CG2-CG 4.05Å; I120-A478 HydrophobicContact CB-CB 4.15Å; I120-A478 HydrophobicContact CD1-CB 3.81Å; I120-A478 HydrophobicContact CG2-CB 3.73Å |
| 121 | L | 89.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53 | -27.6 | 178.8 | -58.2 | -178 | 0 | 0 | 0 | 114.7 | H118 N123 Q127 A129 V149 T151 P180 V188 | H118-L121 HydrophobicContact CB-CB 4.03Å; H118-L121 HydrophobicContact CB-CD1 4.06Å; H118-L121 HydrophobicContact CB-CG 4.18Å; H118-L121 PolarHBondContact ND1-N 3.13Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-Q127 HydrophobicContact CD2-CB 3.95Å; L121-A129 HydrophobicContact CD1-CB 3.8Å; L121-A129 HydrophobicContact CD2-CB 4.13Å; L121-A129 HydrophobicContact CG-CB 4.03Å; L121-V149 HydrophobicContact CD1-CB 4.18Å; L121-V149 HydrophobicContact CD1-CG1 4Å; L121-T151 HydrophobicContact CB-CG2 3.94Å; L121-T151 HydrophobicContact CD2-CG2 3.68Å; L121-T151 HydrophobicContact CG-CG2 4.41Å; L121-T151 VanDerWaalsContact O-CG2 3.3Å; L121-T151 WeakPolarHBondContact O-CG2 3.32Å; L121-P180 WeakPolarHBondContact O-CB 3.3Å; L121-P180 VanDerWaalsContact O-CG 3.28Å; L121-P180 WeakPolarHBondContact O-CG 3.28Å; L121-V188 HydrophobicContact CB-CB 3.87Å; L121-V188 HydrophobicContact CB-CG1 4.16Å; L121-V188 HydrophobicContact CB-CG2 4.15Å; L121-V188 HydrophobicContact CD1-CG1 4.06Å; L121-V188 WeakPolarHBondContact O-CG2 3.33Å |
| 122 | S | 92.2 | Very high | 85.9 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79.4 | -13.4 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 114.1 | H118 G119 I120 P180 V188 | H118-S122 VanDerWaalsContact O-CB 3.25Å; H118-S122 WeakPolarHBondContact O-CB 3.37Å; H118-S122 PolarHBondContact O-N 2.77Å; H118-S122 PolarHBondContact O-OG 2.96Å; G119-S122 PolarHBondContact O-N 3.16Å; I120-S122 PolarHBondContact O-N 3Å; S122-P180 VanDerWaalsContact O-CB 3.29Å; S122-P180 WeakPolarHBondContact O-CB 3.3Å; S122-V188 PolarHBondContact OG-N 3.48Å; S122-V188 PolarHBondContact OG-O 2.99Å |
| 123 | N | 88.6 | Confident | 87.6 | Confident | 99 Ų | 99 | 50.6 Ų | 50.6 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -128.7 | 3.3 | -170.9 | -66.2 | -68.7 | 0 | 0 | 0 | 114.6 | G119 I120 L121 S181 | G119-N123 PolarHBondContact O-ND2 3.02Å; I120-N123 PolarHBondContact O-N 3.1Å; L121-N123 VanDerWaalsContact C-N 3.35Å; N123-S181 WeakPolarHBondContact O-CB 3.27Å |
| 124 | T | 87.7 | Confident | 89.3 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | trans | -133.9 | 150.6 | -171.9 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | I120 Q127 T151 | I120-T124 HydrophobicContact CG2-CG2 3.95Å; I120-T124 PolarHBondContact O-N 3.18Å; I120-T124 PolarHBondContact O-OG1 2.95Å; T124-Q127 HydrophobicContact CG2-CG 4.29Å; T124-Q127 WeakPolarHBondContact OG1-CB 3.32Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.01Å; T124-T151 WeakPolarHBondContact O-CG2 3.36Å | ||
| 125 | H | 88.4 | Confident | 90.4 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -87.4 | 147.6 | 171.2 | -171.4 | -130 | 0 | 0 | 0 | 111.9 | Q127 N177 D179 | H125-Q127 PolarHBondContact O-N 3.11Å; H125-N177 PolarHBondContact CE1-OD1 2.83Å; H125-N177 PolarHBondContact NE2-OD1 2.97Å; H125-D179 HydrophobicContact CB-CB 4.43Å; H125-D179 WeakPolarHBondContact CB-OD2 3.44Å; H125-D179 IonicContact CD2-OD2 2.7Å; H125-D179 IonicContact CG-OD2 2.88Å |
| 126 | R | 85.8 | Confident | 90.8 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 50 | 41.5 | 174.2 | -71.8 | 172.8 | 174.7 | 170.5 | -5.6 | 114.2 | T151 E245 E473 F475 I476 | R126-T151 PolarHBondContact N-OG1 3.41Å; R126-E245 PolarHBondContact NH2-O 3.21Å; R126-E473 IonicContact NH1-OE2 3.81Å; R126-E473 PolarHBondContact NH1-OE2 3.3Å; R126-F475 VanDerWaalsContact C-CD1 3.43Å; R126-F475 HydrophobicContact CB-CD1 4.32Å; R126-F475 HydrophobicContact CB-CE1 4.4Å; R126-F475 HydrophobicContact CG-CE1 4.48Å; R126-F475 HydrophobicContact CG-CZ 4.47Å; R126-F475 WeakPolarHBondContact O-CA 3.33Å; R126-I476 PolarHBondContact O-N 3.39Å |
| 127 | Q | 88.8 | Confident | 91.2 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 152.5 | 172.5 | -67 | -62.6 | -37.2 | 0 | 0 | 110.5 | I120 L121 T124 H125 A150 T151 I476 | I120-Q127 HydrophobicContact CG2-CB 4.3Å; I120-Q127 HydrophobicContact CG2-CG 4.05Å; L121-Q127 HydrophobicContact CD2-CB 3.95Å; T124-Q127 HydrophobicContact CG2-CG 4.29Å; T124-Q127 WeakPolarHBondContact OG1-CB 3.32Å; T124-Q127 WeakPolarHBondContact OG1-CG 3.01Å; H125-Q127 PolarHBondContact O-N 3.11Å; Q127-A150 WeakPolarHBondContact O-CA 3.35Å; Q127-T151 HydrophobicContact CB-CG2 4.13Å; Q127-T151 PolarHBondContact N-OG1 2.86Å; Q127-T151 WeakPolarHBondContact O-CG2 3.34Å; Q127-T151 PolarHBondContact O-N 2.98Å; Q127-T151 PolarHBondContact O-OG1 2.89Å; Q127-I476 WeakPolarHBondContact CA-O 3.4Å; Q127-I476 PolarHBondContact OE1-O 2.89Å |
| 128 | A | 90.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | I148 V149 A150 L165 F475 I476 E477 A478 | A128-I148 HydrophobicContact CB-CG2 3.4Å; A128-V149 CarbonylContact C-O 3.53Å; A128-V149 WeakPolarHBondContact CA-O 3.01Å; A128-A150 HydrophobicContact CB-CB 4.02Å; A128-L165 HydrophobicContact CB-CD1 4.01Å; A128-F475 HydrophobicContact CB-CB 4.39Å; A128-F475 HydrophobicContact CB-CD1 4.44Å; A128-I476 PolarHBondContact N-O 3.4Å; A128-E477 CarbonylContact O-C 3.57Å; A128-E477 WeakPolarHBondContact O-CA 3.14Å; A128-A478 PolarHBondContact O-N 2.86Å |
| 129 | A | 91.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H118 L121 I148 V149 A478 | H118-A129 WeakPolarHBondContact NE2-CB 3.37Å; L121-A129 HydrophobicContact CD1-CB 3.8Å; L121-A129 HydrophobicContact CD2-CB 4.13Å; L121-A129 HydrophobicContact CG-CB 4.03Å; A129-I148 CarbonylContact O-C 3.47Å; A129-I148 WeakPolarHBondContact O-CA 3.5Å; A129-V149 PolarHBondContact N-O 2.99Å; A129-V149 PolarHBondContact O-N 2.85Å; A129-A478 HydrophobicContact CB-CB 4.49Å |
| 130 | R | 91.7 | Very high | 92.2 | Very high | 96 Ų | 96 | 32.6 Ų | 32.6 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.9 | 171.3 | -78.3 | -175.1 | -158.5 | -95.4 | -5.4 | 110.5 | I147 I148 T161 E477 | R130-I147 CarbonylContact C-O 3.59Å; R130-I147 WeakPolarHBondContact CA-O 3.35Å; R130-I148 HydrophobicContact CB-CG1 4.5Å; R130-I148 HydrophobicContact CG-CD1 3.96Å; R130-I148 HydrophobicContact CG-CG1 3.62Å; R130-T161 PolarHBondContact NH2-OG1 2.91Å; R130-E477 WeakPolarHBondContact CD-OE1 3.39Å; R130-E477 VanDerWaalsContact CG-OE1 3.28Å; R130-E477 WeakPolarHBondContact CG-OE1 3.25Å; R130-E477 IonicContact CZ-OE1 2.64Å; R130-E477 IonicContact CZ-OE2 3.48Å; R130-E477 IonicContact NE-OE1 3.12Å; R130-E477 PolarHBondContact NE-OE1 3.07Å; R130-E477 IonicContact NE-OE2 2.83Å; R130-E477 PolarHBondContact NE-OE2 2.89Å; R130-E477 IonicContact NH2-OE1 2.67Å; R130-E477 IonicContact NH2-OE2 3.3Å; R130-E477 PolarHBondContact NH2-OE2 2.79Å |
| 131 | V | 93.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.8 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | I147 V149 Y190 F197 | V131-I147 HydrophobicContact CB-CD1 4.5Å; V131-I147 HydrophobicContact CB-CG1 4.06Å; V131-I147 PolarHBondContact N-O 3.42Å; V131-I147 WeakPolarHBondContact O-CG1 3.24Å; V131-I147 PolarHBondContact O-N 2.77Å; V131-V149 HydrophobicContact CG2-CG2 4.02Å; V131-Y190 HydrophobicContact CG1-CD2 4.36Å; V131-Y190 HydrophobicContact CG1-CE2 4.03Å; V131-Y190 HydrophobicContact CG2-CE1 4.1Å; V131-Y190 HydrophobicContact CG2-CE2 4.43Å; V131-F197 HydrophobicContact CG1-CE2 3.83Å; V131-F197 HydrophobicContact CG1-CZ 4.23Å |
| 132 | A | 95.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 31 Ų | 31 | 62% | 0.62 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | R145 | A132-R145 CarbonylContact C-O 3.56Å; A132-R145 WeakPolarHBondContact CA-O 3.05Å |
| 133 | L | 96 | Very high | 92.7 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 143.9 | 172.2 | -60.2 | 179.7 | 0 | 0 | 0 | 110 | F135 F137 R145 I147 F197 | L133-F135 WeakPolarHBondContact CB-O 3.12Å; L133-F135 PolarHBondContact O-N 2.83Å; L133-F137 HydrophobicContact CD1-CB 3.74Å; L133-R145 PolarHBondContact N-O 2.84Å; L133-I147 HydrophobicContact CD1-CG2 3.92Å; L133-I147 HydrophobicContact CD2-CD1 3.71Å; L133-I147 HydrophobicContact CD2-CG1 4.15Å; L133-I147 HydrophobicContact CG-CD1 4.25Å; L133-I147 HydrophobicContact CG-CG1 4.21Å; L133-I147 HydrophobicContact CG-CG2 4.29Å; L133-F197 HydrophobicContact CD2-CB 3.73Å; L133-F197 HydrophobicContact CD2-CD1 4.03Å; L133-F197 HydrophobicContact CD2-CD2 3.47Å; L133-F197 VanDerWaalsContact CD2-CD2 3.47Å; L133-F197 HydrophobicContact CD2-CE2 4.07Å; L133-F197 HydrophobicContact CD2-CG 3.45Å; L133-F197 VanDerWaalsContact CD2-CG 3.45Å |
| 134 | S | 95.9 | Very high | 93 | Very high | 62 Ų | 62 | 32.1 Ų | 32.1 | 43% | 0.434 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -11.2 | 175.3 | 67 | 0 | 0 | 0 | 0 | 113.7 | D192 G194 | S134-D192 WeakPolarHBondContact CB-OD2 3.38Å; S134-D192 PolarHBondContact N-OD2 2.86Å; S134-D192 PolarHBondContact OG-OD1 2.94Å; S134-D192 PolarHBondContact OG-OD2 3.46Å; S134-D192 VanDerWaalsContact OG-OD2 3.09Å; S134-G194 WeakPolarHBondContact OG-CA 3.43Å; S134-G194 PolarHBondContact OG-N 3.32Å |
| 135 | F | 96.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 163.8 | 179.9 | 62 | -86.7 | 0 | 0 | 0 | 112.1 | L133 F137 G194 F197 S223 | L133-F135 WeakPolarHBondContact CB-O 3.12Å; L133-F135 PolarHBondContact O-N 2.83Å; F135-F137 HydrophobicContact CD2-CB 4.28Å; F135-F137 HydrophobicContact CE2-CB 3.82Å; F135-F137 HydrophobicContact CE2-CD2 4.07Å; F135-F137 HydrophobicContact CE2-CG 4.39Å; F135-F137 PolarHBondContact O-N 2.98Å; F135-G194 WeakPolarHBondContact CB-O 3.39Å; F135-F197 HydrophobicContact CE1-CB 4.01Å; F135-F197 HydrophobicContact CZ-CB 4.03Å; F135-S223 VanDerWaalsContact CE2-CA 3.49Å |
| 136 | D | 95.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108.5 | 171.8 | -69.9 | -58.1 | 0 | 0 | 0 | 109.4 | P138 N143 R145 | D136-P138 WeakPolarHBondContact O-CD 3.47Å; D136-N143 HydrophobicContact CB-CB 4.07Å; D136-R145 WeakPolarHBondContact OD1-CD 3.24Å; D136-R145 WeakPolarHBondContact OD1-CG 3.32Å; D136-R145 IonicContact OD1-CZ 3.52Å; D136-R145 IonicContact OD1-NE 3.47Å; D136-R145 PolarHBondContact OD1-NE 2.97Å; D136-R145 IonicContact OD1-NH2 2.75Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.55Å; D136-R145 PolarHBondContact OD2-NE 2.82Å; D136-R145 IonicContact OD2-NH2 3.52Å; D136-R145 PolarHBondContact OD2-NH2 3.23Å |
| 137 | F | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.5 | 177.1 | 177 | -112.5 | 0 | 0 | 0 | 110.3 | L133 F135 F139 I144 M157 L221 H222 I227 | L133-F137 HydrophobicContact CD1-CB 3.74Å; F135-F137 HydrophobicContact CD2-CB 4.28Å; F135-F137 HydrophobicContact CE2-CB 3.82Å; F135-F137 HydrophobicContact CE2-CD2 4.07Å; F135-F137 HydrophobicContact CE2-CG 4.39Å; F135-F137 PolarHBondContact O-N 2.98Å; F137-F139 HydrophobicContact CD1-CB 3.96Å; F137-F139 HydrophobicContact CE1-CB 3.75Å; F137-F139 AromaticContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CG 4.17Å; F137-F139 PolarHBondContact O-N 2.78Å; F137-I144 PolarHBondContact N-O 2.77Å; F137-I144 PolarHBondContact O-N 2.7Å; F137-M157 HydrophobicContact CD1-CE 3.47Å; F137-M157 VanDerWaalsContact CD1-CE 3.47Å; F137-M157 HydrophobicContact CE1-CE 3.64Å; F137-L221 HydrophobicContact CD1-CD1 4.36Å; F137-L221 HydrophobicContact CD2-CB 3.99Å; F137-L221 HydrophobicContact CE1-CD1 4.38Å; F137-L221 HydrophobicContact CE1-CD2 4.24Å; F137-L221 HydrophobicContact CE2-CB 3.85Å; F137-L221 HydrophobicContact CE2-CD2 4.43Å; F137-L221 HydrophobicContact CG-CB 4.47Å; F137-L221 HydrophobicContact CZ-CB 4.22Å; F137-L221 HydrophobicContact CZ-CD2 3.98Å; F137-H222 VanDerWaalsContact CD2-O 3.26Å; F137-H222 WeakPolarHBondContact CD2-O 3.29Å; F137-H222 WeakPolarHBondContact CE2-O 3.49Å; F137-I227 HydrophobicContact CE1-CD1 4.42Å; F137-I227 HydrophobicContact CE2-CG1 4.32Å; F137-I227 HydrophobicContact CZ-CD1 3.86Å; F137-I227 HydrophobicContact CZ-CG1 3.61Å |
| 138 | P | 95.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 106.8 | -179.6 | 30.2 | -31 | 0 | 0 | 0 | 110.2 | Y88 D136 H142 S223 | Y88-P138 PolarHBondContact OH-O 2.93Å; D136-P138 WeakPolarHBondContact O-CD 3.47Å; P138-H142 WeakPolarHBondContact CA-O 3.45Å; P138-S223 WeakPolarHBondContact CD-O 3.23Å |
| 139 | F | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116 | 178.1 | -172.9 | -111.8 | 0 | 0 | 0 | 110.1 | Y88 F137 G141 H142 I144 M157 V171 I227 D254 R333 | Y88-F139 HydrophobicContact CE2-CD2 4.48Å; Y88-F139 WeakPolarHBondContact OH-CD2 3.41Å; F137-F139 HydrophobicContact CD1-CB 3.96Å; F137-F139 HydrophobicContact CE1-CB 3.75Å; F137-F139 AromaticContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CD2 3.85Å; F137-F139 HydrophobicContact CE1-CG 4.17Å; F137-F139 PolarHBondContact O-N 2.78Å; F139-G141 PolarHBondContact O-N 2.63Å; F139-G141 VanDerWaalsContact O-N 3.1Å; F139-H142 PolarHBondContact N-O 3.11Å; F139-H142 PolarHBondContact O-N 3.08Å; F139-I144 HydrophobicContact CB-CG1 3.94Å; F139-M157 HydrophobicContact CB-CE 4.26Å; F139-M157 HydrophobicContact CD1-CB 3.88Å; F139-M157 HydrophobicContact CD1-CG 4.18Å; F139-M157 HydrophobicContact CD2-CE 4.48Å; F139-M157 HydrophobicContact CE1-CB 3.77Å; F139-M157 HydrophobicContact CE1-CG 3.95Å; F139-M157 HydrophobicContact CG-CE 4.19Å; F139-M157 HydrophobicContact CZ-CB 4.42Å; F139-M157 HydrophobicContact CZ-CG 4.11Å; F139-V171 HydrophobicContact CD2-CG2 4.23Å; F139-V171 HydrophobicContact CE2-CG2 3.59Å; F139-V171 HydrophobicContact CZ-CG2 4.04Å; F139-I227 HydrophobicContact CD2-CD1 4.21Å; F139-I227 HydrophobicContact CE2-CD1 4.17Å; F139-D254 HydrophobicContact CE1-CB 4.16Å; F139-R333 VanDerWaalsContact CD1-NH2 3.33Å |
| 140 | Y | 93.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.5 | -176.9 | -77.3 | -96.3 | 0 | 0 | 0 | 114.2 | Y87 Y88 L252 D254 Y276 H277 | Y87-Y140 AromaticContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CD1 3.47Å; Y87-Y140 VanDerWaalsContact CD1-CD1 3.47Å; Y87-Y140 HydrophobicContact CD1-CE1 4.19Å; Y87-Y140 HydrophobicContact CD1-CG 4.3Å; Y87-Y140 AromaticContact CD2-CD1 3.7Å; Y87-Y140 HydrophobicContact CD2-CD1 3.7Å; Y87-Y140 AromaticContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CD2-CE1 3.6Å; Y87-Y140 HydrophobicContact CE1-CD1 4.1Å; Y87-Y140 HydrophobicContact CE2-CD1 4.29Å; Y87-Y140 HydrophobicContact CE2-CE1 4.38Å; Y87-Y140 AromaticContact CG-CD1 3.27Å; Y87-Y140 HydrophobicContact CG-CD1 3.27Å; Y87-Y140 AromaticContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CE1 3.5Å; Y87-Y140 HydrophobicContact CG-CG 4.34Å; Y88-Y140 HydrophobicContact CD2-CD2 4.49Å; Y88-Y140 HydrophobicContact CD2-CE2 4.1Å; Y88-Y140 AromaticContact CE2-CD2 3.71Å; Y88-Y140 HydrophobicContact CE2-CD2 3.71Å; Y88-Y140 AromaticContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CE2 3.67Å; Y88-Y140 HydrophobicContact CE2-CG 4.23Å; Y140-L252 HydrophobicContact CE2-CB 4.37Å; Y140-D254 WeakPolarHBondContact CB-OD2 3.33Å; Y140-D254 HydrophobicContact CD1-CB 3.94Å; Y140-D254 HydrophobicContact CD2-CB 3.61Å; Y140-D254 HydrophobicContact CE1-CB 4.15Å; Y140-D254 HydrophobicContact CE2-CB 3.8Å; Y140-D254 HydrophobicContact CG-CB 3.68Å; Y140-Y276 HydrophobicContact CD1-CE2 4.01Å; Y140-Y276 HydrophobicContact CE1-CE2 4.45Å; Y140-H277 HydrophobicContact CD1-CB 4.5Å; Y140-H277 HydrophobicContact CE1-CB 3.66Å; Y140-H277 AromaticContact CE1-CG 3.67Å; Y140-H277 AromaticContact CE1-ND1 3.29Å; Y140-H277 VanDerWaalsContact CE1-ND1 3.29Å; Y140-H277 WeakPolarHBondContact CE1-ND1 3.48Å; Y140-H277 AromaticContact CZ-ND1 3.54Å; Y140-H277 PolarHBondContact OH-ND1 2.88Å |
| 141 | G | 91.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 32 Ų | 32 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -3.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F139 T299 | F139-G141 PolarHBondContact O-N 2.63Å; F139-G141 VanDerWaalsContact O-N 3.1Å; G141-T299 VanDerWaalsContact CA-OG1 3.3Å; G141-T299 WeakPolarHBondContact CA-OG1 3.49Å |
| 142 | H | 93.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 31.4 Ų | 31.4 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.1 | 175.7 | -58.6 | -75.5 | 0 | 0 | 0 | 110.8 | P138 F139 I144 L301 D332 R333 H334 | P138-H142 WeakPolarHBondContact CA-O 3.45Å; F139-H142 PolarHBondContact N-O 3.11Å; F139-H142 PolarHBondContact O-N 3.08Å; H142-I144 HydrophobicContact CB-CD1 4.14Å; H142-I144 PolarHBondContact O-N 3.45Å; H142-L301 WeakPolarHBondContact CE1-CD1 3.33Å; H142-L301 WeakPolarHBondContact NE2-CD1 3.23Å; H142-D332 IonicContact CE1-OD1 3.66Å; H142-D332 PolarHBondContact CE1-OD1 3.4Å; H142-D332 IonicContact NE2-OD1 2.8Å; H142-R333 VanDerWaalsContact CD2-CD 3.46Å; H142-R333 WeakPolarHBondContact CD2-CD 3.05Å; H142-R333 WeakPolarHBondContact NE2-CG 3.37Å; H142-R333 PolarHBondContact NE2-N 3.47Å; H142-H334 AromaticContact CE1-CE1 3.64Å; H142-H334 AromaticContact CE1-ND1 3.41Å; H142-H334 PolarHBondContact CE1-ND1 2.75Å; H142-H334 AromaticContact ND1-CE1 3.5Å; H142-H334 PolarHBondContact ND1-CE1 3.14Å; H142-H334 AromaticContact ND1-ND1 3.75Å |
| 143 | N | 94.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 27.9 Ų | 27.9 | 58% | 0.583 | 14% | 0.144 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118 | 175.8 | -69.9 | -11.6 | 0 | 0 | 0 | 110 | D136 | D136-N143 HydrophobicContact CB-CB 4.07Å |
| 144 | I | 94 | Very high | 94.8 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 9% | 0.092 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128.3 | -177.6 | -50.3 | -57 | 0 | 0 | 0 | 109.5 | F137 F139 H142 Q146 I147 M157 R333 | F137-I144 PolarHBondContact N-O 2.77Å; F137-I144 PolarHBondContact O-N 2.7Å; F139-I144 HydrophobicContact CB-CG1 3.94Å; H142-I144 HydrophobicContact CB-CD1 4.14Å; H142-I144 PolarHBondContact O-N 3.45Å; I144-Q146 WeakPolarHBondContact CG2-O 3.48Å; I144-I147 HydrophobicContact CG2-CG2 3.88Å; I144-M157 HydrophobicContact CB-CE 4.31Å; I144-M157 HydrophobicContact CG1-CE 4.4Å; I144-M157 HydrophobicContact CG2-CE 4.16Å; I144-R333 VanDerWaalsContact CD1-NH1 3.29Å |
| 145 | R | 94.4 | Very high | 94.8 | Very high | 124 Ų | 124 | 24.5 Ų | 24.5 | 47% | 0.468 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -25.8 | 172.1 | -75.4 | -170.7 | 173.8 | -112.7 | -4.1 | 113.9 | A132 L133 D136 | A132-R145 CarbonylContact C-O 3.56Å; A132-R145 WeakPolarHBondContact CA-O 3.05Å; L133-R145 PolarHBondContact N-O 2.84Å; D136-R145 WeakPolarHBondContact OD1-CD 3.24Å; D136-R145 WeakPolarHBondContact OD1-CG 3.32Å; D136-R145 IonicContact OD1-CZ 3.52Å; D136-R145 IonicContact OD1-NE 3.47Å; D136-R145 PolarHBondContact OD1-NE 2.97Å; D136-R145 IonicContact OD1-NH2 2.75Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.55Å; D136-R145 PolarHBondContact OD2-NE 2.82Å; D136-R145 IonicContact OD2-NH2 3.52Å; D136-R145 PolarHBondContact OD2-NH2 3.23Å |
| 146 | Q | 94.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 23.8 Ų | 23.8 | 54% | 0.542 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121 | 179.6 | -67.3 | -171.8 | -19.2 | 0 | 0 | 108.8 | I144 | I144-Q146 WeakPolarHBondContact CG2-O 3.48Å |
| 147 | I | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 161.9 | 177.4 | 61.8 | 164.7 | 0 | 0 | 0 | 109.7 | R130 V131 L133 I144 V149 I155 M157 F197 L221 | R130-I147 CarbonylContact C-O 3.59Å; R130-I147 WeakPolarHBondContact CA-O 3.35Å; V131-I147 HydrophobicContact CB-CD1 4.5Å; V131-I147 HydrophobicContact CB-CG1 4.06Å; V131-I147 PolarHBondContact N-O 3.42Å; V131-I147 WeakPolarHBondContact O-CG1 3.24Å; V131-I147 PolarHBondContact O-N 2.77Å; L133-I147 HydrophobicContact CD1-CG2 3.92Å; L133-I147 HydrophobicContact CD2-CD1 3.71Å; L133-I147 HydrophobicContact CD2-CG1 4.15Å; L133-I147 HydrophobicContact CG-CD1 4.25Å; L133-I147 HydrophobicContact CG-CG1 4.21Å; L133-I147 HydrophobicContact CG-CG2 4.29Å; I144-I147 HydrophobicContact CG2-CG2 3.88Å; I147-V149 HydrophobicContact CD1-CG2 4.34Å; I147-I155 HydrophobicContact CB-CG2 3.8Å; I147-I155 HydrophobicContact CD1-CG2 3.85Å; I147-I155 HydrophobicContact CG1-CG2 4.29Å; I147-I155 HydrophobicContact CG2-CG2 4.41Å; I147-M157 HydrophobicContact CB-SD 4.37Å; I147-M157 HydrophobicContact CG2-CE 3.79Å; I147-M157 HydrophobicContact CG2-SD 3.7Å; I147-F197 HydrophobicContact CD1-CD1 4Å; I147-F197 HydrophobicContact CD1-CE1 3.49Å; I147-F197 VanDerWaalsContact CD1-CE1 3.49Å; I147-F197 HydrophobicContact CD1-CE2 4.37Å; I147-F197 HydrophobicContact CD1-CZ 3.71Å; I147-L221 HydrophobicContact CD1-CD1 4.46Å |
| 148 | I | 94.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.2 | 177.1 | -68.5 | 175.2 | 0 | 0 | 0 | 109.2 | A128 A129 R130 I155 F156 T161 L165 | A128-I148 HydrophobicContact CB-CG2 3.4Å; A129-I148 CarbonylContact O-C 3.47Å; A129-I148 WeakPolarHBondContact O-CA 3.5Å; R130-I148 HydrophobicContact CB-CG1 4.5Å; R130-I148 HydrophobicContact CG-CD1 3.96Å; R130-I148 HydrophobicContact CG-CG1 3.62Å; I148-I155 CarbonylContact O-C 3.59Å; I148-I155 WeakPolarHBondContact O-CA 3.17Å; I148-F156 HydrophobicContact CB-CB 4.11Å; I148-F156 HydrophobicContact CB-CD1 4.3Å; I148-F156 HydrophobicContact CD1-CD1 4.08Å; I148-F156 HydrophobicContact CG2-CB 4.49Å; I148-F156 PolarHBondContact N-O 2.87Å; I148-F156 PolarHBondContact O-N 3.32Å; I148-T161 HydrophobicContact CD1-CG2 3.09Å; I148-L165 HydrophobicContact CG2-CD1 4.13Å |
| 149 | V | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.8 | 178.3 | 178 | 0 | 0 | 0 | 0 | 109 | L121 A128 A129 V131 I147 V188 F197 V199 W201 | L121-V149 HydrophobicContact CD1-CB 4.18Å; L121-V149 HydrophobicContact CD1-CG1 4Å; A128-V149 CarbonylContact C-O 3.53Å; A128-V149 WeakPolarHBondContact CA-O 3.01Å; A129-V149 PolarHBondContact N-O 2.99Å; A129-V149 PolarHBondContact O-N 2.85Å; V131-V149 HydrophobicContact CG2-CG2 4.02Å; I147-V149 HydrophobicContact CD1-CG2 4.34Å; V149-V188 HydrophobicContact CG1-CG1 4.13Å; V149-F197 HydrophobicContact CG2-CZ 4.32Å; V149-V199 HydrophobicContact CG1-CG2 3.74Å; V149-W201 HydrophobicContact CG1-CZ2 3.98Å |
| 150 | A | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 149.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q127 A128 G152 G153 F154 W201 F475 | Q127-A150 WeakPolarHBondContact O-CA 3.35Å; A128-A150 HydrophobicContact CB-CB 4.02Å; A150-G152 PolarHBondContact O-N 3.18Å; A150-G153 PolarHBondContact O-N 2.86Å; A150-F154 HydrophobicContact CB-CD1 3.84Å; A150-F154 HydrophobicContact CB-CD2 4.35Å; A150-F154 HydrophobicContact CB-CE1 3.45Å; A150-F154 VanDerWaalsContact CB-CE1 3.45Å; A150-F154 HydrophobicContact CB-CE2 4.01Å; A150-F154 HydrophobicContact CB-CG 4.28Å; A150-F154 HydrophobicContact CB-CZ 3.54Å; A150-F154 PolarHBondContact N-O 2.79Å; A150-W201 PolarHBondContact O-NE1 3.1Å; A150-F475 HydrophobicContact CB-CD1 4.05Å; A150-F475 HydrophobicContact CB-CE1 3.92Å |
| 151 | T | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.2 | 175.2 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | L121 T124 R126 Q127 G153 F178 P180 | L121-T151 HydrophobicContact CB-CG2 3.94Å; L121-T151 HydrophobicContact CD2-CG2 3.68Å; L121-T151 HydrophobicContact CG-CG2 4.41Å; L121-T151 VanDerWaalsContact O-CG2 3.3Å; L121-T151 WeakPolarHBondContact O-CG2 3.32Å; T124-T151 WeakPolarHBondContact O-CG2 3.36Å; R126-T151 PolarHBondContact N-OG1 3.41Å; Q127-T151 HydrophobicContact CB-CG2 4.13Å; Q127-T151 PolarHBondContact N-OG1 2.86Å; Q127-T151 WeakPolarHBondContact O-CG2 3.34Å; Q127-T151 PolarHBondContact O-N 2.98Å; Q127-T151 PolarHBondContact O-OG1 2.89Å; T151-G153 PolarHBondContact O-N 2.97Å; T151-G153 VanDerWaalsContact O-N 3.14Å; T151-F178 WeakPolarHBondContact O-CB 3.5Å; T151-P180 HydrophobicContact CG2-CG 4.29Å |
| 152 | G | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 13.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A150 M175 A176 | A150-G152 PolarHBondContact O-N 3.18Å; G152-M175 CarbonylContact O-C 3.39Å; G152-M175 VanDerWaalsContact O-CA 3.27Å; G152-M175 WeakPolarHBondContact O-CA 3.13Å; G152-A176 WeakPolarHBondContact CA-O 3.48Å; G152-A176 PolarHBondContact O-N 3.48Å |
| 153 | G | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 26.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A150 T151 P173 L174 | A150-G153 PolarHBondContact O-N 2.86Å; T151-G153 PolarHBondContact O-N 2.97Å; T151-G153 VanDerWaalsContact O-N 3.14Å; G153-P173 WeakPolarHBondContact O-CD 3.01Å; G153-P173 WeakPolarHBondContact O-CG 3.2Å; G153-L174 CarbonylContact C-O 3.59Å; G153-L174 VanDerWaalsContact CA-O 3.29Å; G153-L174 WeakPolarHBondContact CA-O 3.29Å; G153-L174 CarbonylContact O-C 3.57Å; G153-L174 VanDerWaalsContact O-C 3.3Å; G153-L174 PolarHBondContact O-N 2.83Å; G153-L174 VanDerWaalsContact O-O 3.07Å |
| 154 | F | 96.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163.9 | 178.6 | 72.5 | -82.8 | 0 | 0 | 0 | 112.5 | A150 F156 L165 T166 V171 A172 M175 F475 | A150-F154 HydrophobicContact CB-CD1 3.84Å; A150-F154 HydrophobicContact CB-CD2 4.35Å; A150-F154 HydrophobicContact CB-CE1 3.45Å; A150-F154 VanDerWaalsContact CB-CE1 3.45Å; A150-F154 HydrophobicContact CB-CE2 4.01Å; A150-F154 HydrophobicContact CB-CG 4.28Å; A150-F154 HydrophobicContact CB-CZ 3.54Å; A150-F154 PolarHBondContact N-O 2.79Å; F154-F156 HydrophobicContact CE2-CB 4.21Å; F154-L165 HydrophobicContact CE2-CB 4.28Å; F154-L165 WeakPolarHBondContact CE2-O 3.18Å; F154-L165 HydrophobicContact CZ-CB 4.29Å; F154-T166 HydrophobicContact CE1-CG2 3.77Å; F154-T166 HydrophobicContact CZ-CG2 3.65Å; F154-V171 WeakPolarHBondContact CA-O 3.17Å; F154-A172 HydrophobicContact CB-CB 3.9Å; F154-M175 HydrophobicContact CB-CB 4.24Å; F154-M175 HydrophobicContact CB-CE 3.69Å; F154-M175 HydrophobicContact CB-CG 4.46Å; F154-M175 HydrophobicContact CD1-CB 4.33Å; F154-M175 HydrophobicContact CD1-CE 3.56Å; F154-M175 HydrophobicContact CD1-CG 3.73Å; F154-M175 HydrophobicContact CD1-SD 4.31Å; F154-M175 HydrophobicContact CD2-CE 3.42Å; F154-M175 VanDerWaalsContact CD2-CE 3.42Å; F154-M175 HydrophobicContact CE1-CE 3.96Å; F154-M175 HydrophobicContact CE1-CG 4.25Å; F154-M175 HydrophobicContact CE2-CE 3.83Å; F154-M175 HydrophobicContact CG-CE 3.26Å; F154-M175 HydrophobicContact CG-CG 4.26Å; F154-M175 HydrophobicContact CZ-CE 4.09Å; F154-F475 HydrophobicContact CE1-CE1 4.22Å; F154-F475 AromaticContact CE1-CE2 3.86Å; F154-F475 HydrophobicContact CE1-CE2 3.86Å; F154-F475 AromaticContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CZ-CD2 4.25Å; F154-F475 HydrophobicContact CZ-CE2 4.01Å; F154-F475 HydrophobicContact CZ-CZ 4.2Å |
| 155 | I | 96.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.8 | 173.2 | -46.9 | 173.9 | 0 | 0 | 0 | 107.4 | I147 I148 M157 Y170 V171 F197 V199 W201 A219 L221 | I147-I155 HydrophobicContact CB-CG2 3.8Å; I147-I155 HydrophobicContact CD1-CG2 3.85Å; I147-I155 HydrophobicContact CG1-CG2 4.29Å; I147-I155 HydrophobicContact CG2-CG2 4.41Å; I148-I155 CarbonylContact O-C 3.59Å; I148-I155 WeakPolarHBondContact O-CA 3.17Å; I155-M157 HydrophobicContact CB-SD 4.31Å; I155-M157 HydrophobicContact CG2-SD 3.69Å; I155-Y170 CarbonylContact O-C 3.3Å; I155-Y170 VanDerWaalsContact O-CA 3.29Å; I155-Y170 WeakPolarHBondContact O-CA 3.5Å; I155-V171 HydrophobicContact CB-CB 4.32Å; I155-V171 PolarHBondContact N-O 2.64Å; I155-V171 PolarHBondContact O-N 3.15Å; I155-F197 HydrophobicContact CD1-CE1 4.43Å; I155-V199 HydrophobicContact CD1-CG1 3.62Å; I155-V199 HydrophobicContact CG1-CG1 4.05Å; I155-W201 HydrophobicContact CG1-CH2 4.07Å; I155-A219 HydrophobicContact CD1-CB 4.3Å; I155-L221 HydrophobicContact CD1-CD1 4.11Å; I155-L221 HydrophobicContact CD1-CG 4.42Å |
| 156 | F | 94.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.4 | 169.9 | 177 | -100 | 0 | 0 | 0 | 109.7 | I148 F154 G158 H162 L165 T168 Q169 | I148-F156 HydrophobicContact CB-CB 4.11Å; I148-F156 HydrophobicContact CB-CD1 4.3Å; I148-F156 HydrophobicContact CD1-CD1 4.08Å; I148-F156 HydrophobicContact CG2-CB 4.49Å; I148-F156 PolarHBondContact N-O 2.87Å; I148-F156 PolarHBondContact O-N 3.32Å; F154-F156 HydrophobicContact CE2-CB 4.21Å; F156-G158 VanDerWaalsContact CE1-CA 3.43Å; F156-G158 WeakPolarHBondContact CE1-O 3.29Å; F156-G158 VanDerWaalsContact CZ-CA 3.49Å; F156-H162 AromaticContact CE2-CE1 3.49Å; F156-H162 VanDerWaalsContact CE2-CE1 3.49Å; F156-H162 WeakPolarHBondContact CE2-CE1 3.34Å; F156-H162 AromaticContact CZ-CE1 3.45Å; F156-H162 VanDerWaalsContact CZ-CE1 3.45Å; F156-H162 WeakPolarHBondContact CZ-CE1 3.5Å; F156-H162 AromaticContact CZ-ND1 3.75Å; F156-L165 HydrophobicContact CB-CB 4.46Å; F156-L165 HydrophobicContact CD1-CD2 3.82Å; F156-L165 HydrophobicContact CD2-CB 4.25Å; F156-L165 HydrophobicContact CD2-CD2 4.17Å; F156-L165 WeakPolarHBondContact CD2-O 3.38Å; F156-L165 HydrophobicContact CE1-CD2 3.82Å; F156-L165 HydrophobicContact CE2-CD2 4.21Å; F156-L165 HydrophobicContact CG-CB 4.33Å; F156-L165 HydrophobicContact CG-CD2 3.97Å; F156-L165 HydrophobicContact CZ-CD2 4.03Å; F156-T168 WeakPolarHBondContact CD2-O 3.34Å; F156-T168 VanDerWaalsContact CE2-O 3.26Å; F156-T168 WeakPolarHBondContact CE2-O 3.29Å; F156-Q169 HydrophobicContact CD2-CB 4.48Å; F156-Q169 WeakPolarHBondContact CD2-O 3.32Å; F156-Q169 HydrophobicContact CE2-CB 3.99Å |
| 157 | M | 94.2 | Very high | 82.9 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | trans | -109.8 | 2.3 | -172.2 | -56.3 | -59.1 | -69.7 | 0 | 0 | 112.8 | F137 F139 I144 I147 I155 Q169 V171 R333 | F137-M157 HydrophobicContact CD1-CE 3.47Å; F137-M157 VanDerWaalsContact CD1-CE 3.47Å; F137-M157 HydrophobicContact CE1-CE 3.64Å; F139-M157 HydrophobicContact CB-CE 4.26Å; F139-M157 HydrophobicContact CD1-CB 3.88Å; F139-M157 HydrophobicContact CD1-CG 4.18Å; F139-M157 HydrophobicContact CD2-CE 4.48Å; F139-M157 HydrophobicContact CE1-CB 3.77Å; F139-M157 HydrophobicContact CE1-CG 3.95Å; F139-M157 HydrophobicContact CG-CE 4.19Å; F139-M157 HydrophobicContact CZ-CB 4.42Å; F139-M157 HydrophobicContact CZ-CG 4.11Å; I144-M157 HydrophobicContact CB-CE 4.31Å; I144-M157 HydrophobicContact CG1-CE 4.4Å; I144-M157 HydrophobicContact CG2-CE 4.16Å; I147-M157 HydrophobicContact CB-SD 4.37Å; I147-M157 HydrophobicContact CG2-CE 3.79Å; I147-M157 HydrophobicContact CG2-SD 3.7Å; I155-M157 HydrophobicContact CB-SD 4.31Å; I155-M157 HydrophobicContact CG2-SD 3.69Å; M157-Q169 PolarHBondContact N-O 3.29Å; M157-V171 HydrophobicContact CG-CB 4.49Å; M157-V171 HydrophobicContact CG-CG2 3.72Å; M157-V171 HydrophobicContact SD-CG2 3.98Å; M157-R333 PolarHBondContact O-NH1 3.29Å; M157-R333 PolarHBondContact O-NH2 3.12Å | ||
| 158 | G | 86.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | trans | -78.3 | 149 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F156 Q169 | F156-G158 VanDerWaalsContact CE1-CA 3.43Å; F156-G158 WeakPolarHBondContact CE1-O 3.29Å; F156-G158 VanDerWaalsContact CZ-CA 3.49Å; G158-Q169 VanDerWaalsContact CA-OE1 3.27Å | ||
| 159 | E | 76.3 | Confident | 82 | Confident | 155 Ų | 155 | 29.3 Ų | 29.3 | 72% | 0.724 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -75.6 | -41.3 | 177.5 | -174.9 | 177.4 | -167 | 0 | 0 | 111.7 | ||
| 160 | I | 72.9 | Confident | 81.9 | Confident | 69 Ų | 69 | 29.4 Ų | 29.4 | 35% | 0.354 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -92.6 | 114 | -178.3 | -59.7 | 173.4 | 0 | 0 | 0 | 109.2 | H162 M257 | I160-H162 PolarHBondContact O-N 3.27Å; I160-H162 PolarHBondContact O-ND1 3.14Å; I160-M257 HydrophobicContact CB-CE 3.95Å; I160-M257 HydrophobicContact CB-SD 4.28Å; I160-M257 HydrophobicContact CD1-CE 3.72Å; I160-M257 HydrophobicContact CD1-SD 4.17Å; I160-M257 HydrophobicContact CG1-CE 4.13Å |
| 161 | T | 68 | Low | 82.1 | Confident | 53 Ų | 53 | 29.4 Ų | 29.4 | 33% | 0.325 | 14% | 0.137 | S | C | . | . | trans | -67.7 | 129.9 | 168.4 | 41.5 | 0 | 0 | 0 | 0 | 110.4 | R130 I148 L165 | R130-T161 PolarHBondContact NH2-OG1 2.91Å; I148-T161 HydrophobicContact CD1-CG2 3.09Å; T161-L165 HydrophobicContact CG2-CD2 4.2Å | ||
| 162 | H | 67 | Low | 82.2 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 19% | 0.194 | 14% | 0.137 | C | C | . | . | trans | -130.4 | 165.9 | 174.1 | 54.1 | -79.7 | 0 | 0 | 0 | 108.1 | F156 I160 M164 L165 I273 | F156-H162 AromaticContact CE2-CE1 3.49Å; F156-H162 VanDerWaalsContact CE2-CE1 3.49Å; F156-H162 WeakPolarHBondContact CE2-CE1 3.34Å; F156-H162 AromaticContact CZ-CE1 3.45Å; F156-H162 VanDerWaalsContact CZ-CE1 3.45Å; F156-H162 WeakPolarHBondContact CZ-CE1 3.5Å; F156-H162 AromaticContact CZ-ND1 3.75Å; I160-H162 PolarHBondContact O-N 3.27Å; I160-H162 PolarHBondContact O-ND1 3.14Å; H162-M164 PolarHBondContact CD2-O 2.87Å; H162-M164 PolarHBondContact NE2-O 3.45Å; H162-M164 PolarHBondContact O-N 3.25Å; H162-L165 WeakPolarHBondContact O-CD2 3.4Å; H162-I273 WeakPolarHBondContact NE2-CD1 3.44Å | ||
| 163 | R | 64.4 | Low | 82.4 | Confident | 221 Ų | 221 | 29.3 Ų | 29.3 | 83% | 0.834 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -59.6 | -18.7 | -176.4 | -71.7 | -178.1 | 169.6 | -176.4 | -3.9 | 113.8 | G474 | R163-G474 WeakPolarHBondContact O-CA 3.21Š|
| 164 | M | 62.7 | Low | 82.5 | Confident | 42 Ų | 42 | 29.3 Ų | 29.3 | 21% | 0.207 | 14% | 0.136 | C | C | . | . | trans | -115.5 | 58.4 | -171.9 | -52.7 | -179.5 | 163.6 | 0 | 0 | 111.9 | H162 T166 A167 L467 E471 | H162-M164 PolarHBondContact CD2-O 2.87Å; H162-M164 PolarHBondContact NE2-O 3.45Å; H162-M164 PolarHBondContact O-N 3.25Å; M164-T166 PolarHBondContact O-N 2.93Å; M164-A167 HydrophobicContact CB-CB 3.76Å; M164-A167 VanDerWaalsContact O-CB 3.29Å; M164-A167 WeakPolarHBondContact O-CB 3.4Å; M164-A167 PolarHBondContact O-N 3.31Å; M164-L467 HydrophobicContact CE-CB 4.18Å; M164-L467 HydrophobicContact CE-CD2 3.76Å; M164-L467 HydrophobicContact SD-CD2 3.32Å; M164-L467 WeakPolarHBondContact SD-CD2 3.38Å; M164-E471 VanDerWaalsContact CB-OE2 3.28Å; M164-E471 WeakPolarHBondContact CB-OE2 3.31Å; M164-E471 WeakPolarHBondContact CG-OE2 3.5Å | ||
| 165 | L | 68.8 | Low | 82.4 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.8 | 179.2 | -58.7 | -177.3 | 0 | 0 | 0 | 113.6 | A128 I148 F154 F156 T161 H162 F475 | A128-L165 HydrophobicContact CB-CD1 4.01Å; I148-L165 HydrophobicContact CG2-CD1 4.13Å; F154-L165 HydrophobicContact CE2-CB 4.28Å; F154-L165 WeakPolarHBondContact CE2-O 3.18Å; F154-L165 HydrophobicContact CZ-CB 4.29Å; F156-L165 HydrophobicContact CB-CB 4.46Å; F156-L165 HydrophobicContact CD1-CD2 3.82Å; F156-L165 HydrophobicContact CD2-CB 4.25Å; F156-L165 HydrophobicContact CD2-CD2 4.17Å; F156-L165 WeakPolarHBondContact CD2-O 3.38Å; F156-L165 HydrophobicContact CE1-CD2 3.82Å; F156-L165 HydrophobicContact CE2-CD2 4.21Å; F156-L165 HydrophobicContact CG-CB 4.33Å; F156-L165 HydrophobicContact CG-CD2 3.97Å; F156-L165 HydrophobicContact CZ-CD2 4.03Å; T161-L165 HydrophobicContact CG2-CD2 4.2Å; H162-L165 WeakPolarHBondContact O-CD2 3.4Å; L165-F475 HydrophobicContact CD1-CB 3.93Å |
| 166 | T | 63.6 | Low | 82.3 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.3 | 176.7 | 38.1 | 0 | 0 | 0 | 0 | 114.3 | F154 M164 M175 P247 K249 E471 F475 | F154-T166 HydrophobicContact CE1-CG2 3.77Å; F154-T166 HydrophobicContact CZ-CG2 3.65Å; M164-T166 PolarHBondContact O-N 2.93Å; T166-M175 HydrophobicContact CG2-CE 4.34Å; T166-M175 HydrophobicContact CG2-SD 3.91Å; T166-P247 HydrophobicContact CG2-CG 4.23Å; T166-K249 PolarHBondContact O-NZ 2.81Å; T166-E471 PolarHBondContact OG1-OE1 3.5Å; T166-F475 HydrophobicContact CG2-CD2 4.01Å; T166-F475 HydrophobicContact CG2-CE2 3.43Å; T166-F475 VanDerWaalsContact CG2-CE2 3.43Å; T166-F475 HydrophobicContact CG2-CZ 4.37Å |
| 167 | A | 68.3 | Low | 82.3 | Confident | 11 Ų | 11 | 30 Ų | 30 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -46.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M164 K249 V465 | M164-A167 HydrophobicContact CB-CB 3.76Å; M164-A167 VanDerWaalsContact O-CB 3.29Å; M164-A167 WeakPolarHBondContact O-CB 3.4Å; M164-A167 PolarHBondContact O-N 3.31Å; A167-K249 PolarHBondContact O-NZ 3.05Å; A167-V465 HydrophobicContact CB-CG1 4.14Å |
| 168 | T | 78.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -148.6 | 164.9 | -169.3 | 61 | 0 | 0 | 0 | 0 | 113 | F156 A255 I273 V465 | F156-T168 WeakPolarHBondContact CD2-O 3.34Å; F156-T168 VanDerWaalsContact CE2-O 3.26Å; F156-T168 WeakPolarHBondContact CE2-O 3.29Å; T168-A255 HydrophobicContact CG2-CB 3.97Å; T168-I273 HydrophobicContact CG2-CB 4.35Å; T168-I273 HydrophobicContact CG2-CG2 3.58Å; T168-V465 HydrophobicContact CG2-CB 4.19Å; T168-V465 HydrophobicContact CG2-CG1 4.12Å; T168-V465 HydrophobicContact CG2-CG2 3.54Å |
| 169 | Q | 90.9 | Very high | 82.7 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 59.2 | 58.8 | 171.9 | -48 | -169.2 | -68.4 | 0 | 0 | 114 | F156 M157 G158 S253 D254 A255 | F156-Q169 HydrophobicContact CD2-CB 4.48Å; F156-Q169 WeakPolarHBondContact CD2-O 3.32Å; F156-Q169 HydrophobicContact CE2-CB 3.99Å; M157-Q169 PolarHBondContact N-O 3.29Å; G158-Q169 VanDerWaalsContact CA-OE1 3.27Å; Q169-S253 CarbonylContact C-O 3.55Å; Q169-S253 WeakPolarHBondContact CA-O 3.49Å; Q169-D254 WeakPolarHBondContact CG-OD1 3.34Å; Q169-D254 PolarHBondContact NE2-OD1 3.42Å; Q169-D254 VanDerWaalsContact NE2-OD1 3.16Å; Q169-A255 HydrophobicContact CG-CB 3.87Å; Q169-A255 PolarHBondContact NE2-O 2.97Å |
| 170 | Y | 94.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 155 | -174.8 | 63.4 | -104.3 | 0 | 0 | 0 | 113.9 | I155 A172 M175 K249 L252 S253 | I155-Y170 CarbonylContact O-C 3.3Å; I155-Y170 VanDerWaalsContact O-CA 3.29Å; I155-Y170 WeakPolarHBondContact O-CA 3.5Å; Y170-A172 HydrophobicContact CD2-CB 3.44Å; Y170-A172 VanDerWaalsContact CD2-CB 3.44Å; Y170-A172 HydrophobicContact CE2-CB 3.77Å; Y170-A172 HydrophobicContact CG-CB 4.4Å; Y170-M175 HydrophobicContact CD1-CE 4.08Å; Y170-M175 HydrophobicContact CD2-CE 4.37Å; Y170-M175 HydrophobicContact CG-CE 3.94Å; Y170-K249 HydrophobicContact CE1-CD 3.85Å; Y170-L252 WeakPolarHBondContact O-CA 3.41Å; Y170-S253 VanDerWaalsContact CZ-CB 3.42Å; Y170-S253 PolarHBondContact N-O 2.91Å; Y170-S253 PolarHBondContact O-N 3.17Å |
| 171 | V | 97.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.1 | 158.9 | 176.5 | 0 | 0 | 0 | 0 | 106.9 | F139 F154 I155 M157 P173 L221 I227 F229 L252 | F139-V171 HydrophobicContact CD2-CG2 4.23Å; F139-V171 HydrophobicContact CE2-CG2 3.59Å; F139-V171 HydrophobicContact CZ-CG2 4.04Å; F154-V171 WeakPolarHBondContact CA-O 3.17Å; I155-V171 HydrophobicContact CB-CB 4.32Å; I155-V171 PolarHBondContact N-O 2.64Å; I155-V171 PolarHBondContact O-N 3.15Å; M157-V171 HydrophobicContact CG-CB 4.49Å; M157-V171 HydrophobicContact CG-CG2 3.72Å; M157-V171 HydrophobicContact SD-CG2 3.98Å; V171-P173 WeakPolarHBondContact O-CD 3.39Å; V171-L221 HydrophobicContact CG1-CD2 4.23Å; V171-I227 HydrophobicContact CG1-CD1 4.49Å; V171-I227 HydrophobicContact CG1-CG2 3.85Å; V171-I227 HydrophobicContact CG2-CD1 4.05Å; V171-F229 HydrophobicContact CG1-CE1 3.54Å; V171-F229 HydrophobicContact CG1-CZ 3.88Å; V171-L252 HydrophobicContact CB-CD2 4.21Å; V171-L252 HydrophobicContact CG1-CD2 3.92Å; V171-L252 HydrophobicContact CG2-CD2 3.99Å |
| 172 | A | 96.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 92.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F154 Y170 L174 M175 F229 V250 G251 | F154-A172 HydrophobicContact CB-CB 3.9Å; Y170-A172 HydrophobicContact CD2-CB 3.44Å; Y170-A172 VanDerWaalsContact CD2-CB 3.44Å; Y170-A172 HydrophobicContact CE2-CB 3.77Å; Y170-A172 HydrophobicContact CG-CB 4.4Å; A172-L174 VanDerWaalsContact C-N 3.28Å; A172-M175 HydrophobicContact CB-CB 3.94Å; A172-M175 HydrophobicContact CB-CE 4.35Å; A172-F229 WeakPolarHBondContact O-CE2 3.27Å; A172-V250 WeakPolarHBondContact O-CA 3.46Å; A172-G251 PolarHBondContact N-O 3.13Å; A172-G251 PolarHBondContact O-N 3Å |
| 173 | P | 97.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | -38.5 | 167.9 | 27.3 | -36.6 | 0 | 0 | 0 | 111.2 | G153 V171 W201 F217 A219 F229 Y231 V250 | G153-P173 WeakPolarHBondContact O-CD 3.01Å; G153-P173 WeakPolarHBondContact O-CG 3.2Å; V171-P173 WeakPolarHBondContact O-CD 3.39Å; P173-W201 HydrophobicContact CG-CE3 4.4Å; P173-W201 HydrophobicContact CG-CH2 4.21Å; P173-W201 HydrophobicContact CG-CZ3 3.69Å; P173-F217 HydrophobicContact CB-CD2 4.02Å; P173-F217 HydrophobicContact CB-CE2 4.43Å; P173-F217 HydrophobicContact CG-CD2 3.91Å; P173-F217 HydrophobicContact CG-CE2 3.92Å; P173-A219 HydrophobicContact CB-CB 4.25Å; P173-A219 HydrophobicContact CG-CB 3.82Å; P173-F229 HydrophobicContact CB-CB 4.15Å; P173-F229 HydrophobicContact CB-CD1 3.69Å; P173-F229 HydrophobicContact CB-CD2 4.23Å; P173-F229 HydrophobicContact CB-CE1 4.12Å; P173-F229 HydrophobicContact CB-CG 3.77Å; P173-Y231 VanDerWaalsContact O-CE1 3.29Å; P173-Y231 WeakPolarHBondContact O-CE1 3.44Å; P173-Y231 VanDerWaalsContact O-CZ 3.29Å; P173-Y231 PolarHBondContact O-OH 3.5Å; P173-V250 WeakPolarHBondContact O-CG1 3.36Å |
| 174 | L | 96.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 92.4 | 168.9 | -175.9 | 54.8 | 0 | 0 | 0 | 109 | G153 A172 A176 F178 F215 F217 Y231 V238 V250 | G153-L174 CarbonylContact C-O 3.59Å; G153-L174 VanDerWaalsContact CA-O 3.29Å; G153-L174 WeakPolarHBondContact CA-O 3.29Å; G153-L174 CarbonylContact O-C 3.57Å; G153-L174 VanDerWaalsContact O-C 3.3Å; G153-L174 PolarHBondContact O-N 2.83Å; G153-L174 VanDerWaalsContact O-O 3.07Å; A172-L174 VanDerWaalsContact C-N 3.28Å; L174-A176 PolarHBondContact O-N 2.64Å; L174-F178 HydrophobicContact CB-CE2 4.33Å; L174-F178 HydrophobicContact CD2-CE2 4.02Å; L174-F178 HydrophobicContact CD2-CZ 3.66Å; L174-F178 HydrophobicContact CG-CE2 3.84Å; L174-F178 HydrophobicContact CG-CZ 3.99Å; L174-F178 WeakPolarHBondContact O-CE2 3.5Å; L174-F215 HydrophobicContact CD2-CD1 3.98Å; L174-F215 HydrophobicContact CD2-CE1 4.24Å; L174-F217 HydrophobicContact CB-CD2 4.38Å; L174-F217 HydrophobicContact CB-CE1 4.34Å; L174-F217 HydrophobicContact CB-CE2 4.06Å; L174-F217 HydrophobicContact CB-CZ 4.04Å; L174-F217 HydrophobicContact CD2-CE1 4.34Å; L174-Y231 HydrophobicContact CB-CE1 4.36Å; L174-V238 HydrophobicContact CD1-CG1 3.98Å; L174-V238 HydrophobicContact CD1-CG2 3.91Å; L174-V250 HydrophobicContact CD1-CG2 3.73Å |
| 175 | M | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 118.5 | 173.8 | -177 | -177.6 | -71.9 | 0 | 0 | 108.8 | G152 F154 T166 Y170 A172 P247 V248 K249 | G152-M175 CarbonylContact O-C 3.39Å; G152-M175 VanDerWaalsContact O-CA 3.27Å; G152-M175 WeakPolarHBondContact O-CA 3.13Å; F154-M175 HydrophobicContact CB-CB 4.24Å; F154-M175 HydrophobicContact CB-CE 3.69Å; F154-M175 HydrophobicContact CB-CG 4.46Å; F154-M175 HydrophobicContact CD1-CB 4.33Å; F154-M175 HydrophobicContact CD1-CE 3.56Å; F154-M175 HydrophobicContact CD1-CG 3.73Å; F154-M175 HydrophobicContact CD1-SD 4.31Å; F154-M175 HydrophobicContact CD2-CE 3.42Å; F154-M175 VanDerWaalsContact CD2-CE 3.42Å; F154-M175 HydrophobicContact CE1-CE 3.96Å; F154-M175 HydrophobicContact CE1-CG 4.25Å; F154-M175 HydrophobicContact CE2-CE 3.83Å; F154-M175 HydrophobicContact CG-CE 3.26Å; F154-M175 HydrophobicContact CG-CG 4.26Å; F154-M175 HydrophobicContact CZ-CE 4.09Å; T166-M175 HydrophobicContact CG2-CE 4.34Å; T166-M175 HydrophobicContact CG2-SD 3.91Å; Y170-M175 HydrophobicContact CD1-CE 4.08Å; Y170-M175 HydrophobicContact CD2-CE 4.37Å; Y170-M175 HydrophobicContact CG-CE 3.94Å; A172-M175 HydrophobicContact CB-CB 3.94Å; A172-M175 HydrophobicContact CB-CE 4.35Å; M175-P247 HydrophobicContact SD-CG 4.21Å; M175-V248 VanDerWaalsContact O-CA 3.23Å; M175-V248 WeakPolarHBondContact O-CA 3.47Å; M175-K249 HydrophobicContact CB-CB 4.12Å; M175-K249 VanDerWaalsContact CB-O 3.31Å; M175-K249 WeakPolarHBondContact CB-O 3.21Å; M175-K249 PolarHBondContact N-O 3.01Å; M175-K249 PolarHBondContact O-N 2.55Å; M175-K249 VanDerWaalsContact O-N 3.1Å; M175-K249 HydrophobicContact SD-CB 4.16Å; M175-K249 HydrophobicContact SD-CD 3.99Å; M175-K249 HydrophobicContact SD-CG 4.29Å |
| 176 | A | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -158.4 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G152 L174 F178 L206 I241 V248 | G152-A176 WeakPolarHBondContact CA-O 3.48Å; G152-A176 PolarHBondContact O-N 3.48Å; L174-A176 PolarHBondContact O-N 2.64Å; A176-F178 HydrophobicContact CB-CD2 4Å; A176-F178 HydrophobicContact CB-CE2 3.72Å; A176-F178 HydrophobicContact CB-CZ 4.16Å; A176-F178 PolarHBondContact O-N 3.02Å; A176-L206 HydrophobicContact CB-CD2 3.8Å; A176-I241 HydrophobicContact CB-CG2 4.14Å; A176-V248 HydrophobicContact CB-CG2 4.5Å |
| 177 | N | 93.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | trans | -75.1 | 54.8 | 178.6 | -154.8 | 7.8 | 0 | 0 | 0 | 112.7 | H125 K207 E245 H246 | H125-N177 PolarHBondContact CE1-OD1 2.83Å; H125-N177 PolarHBondContact NE2-OD1 2.97Å; N177-K207 HydrophobicContact CB-CB 4.48Å; N177-K207 WeakPolarHBondContact O-CB 3.4Å; N177-K207 PolarHBondContact O-N 2.67Å; N177-E245 PolarHBondContact ND2-OE2 3.39Å; N177-E245 VanDerWaalsContact ND2-OE2 3.16Å; N177-H246 HydrophobicContact CB-CB 3.71Å | ||
| 178 | F | 94.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.5 | 176.2 | -68.6 | -63.1 | 0 | 0 | 0 | 111.3 | T151 L174 A176 V204 R205 L206 F215 F217 | T151-F178 WeakPolarHBondContact O-CB 3.5Å; L174-F178 HydrophobicContact CB-CE2 4.33Å; L174-F178 HydrophobicContact CD2-CE2 4.02Å; L174-F178 HydrophobicContact CD2-CZ 3.66Å; L174-F178 HydrophobicContact CG-CE2 3.84Å; L174-F178 HydrophobicContact CG-CZ 3.99Å; L174-F178 WeakPolarHBondContact O-CE2 3.5Å; A176-F178 HydrophobicContact CB-CD2 4Å; A176-F178 HydrophobicContact CB-CE2 3.72Å; A176-F178 HydrophobicContact CB-CZ 4.16Å; A176-F178 PolarHBondContact O-N 3.02Å; F178-V204 HydrophobicContact CB-CB 4.49Å; F178-V204 HydrophobicContact CB-CG2 4.37Å; F178-V204 HydrophobicContact CD1-CB 4.32Å; F178-V204 HydrophobicContact CD1-CG2 3.7Å; F178-V204 HydrophobicContact CE1-CG2 4.09Å; F178-V204 HydrophobicContact CG-CG2 3.97Å; F178-R205 WeakPolarHBondContact CA-O 3.11Å; F178-L206 HydrophobicContact CD1-CD2 3.69Å; F178-L206 HydrophobicContact CD1-CG 4.06Å; F178-L206 HydrophobicContact CE1-CD2 3.46Å; F178-L206 VanDerWaalsContact CE1-CD2 3.46Å; F178-L206 HydrophobicContact CE1-CG 3.68Å; F178-L206 HydrophobicContact CG-CD2 4.33Å; F178-L206 HydrophobicContact CZ-CD2 3.95Å; F178-L206 HydrophobicContact CZ-CG 4.47Å; F178-F215 HydrophobicContact CE1-CB 3.79Å; F178-F215 HydrophobicContact CE1-CD1 4.08Å; F178-F215 AromaticContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CE2 4.26Å; F178-F215 AromaticContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CZ-CB 4.13Å; F178-F215 AromaticContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD2 4.42Å; F178-F215 AromaticContact CZ-CG 3.94Å; F178-F215 HydrophobicContact CZ-CG 3.94Å; F178-F217 HydrophobicContact CD2-CE1 4.4Å; F178-F217 HydrophobicContact CD2-CZ 4.13Å; F178-F217 HydrophobicContact CE1-CE1 4.49Å; F178-F217 AromaticContact CE2-CE1 3.73Å; F178-F217 HydrophobicContact CE2-CE1 3.73Å; F178-F217 AromaticContact CE2-CZ 3.67Å; F178-F217 HydrophobicContact CE2-CZ 3.67Å; F178-F217 AromaticContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CZ 4.23Å |
| 179 | D | 94.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 102.4 | 174.7 | -172.3 | -10 | 0 | 0 | 0 | 109.8 | H125 S181 F182 R205 | H125-D179 HydrophobicContact CB-CB 4.43Å; H125-D179 WeakPolarHBondContact CB-OD2 3.44Å; H125-D179 IonicContact CD2-OD2 2.7Å; H125-D179 IonicContact CG-OD2 2.88Å; D179-S181 PolarHBondContact O-N 3.48Å; D179-S181 WeakPolarHBondContact OD1-CB 3.42Å; D179-S181 PolarHBondContact OD1-N 2.97Å; D179-S181 PolarHBondContact OD1-OG 3.2Å; D179-S181 PolarHBondContact OD2-OG 3.17Å; D179-F182 HydrophobicContact CB-CD2 3.57Å; D179-F182 HydrophobicContact CB-CE2 3.39Å; D179-F182 HydrophobicContact CB-CG 4.49Å; D179-F182 HydrophobicContact CB-CZ 4.21Å; D179-F182 WeakPolarHBondContact OD2-CZ 3.44Å; D179-R205 PolarHBondContact N-O 2.92Å |
| 180 | P | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -59.9 | -25.7 | 175.2 | -28.5 | 39.7 | 0 | 0 | 0 | 113.5 | L121 S122 T151 F182 S183 S186 V188 V204 | L121-P180 WeakPolarHBondContact O-CB 3.3Å; L121-P180 VanDerWaalsContact O-CG 3.28Å; L121-P180 WeakPolarHBondContact O-CG 3.28Å; S122-P180 VanDerWaalsContact O-CB 3.29Å; S122-P180 WeakPolarHBondContact O-CB 3.3Å; T151-P180 HydrophobicContact CG2-CG 4.29Å; P180-F182 PolarHBondContact O-N 3.27Å; P180-F182 VanDerWaalsContact O-N 3.11Å; P180-S183 PolarHBondContact O-N 3.16Å; P180-S186 WeakPolarHBondContact O-CB 3.26Å; P180-S186 PolarHBondContact O-OG 3.38Å; P180-V188 HydrophobicContact CG-CG2 4.15Å; P180-V204 HydrophobicContact CB-CG1 4.46Å; P180-V204 HydrophobicContact CG-CG1 4Å |
| 181 | S | 92.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 23.7 Ų | 23.7 | 39% | 0.392 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -63.5 | -20.4 | -175.3 | 77.3 | 0 | 0 | 0 | 0 | 114.5 | N123 D179 S183 | N123-S181 WeakPolarHBondContact O-CB 3.27Å; D179-S181 PolarHBondContact O-N 3.48Å; D179-S181 WeakPolarHBondContact OD1-CB 3.42Å; D179-S181 PolarHBondContact OD1-N 2.97Å; D179-S181 PolarHBondContact OD1-OG 3.2Å; D179-S181 PolarHBondContact OD2-OG 3.17Å; S181-S183 PolarHBondContact O-N 2.63Å |
| 182 | F | 91.6 | Very high | 94 | Very high | 80 Ų | 80 | 25.7 Ų | 25.7 | 35% | 0.351 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -70.7 | -5.8 | 178.5 | -65.6 | -46 | 0 | 0 | 0 | 115 | D179 P180 R205 K207 E210 | D179-F182 HydrophobicContact CB-CD2 3.57Å; D179-F182 HydrophobicContact CB-CE2 3.39Å; D179-F182 HydrophobicContact CB-CG 4.49Å; D179-F182 HydrophobicContact CB-CZ 4.21Å; D179-F182 WeakPolarHBondContact OD2-CZ 3.44Å; P180-F182 PolarHBondContact O-N 3.27Å; P180-F182 VanDerWaalsContact O-N 3.11Å; F182-R205 PolarHBondContact O-NH1 3.24Å; F182-K207 HydrophobicContact CE2-CB 3.96Å; F182-K207 HydrophobicContact CE2-CG 3.99Å; F182-K207 HydrophobicContact CZ-CG 4.05Å; F182-E210 HydrophobicContact CB-CG 4.26Å; F182-E210 HydrophobicContact CD1-CG 4.39Å; F182-E210 HydrophobicContact CD2-CG 3.71Å; F182-E210 HydrophobicContact CE2-CG 4.12Å; F182-E210 WeakPolarHBondContact CE2-OE1 3.16Å; F182-E210 HydrophobicContact CG-CG 3.88Å; F182-E210 WeakPolarHBondContact CZ-OE1 3.36Å |
| 183 | S | 90.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | trans | -147.9 | 132.3 | 177.9 | -155.4 | 0 | 0 | 0 | 0 | 110.9 | P180 S181 N185 S186 R205 | P180-S183 PolarHBondContact O-N 3.16Å; S181-S183 PolarHBondContact O-N 2.63Å; S183-N185 PolarHBondContact O-N 3.32Å; S183-N185 PolarHBondContact OG-N 2.89Å; S183-S186 WeakPolarHBondContact CB-OG 3.49Å; S183-S186 WeakPolarHBondContact O-CB 3.29Å; S183-S186 PolarHBondContact O-N 2.86Å; S183-R205 PolarHBondContact OG-NH1 3.09Å | ||
| 184 | T | 87.8 | Confident | 93.6 | Very high | 130 Ų | 130 | 31.1 Ų | 31.1 | 80% | 0.798 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.2 | 167.2 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 185 | N | 91.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 35 Ų | 35 | 55% | 0.551 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.2 | 175.2 | -65.9 | -35.8 | 0 | 0 | 0 | 113.2 | S183 K203 | S183-N185 PolarHBondContact O-N 3.32Å; S183-N185 PolarHBondContact OG-N 2.89Å; N185-K203 HydrophobicContact CB-CD 4.42Å |
| 186 | S | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -72.7 | 128.9 | 174.1 | -65.1 | 0 | 0 | 0 | 0 | 108.2 | P180 S183 D202 K203 | P180-S186 WeakPolarHBondContact O-CB 3.26Å; P180-S186 PolarHBondContact O-OG 3.38Å; S183-S186 WeakPolarHBondContact CB-OG 3.49Å; S183-S186 WeakPolarHBondContact O-CB 3.29Å; S183-S186 PolarHBondContact O-N 2.86Å; S186-D202 CarbonylContact C-O 3.54Å; S186-D202 WeakPolarHBondContact CA-O 3.4Å; S186-K203 PolarHBondContact OG-O 2.98Å; S186-K203 VanDerWaalsContact OG-O 3.1Å | ||
| 187 | T | 95 | Very high | 93.7 | Very high | 27 Ų | 27 | 36 Ų | 36 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.9 | 174.3 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | I117 D202 | I117-T187 HydrophobicContact CG2-CG2 4.37Å; T187-D202 PolarHBondContact N-O 2.77Å; T187-D202 WeakPolarHBondContact O-CB 3.19Å; T187-D202 PolarHBondContact O-N 3.5Å; T187-D202 WeakPolarHBondContact OG1-CB 3.4Å |
| 188 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114 | 165.3 | -177.1 | 0 | 0 | 0 | 0 | 106.8 | H118 L121 S122 V149 P180 V199 | H118-V188 PolarHBondContact N-O 2.9Å; L121-V188 HydrophobicContact CB-CB 3.87Å; L121-V188 HydrophobicContact CB-CG1 4.16Å; L121-V188 HydrophobicContact CB-CG2 4.15Å; L121-V188 HydrophobicContact CD1-CG1 4.06Å; L121-V188 WeakPolarHBondContact O-CG2 3.33Å; S122-V188 PolarHBondContact OG-N 3.48Å; S122-V188 PolarHBondContact OG-O 2.99Å; V149-V188 HydrophobicContact CG1-CG1 4.13Å; P180-V188 HydrophobicContact CG-CG2 4.15Å; V188-V199 HydrophobicContact CG1-CG2 4.34Å |
| 189 | R | 94.6 | Very high | 94 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 10% | 0.102 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.2 | -176 | 54.5 | 179.9 | 155 | 165.9 | -7.4 | 110.5 | L107 N108 V115 R116 I117 Q200 D202 | L107-R189 HydrophobicContact CD1-CG 4.06Å; N108-R189 PolarHBondContact OD1-NH1 2.95Å; V115-R189 HydrophobicContact CG1-CB 4.27Å; R116-R189 CarbonylContact O-C 3.57Å; R116-R189 VanDerWaalsContact O-CA 3.24Å; R116-R189 WeakPolarHBondContact O-CA 3.19Å; I117-R189 HydrophobicContact CG1-CB 4.1Å; R189-Q200 HydrophobicContact CG-CB 4.06Å; R189-Q200 PolarHBondContact N-O 3.47Å; R189-Q200 PolarHBondContact O-N 2.84Å; R189-D202 IonicContact CZ-OD2 3.75Å; R189-D202 IonicContact NE-OD2 2.71Å; R189-D202 VanDerWaalsContact NH2-CG 3.3Å; R189-D202 IonicContact NH2-OD1 2.91Å; R189-D202 IonicContact NH2-OD2 3.63Å; R189-D202 PolarHBondContact NH2-OD2 2.99Å |
| 190 | Y | 95.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 35 Ų | 35 | 11% | 0.114 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 159.8 | 179.3 | 58.2 | -97 | 0 | 0 | 0 | 111.7 | R116 H118 V131 F197 V198 | R116-Y190 HydrophobicContact CB-CD2 4.28Å; R116-Y190 HydrophobicContact CB-CE2 3.82Å; R116-Y190 HydrophobicContact CG-CE2 4.33Å; R116-Y190 PolarHBondContact N-O 2.91Å; R116-Y190 PolarHBondContact O-N 2.84Å; H118-Y190 HydrophobicContact CB-CE1 4.09Å; V131-Y190 HydrophobicContact CG1-CD2 4.36Å; V131-Y190 HydrophobicContact CG1-CE2 4.03Å; V131-Y190 HydrophobicContact CG2-CE1 4.1Å; V131-Y190 HydrophobicContact CG2-CE2 4.43Å; Y190-F197 AromaticContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CZ 4.34Å; Y190-F197 HydrophobicContact CG-CE2 4.19Å; Y190-F197 HydrophobicContact CG-CZ 4.18Å; Y190-V198 CarbonylContact C-O 3.58Å; Y190-V198 WeakPolarHBondContact CA-O 3.48Å; Y190-V198 VanDerWaalsContact CB-O 3.24Å; Y190-V198 WeakPolarHBondContact CB-O 3.37Å |
| 191 | M | 94.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.6 | -179.7 | -179.1 | -102 | -59 | 0 | 0 | 108.9 | V105 L107 L110 Q114 V115 N193 F197 V198 | V105-M191 HydrophobicContact CG1-CE 3.71Å; L107-M191 HydrophobicContact CD2-CB 3.81Å; L107-M191 HydrophobicContact CD2-CE 3.7Å; L107-M191 HydrophobicContact CD2-CG 4.48Å; L110-M191 HydrophobicContact CD1-CE 3.25Å; L110-M191 HydrophobicContact CD1-CG 4.19Å; L110-M191 HydrophobicContact CD1-SD 4.1Å; Q114-M191 HydrophobicContact CB-CG 4.3Å; V115-M191 HydrophobicContact CG2-CB 4.22Å; V115-M191 HydrophobicContact CG2-CG 4.25Å; M191-N193 HydrophobicContact SD-CB 4.07Å; M191-F197 CarbonylContact O-C 3.56Å; M191-F197 WeakPolarHBondContact O-CA 3.46Å; M191-V198 HydrophobicContact CE-CG2 4.17Å; M191-V198 PolarHBondContact N-O 2.79Å; M191-V198 PolarHBondContact O-N 2.9Å |
| 192 | D | 94.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.8 | 175.4 | -170.8 | -15.6 | 0 | 0 | 0 | 108.5 | S134 G194 F197 | S134-D192 WeakPolarHBondContact CB-OD2 3.38Å; S134-D192 PolarHBondContact N-OD2 2.86Å; S134-D192 PolarHBondContact OG-OD1 2.94Å; S134-D192 PolarHBondContact OG-OD2 3.46Å; S134-D192 VanDerWaalsContact OG-OD2 3.09Å; D192-G194 PolarHBondContact OD1-N 3.18Å; D192-G194 VanDerWaalsContact OD1-N 3.07Å; D192-F197 HydrophobicContact CB-CD2 3.98Å |
| 193 | N | 92.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 33.9 Ų | 33.9 | 43% | 0.428 | 19% | 0.19 | S | C | . | . | trans | -116.6 | 9.7 | -178.1 | 77.2 | 9.8 | 0 | 0 | 0 | 114.9 | M191 T195 L196 | M191-N193 HydrophobicContact SD-CB 4.07Å; N193-T195 PolarHBondContact OD1-N 3.26Å; N193-T195 PolarHBondContact OD1-OG1 2.81Å; N193-L196 PolarHBondContact N-O 3.39Å; N193-L196 VanDerWaalsContact N-O 3.09Å; N193-L196 WeakPolarHBondContact OD1-CB 3.45Å; N193-L196 PolarHBondContact OD1-N 3.22Å; N193-L196 PolarHBondContact OD1-O 2.83Å | ||
| 194 | G | 92.4 | Very high | 95 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 96.3 | -23.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | S134 F135 D192 | S134-G194 WeakPolarHBondContact OG-CA 3.43Å; S134-G194 PolarHBondContact OG-N 3.32Å; F135-G194 WeakPolarHBondContact CB-O 3.39Å; D192-G194 PolarHBondContact OD1-N 3.18Å; D192-G194 VanDerWaalsContact OD1-N 3.07Å |
| 195 | T | 95.3 | Very high | 95.4 | Very high | 81 Ų | 81 | 30.1 Ų | 30.1 | 50% | 0.497 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -133.3 | -15.8 | -176.1 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | N193 S223 | N193-T195 PolarHBondContact OD1-N 3.26Å; N193-T195 PolarHBondContact OD1-OG1 2.81Å; T195-S223 WeakPolarHBondContact O-CB 3.41Å; T195-S223 PolarHBondContact O-N 2.83Å; T195-S223 PolarHBondContact O-OG 3.27Å |
| 196 | L | 95.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 25.5 Ų | 25.5 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.9 | -175.7 | 176 | 64 | 0 | 0 | 0 | 108.2 | V105 N193 V198 A220 L221 H222 | V105-L196 HydrophobicContact CG2-CD2 4.29Å; N193-L196 PolarHBondContact N-O 3.39Å; N193-L196 VanDerWaalsContact N-O 3.09Å; N193-L196 WeakPolarHBondContact OD1-CB 3.45Å; N193-L196 PolarHBondContact OD1-N 3.22Å; N193-L196 PolarHBondContact OD1-O 2.83Å; L196-V198 HydrophobicContact CD1-CG2 4.08Å; L196-V198 HydrophobicContact CD2-CG2 3.94Å; L196-V198 HydrophobicContact CG-CG2 3.78Å; L196-A220 HydrophobicContact CD1-CB 4.02Å; L196-L221 WeakPolarHBondContact CA-O 3.28Å; L196-H222 WeakPolarHBondContact CD1-NE2 3.19Å |
| 197 | F | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.9 | 167.8 | 175.8 | -94.2 | 0 | 0 | 0 | 109 | V131 L133 F135 I147 V149 I155 Y190 M191 D192 V199 A220 L221 | V131-F197 HydrophobicContact CG1-CE2 3.83Å; V131-F197 HydrophobicContact CG1-CZ 4.23Å; L133-F197 HydrophobicContact CD2-CB 3.73Å; L133-F197 HydrophobicContact CD2-CD1 4.03Å; L133-F197 HydrophobicContact CD2-CD2 3.47Å; L133-F197 VanDerWaalsContact CD2-CD2 3.47Å; L133-F197 HydrophobicContact CD2-CE2 4.07Å; L133-F197 HydrophobicContact CD2-CG 3.45Å; L133-F197 VanDerWaalsContact CD2-CG 3.45Å; F135-F197 HydrophobicContact CE1-CB 4.01Å; F135-F197 HydrophobicContact CZ-CB 4.03Å; I147-F197 HydrophobicContact CD1-CD1 4Å; I147-F197 HydrophobicContact CD1-CE1 3.49Å; I147-F197 VanDerWaalsContact CD1-CE1 3.49Å; I147-F197 HydrophobicContact CD1-CE2 4.37Å; I147-F197 HydrophobicContact CD1-CZ 3.71Å; V149-F197 HydrophobicContact CG2-CZ 4.32Å; I155-F197 HydrophobicContact CD1-CE1 4.43Å; Y190-F197 AromaticContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CE2 3.91Å; Y190-F197 HydrophobicContact CD2-CZ 4.34Å; Y190-F197 HydrophobicContact CG-CE2 4.19Å; Y190-F197 HydrophobicContact CG-CZ 4.18Å; M191-F197 CarbonylContact O-C 3.56Å; M191-F197 WeakPolarHBondContact O-CA 3.46Å; D192-F197 HydrophobicContact CB-CD2 3.98Å; F197-V199 HydrophobicContact CE1-CB 4.05Å; F197-V199 HydrophobicContact CE1-CG1 4.16Å; F197-V199 HydrophobicContact CZ-CB 4.38Å; F197-A220 CarbonylContact O-C 3.47Å; F197-A220 WeakPolarHBondContact O-CA 3.29Å; F197-L221 HydrophobicContact CB-CB 4.35Å; F197-L221 HydrophobicContact CD1-CD1 3.98Å; F197-L221 HydrophobicContact CD1-CG 4.22Å; F197-L221 PolarHBondContact N-O 3.5Å; F197-L221 PolarHBondContact O-N 2.83Å |
| 198 | V | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132 | 177.2 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | V105 L107 Y190 M191 L196 Q218 A219 A220 | V105-V198 HydrophobicContact CB-CG1 4.38Å; V105-V198 HydrophobicContact CB-CG2 4.17Å; V105-V198 HydrophobicContact CG1-CG2 4.17Å; V105-V198 HydrophobicContact CG2-CG2 4.02Å; L107-V198 HydrophobicContact CD2-CB 4.49Å; L107-V198 HydrophobicContact CD2-CG1 4.48Å; Y190-V198 CarbonylContact C-O 3.58Å; Y190-V198 WeakPolarHBondContact CA-O 3.48Å; Y190-V198 VanDerWaalsContact CB-O 3.24Å; Y190-V198 WeakPolarHBondContact CB-O 3.37Å; M191-V198 HydrophobicContact CE-CG2 4.17Å; M191-V198 PolarHBondContact N-O 2.79Å; M191-V198 PolarHBondContact O-N 2.9Å; L196-V198 HydrophobicContact CD1-CG2 4.08Å; L196-V198 HydrophobicContact CD2-CG2 3.94Å; L196-V198 HydrophobicContact CG-CG2 3.78Å; V198-Q218 HydrophobicContact CG1-CB 4.42Å; V198-Q218 HydrophobicContact CG1-CG 4.46Å; V198-A219 WeakPolarHBondContact CA-O 3.49Å; V198-A220 HydrophobicContact CG2-CB 3.98Å |
| 199 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.1 | 167.1 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | V149 I155 V188 F197 W201 Q218 A219 | V149-V199 HydrophobicContact CG1-CG2 3.74Å; I155-V199 HydrophobicContact CD1-CG1 3.62Å; I155-V199 HydrophobicContact CG1-CG1 4.05Å; V188-V199 HydrophobicContact CG1-CG2 4.34Å; F197-V199 HydrophobicContact CE1-CB 4.05Å; F197-V199 HydrophobicContact CE1-CG1 4.16Å; F197-V199 HydrophobicContact CZ-CB 4.38Å; V199-W201 HydrophobicContact CB-CH2 4.31Å; V199-W201 HydrophobicContact CB-CZ3 4.31Å; V199-W201 HydrophobicContact CG1-CE3 4.48Å; V199-W201 HydrophobicContact CG1-CH2 3.48Å; V199-W201 VanDerWaalsContact CG1-CH2 3.48Å; V199-W201 HydrophobicContact CG1-CZ2 4.39Å; V199-W201 HydrophobicContact CG1-CZ3 3.53Å; V199-W201 HydrophobicContact CG2-CD2 4.39Å; V199-W201 HydrophobicContact CG2-CE3 4.22Å; V199-W201 HydrophobicContact CG2-CH2 3.82Å; V199-W201 HydrophobicContact CG2-CZ2 3.98Å; V199-W201 HydrophobicContact CG2-CZ3 3.95Å; V199-Q218 CarbonylContact O-C 3.58Å; V199-Q218 VanDerWaalsContact O-CA 3.23Å; V199-Q218 WeakPolarHBondContact O-CA 3.08Å; V199-A219 HydrophobicContact CG1-CB 4.05Å; V199-A219 PolarHBondContact N-O 3.41Å; V199-A219 PolarHBondContact O-N 2.81Å |
| 200 | Q | 97.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.8 | 176.4 | -175.4 | 177.8 | -36.9 | 0 | 0 | 109.6 | L107 R189 D202 Q218 | L107-Q200 HydrophobicContact CD1-CB 3.75Å; R189-Q200 HydrophobicContact CG-CB 4.06Å; R189-Q200 PolarHBondContact N-O 3.47Å; R189-Q200 PolarHBondContact O-N 2.84Å; Q200-D202 HydrophobicContact CG-CB 4.16Å; Q200-D202 VanDerWaalsContact NE2-CG 3.27Å; Q200-D202 PolarHBondContact NE2-OD1 3.01Å; Q200-Q218 HydrophobicContact CB-CG 3.71Å; Q200-Q218 HydrophobicContact CG-CG 3.68Å |
| 201 | W | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 103.5 | 161.9 | -65.3 | -97.8 | 0 | 0 | 0 | 106.7 | V149 A150 I155 P173 V199 V204 T216 F217 A219 | V149-W201 HydrophobicContact CG1-CZ2 3.98Å; A150-W201 PolarHBondContact O-NE1 3.1Å; I155-W201 HydrophobicContact CG1-CH2 4.07Å; P173-W201 HydrophobicContact CG-CE3 4.4Å; P173-W201 HydrophobicContact CG-CH2 4.21Å; P173-W201 HydrophobicContact CG-CZ3 3.69Å; V199-W201 HydrophobicContact CB-CH2 4.31Å; V199-W201 HydrophobicContact CB-CZ3 4.31Å; V199-W201 HydrophobicContact CG1-CE3 4.48Å; V199-W201 HydrophobicContact CG1-CH2 3.48Å; V199-W201 VanDerWaalsContact CG1-CH2 3.48Å; V199-W201 HydrophobicContact CG1-CZ2 4.39Å; V199-W201 HydrophobicContact CG1-CZ3 3.53Å; V199-W201 HydrophobicContact CG2-CD2 4.39Å; V199-W201 HydrophobicContact CG2-CE3 4.22Å; V199-W201 HydrophobicContact CG2-CH2 3.82Å; V199-W201 HydrophobicContact CG2-CZ2 3.98Å; V199-W201 HydrophobicContact CG2-CZ3 3.95Å; W201-V204 HydrophobicContact CB-CG1 3.98Å; W201-V204 HydrophobicContact CB-CG2 3.92Å; W201-T216 WeakPolarHBondContact O-CA 3.37Å; W201-F217 HydrophobicContact CB-CD1 4.5Å; W201-F217 HydrophobicContact CB-CD2 4.49Å; W201-F217 HydrophobicContact CB-CE1 4.01Å; W201-F217 HydrophobicContact CB-CE2 4Å; W201-F217 HydrophobicContact CB-CZ 3.74Å; W201-F217 HydrophobicContact CD2-CD2 4.42Å; W201-F217 AromaticContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CZ 4.1Å; W201-F217 AromaticContact CE3-CD2 3.73Å; W201-F217 HydrophobicContact CE3-CD2 3.73Å; W201-F217 AromaticContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CZ 4.2Å; W201-F217 AromaticContact CG-CE2 3.99Å; W201-F217 HydrophobicContact CG-CE2 3.99Å; W201-F217 AromaticContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CZ3-CD2 4.36Å; W201-F217 HydrophobicContact CZ3-CE2 4.03Å; W201-F217 PolarHBondContact N-O 2.99Å; W201-F217 PolarHBondContact O-N 2.88Å; W201-F217 VanDerWaalsContact O-N 3.16Å; W201-A219 HydrophobicContact CZ3-CB 4.31Å |
| 202 | D | 96.8 | Very high | 93.7 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.5 | -173.3 | -168.3 | 42.3 | 0 | 0 | 0 | 110.4 | S186 T187 R189 Q200 V204 T216 | S186-D202 CarbonylContact C-O 3.54Å; S186-D202 WeakPolarHBondContact CA-O 3.4Å; T187-D202 PolarHBondContact N-O 2.77Å; T187-D202 WeakPolarHBondContact O-CB 3.19Å; T187-D202 PolarHBondContact O-N 3.5Å; T187-D202 WeakPolarHBondContact OG1-CB 3.4Å; R189-D202 IonicContact CZ-OD2 3.75Å; R189-D202 IonicContact NE-OD2 2.71Å; R189-D202 VanDerWaalsContact NH2-CG 3.3Å; R189-D202 IonicContact NH2-OD1 2.91Å; R189-D202 IonicContact NH2-OD2 3.63Å; R189-D202 PolarHBondContact NH2-OD2 2.99Å; Q200-D202 HydrophobicContact CG-CB 4.16Å; Q200-D202 VanDerWaalsContact NE2-CG 3.27Å; Q200-D202 PolarHBondContact NE2-OD1 3.01Å; D202-V204 PolarHBondContact O-N 3.1Å; D202-V204 VanDerWaalsContact O-N 3.13Å; D202-T216 WeakPolarHBondContact OD1-CG2 3.4Å |
| 203 | K | 95.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 44.9 Ų | 44.9 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.1 | 29.9 | 178.3 | -57.7 | 178.2 | -178.9 | 175.6 | 0 | 115.8 | N185 S186 P214 F215 T216 | N185-K203 HydrophobicContact CB-CD 4.42Å; S186-K203 PolarHBondContact OG-O 2.98Å; S186-K203 VanDerWaalsContact OG-O 3.1Å; K203-P214 HydrophobicContact CB-CB 3.84Å; K203-P214 HydrophobicContact CG-CB 4.25Å; K203-F215 CarbonylContact C-O 3.49Å; K203-F215 VanDerWaalsContact CA-O 3.24Å; K203-F215 WeakPolarHBondContact CA-O 3.38Å; K203-F215 PolarHBondContact N-O 2.86Å; K203-T216 PolarHBondContact N-OG1 3.45Å |
| 204 | V | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 148.1 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | F178 P180 W201 D202 F215 F217 | F178-V204 HydrophobicContact CB-CB 4.49Å; F178-V204 HydrophobicContact CB-CG2 4.37Å; F178-V204 HydrophobicContact CD1-CB 4.32Å; F178-V204 HydrophobicContact CD1-CG2 3.7Å; F178-V204 HydrophobicContact CE1-CG2 4.09Å; F178-V204 HydrophobicContact CG-CG2 3.97Å; P180-V204 HydrophobicContact CB-CG1 4.46Å; P180-V204 HydrophobicContact CG-CG1 4Å; W201-V204 HydrophobicContact CB-CG1 3.98Å; W201-V204 HydrophobicContact CB-CG2 3.92Å; D202-V204 PolarHBondContact O-N 3.1Å; D202-V204 VanDerWaalsContact O-N 3.13Å; V204-F215 HydrophobicContact CG2-CB 4.12Å; V204-F215 PolarHBondContact N-O 2.87Å; V204-F215 PolarHBondContact O-N 2.8Å; V204-F217 HydrophobicContact CG2-CE1 4.02Å |
| 205 | R | 94.8 | Very high | 94 | Very high | 64 Ų | 64 | 41 Ų | 41 | 24% | 0.242 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147 | -178.4 | -68.6 | -169 | 174.6 | 107.7 | 9 | 111.4 | F178 D179 F182 S183 E210 | F178-R205 WeakPolarHBondContact CA-O 3.11Å; D179-R205 PolarHBondContact N-O 2.92Å; F182-R205 PolarHBondContact O-NH1 3.24Å; S183-R205 PolarHBondContact OG-NH1 3.09Å; R205-E210 WeakPolarHBondContact CD-O 3.28Å |
| 206 | L | 93.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 133.8 | 169.9 | -73.2 | 171.6 | 0 | 0 | 0 | 109.3 | A176 F178 R209 E210 F215 I241 | A176-L206 HydrophobicContact CB-CD2 3.8Å; F178-L206 HydrophobicContact CD1-CD2 3.69Å; F178-L206 HydrophobicContact CD1-CG 4.06Å; F178-L206 HydrophobicContact CE1-CD2 3.46Å; F178-L206 VanDerWaalsContact CE1-CD2 3.46Å; F178-L206 HydrophobicContact CE1-CG 3.68Å; F178-L206 HydrophobicContact CG-CD2 4.33Å; F178-L206 HydrophobicContact CZ-CD2 3.95Å; F178-L206 HydrophobicContact CZ-CG 4.47Å; L206-R209 HydrophobicContact CB-CB 4.28Å; L206-R209 CarbonylContact O-C 3.5Å; L206-R209 PolarHBondContact O-N 3.18Å; L206-E210 PolarHBondContact O-N 3.39Å; L206-F215 HydrophobicContact CD1-CE1 4.49Å; L206-F215 HydrophobicContact CD1-CE2 3.51Å; L206-F215 HydrophobicContact CD1-CZ 3.49Å; L206-F215 VanDerWaalsContact CD1-CZ 3.49Å; L206-F215 HydrophobicContact CG-CD2 4.3Å; L206-F215 HydrophobicContact CG-CE2 3.71Å; L206-F215 HydrophobicContact CG-CZ 4.11Å; L206-I241 HydrophobicContact CD1-CD1 4.03Å; L206-I241 HydrophobicContact CD1-CG1 3.91Å; L206-I241 HydrophobicContact CD1-CG2 4.08Å; L206-I241 HydrophobicContact CD2-CG2 4Å |
| 207 | K | 89.6 | Confident | 94.2 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 140.4 | 171.1 | -171.8 | -179.5 | 169.6 | -147.9 | 0 | 111 | N177 F182 R209 E245 | N177-K207 HydrophobicContact CB-CB 4.48Å; N177-K207 WeakPolarHBondContact O-CB 3.4Å; N177-K207 PolarHBondContact O-N 2.67Å; F182-K207 HydrophobicContact CE2-CB 3.96Å; F182-K207 HydrophobicContact CE2-CG 3.99Å; F182-K207 HydrophobicContact CZ-CG 4.05Å; K207-R209 PolarHBondContact O-N 3.47Å; K207-E245 IonicContact NZ-OE1 3.5Å; K207-E245 IonicContact NZ-OE2 3.09Å; K207-E245 PolarHBondContact NZ-OE2 2.96Å |
| 208 | D | 87 | Confident | 94.2 | Very high | 101 Ų | 101 | 36.3 Ų | 36.3 | 54% | 0.54 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 2.7 | -177.2 | -47.3 | -51.8 | 0 | 0 | 0 | 114.7 | E210 | D208-E210 PolarHBondContact N-OE1 2.7Š|
| 209 | R | 87.8 | Confident | 94.3 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 23% | 0.226 | 18% | 0.178 | C | C | . | . | trans | -139.7 | 34.3 | -178.7 | -60.1 | -175.3 | 73.6 | -176.3 | 4 | 112.1 | L206 K207 N211 E212 K240 | L206-R209 HydrophobicContact CB-CB 4.28Å; L206-R209 CarbonylContact O-C 3.5Å; L206-R209 PolarHBondContact O-N 3.18Å; K207-R209 PolarHBondContact O-N 3.47Å; R209-N211 PolarHBondContact O-N 3.06Å; R209-N211 VanDerWaalsContact O-N 3.17Å; R209-E212 HydrophobicContact CB-CG 4.39Å; R209-E212 IonicContact CZ-OE1 3Å; R209-E212 IonicContact CZ-OE2 3.56Å; R209-E212 VanDerWaalsContact CZ-OE2 3.3Å; R209-E212 VanDerWaalsContact NE-CD 3.27Å; R209-E212 IonicContact NE-OE1 2.83Å; R209-E212 PolarHBondContact NE-OE1 3.13Å; R209-E212 IonicContact NE-OE2 2.8Å; R209-E212 PolarHBondContact NE-OE2 3.41Å; R209-E212 IonicContact NH2-OE1 3.59Å; R209-E212 PolarHBondContact NH2-OE1 3.06Å; R209-E212 IonicContact NH2-OE2 3.82Å; R209-E212 PolarHBondContact NH2-OE2 2.91Å; R209-E212 PolarHBondContact O-N 2.85Å; R209-E212 VanDerWaalsContact O-N 3.13Å; R209-K240 PolarHBondContact NH1-O 2.99Å | ||
| 210 | E | 89 | Confident | 94.3 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -62.4 | -29.2 | -173 | -58.3 | 77.3 | -168.4 | 0 | 0 | 112.5 | F182 R205 L206 D208 E212 | F182-E210 HydrophobicContact CB-CG 4.26Å; F182-E210 HydrophobicContact CD1-CG 4.39Å; F182-E210 HydrophobicContact CD2-CG 3.71Å; F182-E210 HydrophobicContact CE2-CG 4.12Å; F182-E210 WeakPolarHBondContact CE2-OE1 3.16Å; F182-E210 HydrophobicContact CG-CG 3.88Å; F182-E210 WeakPolarHBondContact CZ-OE1 3.36Å; R205-E210 WeakPolarHBondContact CD-O 3.28Å; L206-E210 PolarHBondContact O-N 3.39Å; D208-E210 PolarHBondContact N-OE1 2.7Å; E210-E212 VanDerWaalsContact C-N 3.28Å; E210-E212 PolarHBondContact O-N 2.88Å |
| 211 | N | 89.1 | Confident | 94.3 | Very high | 165 Ų | 165 | 36.1 Ų | 36.1 | 88% | 0.882 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -75 | -13.1 | -178.6 | -63.6 | -32.4 | 0 | 0 | 0 | 113.8 | R209 G213 | R209-N211 PolarHBondContact O-N 3.06Å; R209-N211 VanDerWaalsContact O-N 3.17Å; N211-G213 VanDerWaalsContact C-N 3.32Å |
| 212 | E | 90.2 | Very high | 94.3 | Very high | 88 Ų | 88 | 38.8 Ų | 38.8 | 41% | 0.411 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -83.2 | -12.5 | -176.3 | -63.2 | -164.4 | -151.3 | 0 | 0 | 113.6 | R209 E210 P235 V236 | R209-E212 HydrophobicContact CB-CG 4.39Å; R209-E212 IonicContact CZ-OE1 3Å; R209-E212 IonicContact CZ-OE2 3.56Å; R209-E212 VanDerWaalsContact CZ-OE2 3.3Å; R209-E212 VanDerWaalsContact NE-CD 3.27Å; R209-E212 IonicContact NE-OE1 2.83Å; R209-E212 PolarHBondContact NE-OE1 3.13Å; R209-E212 IonicContact NE-OE2 2.8Å; R209-E212 PolarHBondContact NE-OE2 3.41Å; R209-E212 IonicContact NH2-OE1 3.59Å; R209-E212 PolarHBondContact NH2-OE1 3.06Å; R209-E212 IonicContact NH2-OE2 3.82Å; R209-E212 PolarHBondContact NH2-OE2 2.91Å; R209-E212 PolarHBondContact O-N 2.85Å; R209-E212 VanDerWaalsContact O-N 3.13Å; E210-E212 VanDerWaalsContact C-N 3.28Å; E210-E212 PolarHBondContact O-N 2.88Å; E212-P235 WeakPolarHBondContact O-CB 3.17Å; E212-V236 HydrophobicContact CB-CG2 3.71Å; E212-V236 HydrophobicContact CG-CG2 4.5Å; E212-V236 WeakPolarHBondContact OE2-CG2 3.45Å |
| 213 | G | 92.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | trans | 124.2 | 170.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | N211 | N211-G213 VanDerWaalsContact C-N 3.32Š| ||
| 214 | P | 95.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | trans | -83.5 | 146 | 178.5 | 32.6 | -30.5 | 0 | 0 | 0 | 111.9 | K203 E233 P235 | K203-P214 HydrophobicContact CB-CB 3.84Å; K203-P214 HydrophobicContact CG-CB 4.25Å; P214-E233 WeakPolarHBondContact O-CG 3.36Å; P214-P235 WeakPolarHBondContact O-CD 3.32Å | ||
| 215 | F | 97.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.2 | 170.3 | -71.5 | -107.6 | 0 | 0 | 0 | 109.5 | L174 F178 K203 V204 L206 F217 E233 V234 P235 V236 I241 | L174-F215 HydrophobicContact CD2-CD1 3.98Å; L174-F215 HydrophobicContact CD2-CE1 4.24Å; F178-F215 HydrophobicContact CE1-CB 3.79Å; F178-F215 HydrophobicContact CE1-CD1 4.08Å; F178-F215 AromaticContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CD2 3.69Å; F178-F215 HydrophobicContact CE1-CE2 4.26Å; F178-F215 AromaticContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CE1-CG 3.58Å; F178-F215 HydrophobicContact CZ-CB 4.13Å; F178-F215 AromaticContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD1 3.99Å; F178-F215 HydrophobicContact CZ-CD2 4.42Å; F178-F215 AromaticContact CZ-CG 3.94Å; F178-F215 HydrophobicContact CZ-CG 3.94Å; K203-F215 CarbonylContact C-O 3.49Å; K203-F215 VanDerWaalsContact CA-O 3.24Å; K203-F215 WeakPolarHBondContact CA-O 3.38Å; K203-F215 PolarHBondContact N-O 2.86Å; V204-F215 HydrophobicContact CG2-CB 4.12Å; V204-F215 PolarHBondContact N-O 2.87Å; V204-F215 PolarHBondContact O-N 2.8Å; L206-F215 HydrophobicContact CD1-CE1 4.49Å; L206-F215 HydrophobicContact CD1-CE2 3.51Å; L206-F215 HydrophobicContact CD1-CZ 3.49Å; L206-F215 VanDerWaalsContact CD1-CZ 3.49Å; L206-F215 HydrophobicContact CG-CD2 4.3Å; L206-F215 HydrophobicContact CG-CE2 3.71Å; L206-F215 HydrophobicContact CG-CZ 4.11Å; F215-F217 HydrophobicContact CB-CD1 4.18Å; F215-F217 HydrophobicContact CB-CE1 4.12Å; F215-E233 WeakPolarHBondContact CA-O 3.2Å; F215-V234 HydrophobicContact CD1-CG1 4.31Å; F215-V234 HydrophobicContact CE1-CG1 3.95Å; F215-P235 HydrophobicContact CD2-CG 3.99Å; F215-P235 HydrophobicContact CE1-CG 4.48Å; F215-P235 HydrophobicContact CE2-CG 3.71Å; F215-P235 HydrophobicContact CG-CG 4.49Å; F215-P235 HydrophobicContact CZ-CG 3.99Å; F215-V236 HydrophobicContact CZ-CB 3.96Å; F215-V236 HydrophobicContact CZ-CG2 4.14Å; F215-I241 HydrophobicContact CE1-CD1 4.45Å |
| 216 | T | 97.4 | Very high | 94.5 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 114.4 | 174.4 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | W104 W201 D202 K203 K232 E233 | W104-T216 HydrophobicContact CH2-CG2 4.15Å; W201-T216 WeakPolarHBondContact O-CA 3.37Å; D202-T216 WeakPolarHBondContact OD1-CG2 3.4Å; K203-T216 PolarHBondContact N-OG1 3.45Å; T216-K232 HydrophobicContact CG2-CB 4.09Å; T216-K232 HydrophobicContact CG2-CD 4.25Å; T216-K232 WeakPolarHBondContact O-CB 3.35Å; T216-K232 PolarHBondContact O-N 2.65Å; T216-E233 PolarHBondContact N-O 3.17Å; T216-E233 PolarHBondContact O-N 2.93Å |
| 217 | F | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 161.7 | -178.6 | 58.7 | -87.3 | 0 | 0 | 0 | 111.4 | P173 L174 F178 W201 V204 F215 N230 Y231 | P173-F217 HydrophobicContact CB-CD2 4.02Å; P173-F217 HydrophobicContact CB-CE2 4.43Å; P173-F217 HydrophobicContact CG-CD2 3.91Å; P173-F217 HydrophobicContact CG-CE2 3.92Å; L174-F217 HydrophobicContact CB-CD2 4.38Å; L174-F217 HydrophobicContact CB-CE1 4.34Å; L174-F217 HydrophobicContact CB-CE2 4.06Å; L174-F217 HydrophobicContact CB-CZ 4.04Å; L174-F217 HydrophobicContact CD2-CE1 4.34Å; F178-F217 HydrophobicContact CD2-CE1 4.4Å; F178-F217 HydrophobicContact CD2-CZ 4.13Å; F178-F217 HydrophobicContact CE1-CE1 4.49Å; F178-F217 AromaticContact CE2-CE1 3.73Å; F178-F217 HydrophobicContact CE2-CE1 3.73Å; F178-F217 AromaticContact CE2-CZ 3.67Å; F178-F217 HydrophobicContact CE2-CZ 3.67Å; F178-F217 AromaticContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CE1 3.8Å; F178-F217 HydrophobicContact CZ-CZ 4.23Å; W201-F217 HydrophobicContact CB-CD1 4.5Å; W201-F217 HydrophobicContact CB-CD2 4.49Å; W201-F217 HydrophobicContact CB-CE1 4.01Å; W201-F217 HydrophobicContact CB-CE2 4Å; W201-F217 HydrophobicContact CB-CZ 3.74Å; W201-F217 HydrophobicContact CD2-CD2 4.42Å; W201-F217 AromaticContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CE2 3.7Å; W201-F217 HydrophobicContact CD2-CZ 4.1Å; W201-F217 AromaticContact CE3-CD2 3.73Å; W201-F217 HydrophobicContact CE3-CD2 3.73Å; W201-F217 AromaticContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CE2 3.35Å; W201-F217 HydrophobicContact CE3-CZ 4.2Å; W201-F217 AromaticContact CG-CE2 3.99Å; W201-F217 HydrophobicContact CG-CE2 3.99Å; W201-F217 AromaticContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CG-CZ 3.91Å; W201-F217 HydrophobicContact CZ3-CD2 4.36Å; W201-F217 HydrophobicContact CZ3-CE2 4.03Å; W201-F217 PolarHBondContact N-O 2.99Å; W201-F217 PolarHBondContact O-N 2.88Å; W201-F217 VanDerWaalsContact O-N 3.16Å; V204-F217 HydrophobicContact CG2-CE1 4.02Å; F215-F217 HydrophobicContact CB-CD1 4.18Å; F215-F217 HydrophobicContact CB-CE1 4.12Å; F217-N230 CarbonylContact C-O 3.53Å; F217-N230 WeakPolarHBondContact CA-O 3.48Å; F217-N230 VanDerWaalsContact CB-O 3.29Å; F217-N230 WeakPolarHBondContact CB-O 3.41Å; F217-Y231 HydrophobicContact CB-CD1 3.82Å; F217-Y231 HydrophobicContact CB-CE1 4.35Å |
| 218 | Q | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.9 | -178.1 | -68.2 | -179.2 | -9.3 | 0 | 0 | 111.2 | W104 V105 V198 V199 Q200 F229 N230 | W104-Q218 HydrophobicContact CE3-CG 4.42Å; W104-Q218 HydrophobicContact CH2-CG 3.61Å; W104-Q218 HydrophobicContact CZ2-CG 4.25Å; W104-Q218 HydrophobicContact CZ3-CB 4.26Å; W104-Q218 HydrophobicContact CZ3-CG 3.7Å; V105-Q218 PolarHBondContact O-NE2 3.05Å; V105-Q218 PolarHBondContact O-OE1 3.45Å; V198-Q218 HydrophobicContact CG1-CB 4.42Å; V198-Q218 HydrophobicContact CG1-CG 4.46Å; V199-Q218 CarbonylContact O-C 3.58Å; V199-Q218 VanDerWaalsContact O-CA 3.23Å; V199-Q218 WeakPolarHBondContact O-CA 3.08Å; Q200-Q218 HydrophobicContact CB-CG 3.71Å; Q200-Q218 HydrophobicContact CG-CG 3.68Å; Q218-F229 WeakPolarHBondContact O-CA 3.49Å; Q218-N230 HydrophobicContact CB-CB 4.44Å; Q218-N230 PolarHBondContact N-O 3Å; Q218-N230 PolarHBondContact O-N 2.8Å |
| 219 | A | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I155 P173 V198 V199 W201 I228 F229 | I155-A219 HydrophobicContact CD1-CB 4.3Å; P173-A219 HydrophobicContact CB-CB 4.25Å; P173-A219 HydrophobicContact CG-CB 3.82Å; V198-A219 WeakPolarHBondContact CA-O 3.49Å; V199-A219 HydrophobicContact CG1-CB 4.05Å; V199-A219 PolarHBondContact N-O 3.41Å; V199-A219 PolarHBondContact O-N 2.81Å; W201-A219 HydrophobicContact CZ3-CB 4.31Å; A219-I228 CarbonylContact C-O 3.59Å; A219-I228 WeakPolarHBondContact CA-O 3.31Å; A219-F229 HydrophobicContact CB-CD1 4.2Å; A219-F229 HydrophobicContact CB-CE1 4.37Å |
| 220 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | L196 F197 V198 I227 I228 | L196-A220 HydrophobicContact CD1-CB 4.02Å; F197-A220 CarbonylContact O-C 3.47Å; F197-A220 WeakPolarHBondContact O-CA 3.29Å; V198-A220 HydrophobicContact CG2-CB 3.98Å; A220-I227 CarbonylContact O-C 3.52Å; A220-I227 WeakPolarHBondContact O-CA 3.29Å; A220-I228 HydrophobicContact CB-CB 4.24Å; A220-I228 PolarHBondContact N-O 3.5Å; A220-I228 PolarHBondContact O-N 3.5Å |
| 221 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.7 | 176.8 | -50.4 | -178.8 | 0 | 0 | 0 | 108 | F137 I147 I155 V171 L196 F197 I227 | F137-L221 HydrophobicContact CD1-CD1 4.36Å; F137-L221 HydrophobicContact CD2-CB 3.99Å; F137-L221 HydrophobicContact CE1-CD1 4.38Å; F137-L221 HydrophobicContact CE1-CD2 4.24Å; F137-L221 HydrophobicContact CE2-CB 3.85Å; F137-L221 HydrophobicContact CE2-CD2 4.43Å; F137-L221 HydrophobicContact CG-CB 4.47Å; F137-L221 HydrophobicContact CZ-CB 4.22Å; F137-L221 HydrophobicContact CZ-CD2 3.98Å; I147-L221 HydrophobicContact CD1-CD1 4.46Å; I155-L221 HydrophobicContact CD1-CD1 4.11Å; I155-L221 HydrophobicContact CD1-CG 4.42Å; V171-L221 HydrophobicContact CG1-CD2 4.23Å; L196-L221 WeakPolarHBondContact CA-O 3.28Å; F197-L221 HydrophobicContact CB-CB 4.35Å; F197-L221 HydrophobicContact CD1-CD1 3.98Å; F197-L221 HydrophobicContact CD1-CG 4.22Å; F197-L221 PolarHBondContact N-O 3.5Å; F197-L221 PolarHBondContact O-N 2.83Å; L221-I227 HydrophobicContact CD2-CG1 4Å; L221-I227 HydrophobicContact CD2-CG2 4.04Å |
| 222 | H | 97.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 23.4 Ų | 23.4 | 26% | 0.259 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 145.2 | 176.1 | -72.4 | -107.1 | 0 | 0 | 0 | 110.6 | F137 L196 N224 G225 S226 I228 | F137-H222 VanDerWaalsContact CD2-O 3.26Å; F137-H222 WeakPolarHBondContact CD2-O 3.29Å; F137-H222 WeakPolarHBondContact CE2-O 3.49Å; L196-H222 WeakPolarHBondContact CD1-NE2 3.19Å; H222-N224 WeakPolarHBondContact CB-OD1 3.4Å; H222-N224 PolarHBondContact O-N 3.21Å; H222-N224 VanDerWaalsContact O-N 3.11Å; H222-G225 WeakPolarHBondContact O-CA 3.42Å; H222-G225 PolarHBondContact O-N 2.92Å; H222-S226 PolarHBondContact N-O 2.79Å; H222-I228 WeakPolarHBondContact NE2-CD1 3.47Å |
| 223 | S | 97 | Very high | 97.1 | Very high | 53 Ų | 53 | 22.7 Ų | 22.7 | 37% | 0.371 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.2 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 114.7 | F135 P138 T195 G225 | F135-S223 VanDerWaalsContact CE2-CA 3.49Å; P138-S223 WeakPolarHBondContact CD-O 3.23Å; T195-S223 WeakPolarHBondContact O-CB 3.41Å; T195-S223 PolarHBondContact O-N 2.83Å; T195-S223 PolarHBondContact O-OG 3.27Å; S223-G225 PolarHBondContact O-N 3.12Å |
| 224 | N | 95.9 | Very high | 97.3 | Very high | 100 Ų | 100 | 22.6 Ų | 22.6 | 54% | 0.535 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.8 | 172.4 | 71.3 | -15.9 | 0 | 0 | 0 | 113.7 | H222 S226 | H222-N224 WeakPolarHBondContact CB-OD1 3.4Å; H222-N224 PolarHBondContact O-N 3.21Å; H222-N224 VanDerWaalsContact O-N 3.11Å; N224-S226 PolarHBondContact ND2-OG 3.26Å; N224-S226 WeakPolarHBondContact OD1-CB 3.34Å; N224-S226 PolarHBondContact OD1-N 2.91Å; N224-S226 PolarHBondContact OD1-OG 2.81Å |
| 225 | G | 96.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 92.9 | -4.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H222 S223 | H222-G225 WeakPolarHBondContact O-CA 3.42Å; H222-G225 PolarHBondContact O-N 2.92Å; S223-G225 PolarHBondContact O-N 3.12Å |
| 226 | S | 97.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | trans | -67.4 | 139.8 | 174.3 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | H222 N224 F294 | H222-S226 PolarHBondContact N-O 2.79Å; N224-S226 PolarHBondContact ND2-OG 3.26Å; N224-S226 WeakPolarHBondContact OD1-CB 3.34Å; N224-S226 PolarHBondContact OD1-N 2.91Å; N224-S226 PolarHBondContact OD1-OG 2.81Å; S226-F294 VanDerWaalsContact CA-O 3.29Å; S226-F294 WeakPolarHBondContact CA-O 3.45Å | ||
| 227 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.1 | 176.4 | -57.2 | 170 | 0 | 0 | 0 | 107.8 | Y88 F137 F139 V171 A220 L221 F229 L252 F294 | Y88-I227 HydrophobicContact CE1-CD1 4.12Å; F137-I227 HydrophobicContact CE1-CD1 4.42Å; F137-I227 HydrophobicContact CE2-CG1 4.32Å; F137-I227 HydrophobicContact CZ-CD1 3.86Å; F137-I227 HydrophobicContact CZ-CG1 3.61Å; F139-I227 HydrophobicContact CD2-CD1 4.21Å; F139-I227 HydrophobicContact CE2-CD1 4.17Å; V171-I227 HydrophobicContact CG1-CD1 4.49Å; V171-I227 HydrophobicContact CG1-CG2 3.85Å; V171-I227 HydrophobicContact CG2-CD1 4.05Å; A220-I227 CarbonylContact O-C 3.52Å; A220-I227 WeakPolarHBondContact O-CA 3.29Å; L221-I227 HydrophobicContact CD2-CG1 4Å; L221-I227 HydrophobicContact CD2-CG2 4.04Å; I227-F229 HydrophobicContact CG2-CD1 4.02Å; I227-F229 HydrophobicContact CG2-CE1 3.47Å; I227-F229 VanDerWaalsContact CG2-CE1 3.47Å; I227-F229 HydrophobicContact CG2-CZ 4.24Å; I227-L252 HydrophobicContact CD1-CD1 3.96Å; I227-L252 HydrophobicContact CD1-CD2 3.71Å; I227-L252 HydrophobicContact CG2-CD2 4.49Å; I227-F294 HydrophobicContact CB-CB 4.12Å; I227-F294 HydrophobicContact CB-CD2 4.2Å; I227-F294 HydrophobicContact CB-CG 4.49Å; I227-F294 HydrophobicContact CG2-CD2 4.27Å; I227-F294 PolarHBondContact N-O 2.02Å; I227-F294 WeakPolarHBondContact O-CD2 3.23Å; I227-F294 PolarHBondContact O-N 2.99Å |
| 228 | I | 97.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.2 | 178.1 | -55.2 | 163.6 | 0 | 0 | 0 | 109 | L103 A219 A220 H222 N230 F292 E293 | L103-I228 HydrophobicContact CB-CG2 4.05Å; L103-I228 HydrophobicContact CD1-CG2 4.46Å; L103-I228 HydrophobicContact CD2-CD1 3.72Å; L103-I228 HydrophobicContact CD2-CG1 4.31Å; L103-I228 HydrophobicContact CD2-CG2 4.21Å; L103-I228 HydrophobicContact CG-CG2 4.47Å; A219-I228 CarbonylContact C-O 3.59Å; A219-I228 WeakPolarHBondContact CA-O 3.31Å; A220-I228 HydrophobicContact CB-CB 4.24Å; A220-I228 PolarHBondContact N-O 3.5Å; A220-I228 PolarHBondContact O-N 3.5Å; H222-I228 WeakPolarHBondContact NE2-CD1 3.47Å; I228-N230 WeakPolarHBondContact CG2-ND2 3.41Å; I228-F292 CarbonylContact C-O 3.47Å; I228-F292 VanDerWaalsContact CA-O 3.31Å; I228-F292 WeakPolarHBondContact CA-O 3.32Å; I228-E293 HydrophobicContact CG1-CG 4.43Å |
| 229 | F | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.8 | 167.2 | -58.8 | -17.4 | 0 | 0 | 0 | 108.9 | V171 A172 P173 Q218 A219 I227 Y231 V250 L252 I281 A291 F292 F294 | V171-F229 HydrophobicContact CG1-CE1 3.54Å; V171-F229 HydrophobicContact CG1-CZ 3.88Å; A172-F229 WeakPolarHBondContact O-CE2 3.27Å; P173-F229 HydrophobicContact CB-CB 4.15Å; P173-F229 HydrophobicContact CB-CD1 3.69Å; P173-F229 HydrophobicContact CB-CD2 4.23Å; P173-F229 HydrophobicContact CB-CE1 4.12Å; P173-F229 HydrophobicContact CB-CG 3.77Å; Q218-F229 WeakPolarHBondContact O-CA 3.49Å; A219-F229 HydrophobicContact CB-CD1 4.2Å; A219-F229 HydrophobicContact CB-CE1 4.37Å; I227-F229 HydrophobicContact CG2-CD1 4.02Å; I227-F229 HydrophobicContact CG2-CE1 3.47Å; I227-F229 VanDerWaalsContact CG2-CE1 3.47Å; I227-F229 HydrophobicContact CG2-CZ 4.24Å; F229-Y231 HydrophobicContact CB-CE2 4Å; F229-V250 HydrophobicContact CE2-CG1 4.49Å; F229-L252 HydrophobicContact CZ-CD2 3.88Å; F229-I281 HydrophobicContact CD2-CD1 4.3Å; F229-A291 CarbonylContact O-C 3.58Å; F229-A291 WeakPolarHBondContact O-CA 3.27Å; F229-F292 HydrophobicContact CB-CB 4.37Å; F229-F292 PolarHBondContact N-O 2.02Å; F229-F292 PolarHBondContact O-N 3.01Å; F229-F294 HydrophobicContact CD1-CE2 4.26Å; F229-F294 AromaticContact CD2-CE2 3.4Å; F229-F294 HydrophobicContact CD2-CE2 3.4Å; F229-F294 VanDerWaalsContact CD2-CE2 3.4Å; F229-F294 AromaticContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CE1-CE2 4.22Å; F229-F294 HydrophobicContact CE2-CD2 4.42Å; F229-F294 AromaticContact CE2-CE2 3.36Å; F229-F294 HydrophobicContact CE2-CE2 3.36Å; F229-F294 AromaticContact CE2-CZ 3.5Å; F229-F294 HydrophobicContact CE2-CZ 3.5Å; F229-F294 VanDerWaalsContact CE2-CZ 3.5Å; F229-F294 AromaticContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CZ-CD2 4.48Å; F229-F294 AromaticContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CZ 4.16Å |
| 230 | N | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135 | 174.8 | -68.3 | -72 | 0 | 0 | 0 | 110.7 | L103 W104 F217 Q218 I228 A291 | L103-N230 WeakPolarHBondContact CB-OD1 3.47Å; L103-N230 PolarHBondContact O-ND2 2.8Å; W104-N230 HydrophobicContact CE3-CB 3.65Å; W104-N230 HydrophobicContact CZ3-CB 3.97Å; F217-N230 CarbonylContact C-O 3.53Å; F217-N230 WeakPolarHBondContact CA-O 3.48Å; F217-N230 VanDerWaalsContact CB-O 3.29Å; F217-N230 WeakPolarHBondContact CB-O 3.41Å; Q218-N230 HydrophobicContact CB-CB 4.44Å; Q218-N230 PolarHBondContact N-O 3Å; Q218-N230 PolarHBondContact O-N 2.8Å; I228-N230 WeakPolarHBondContact CG2-ND2 3.41Å; N230-A291 WeakPolarHBondContact OD1-CB 3.41Å |
| 231 | Y | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 106.8 | -178.2 | -57.1 | -80.9 | 0 | 0 | 0 | 109.6 | P173 L174 F217 F229 V234 I286 G289 S290 F292 | P173-Y231 VanDerWaalsContact O-CE1 3.29Å; P173-Y231 WeakPolarHBondContact O-CE1 3.44Å; P173-Y231 VanDerWaalsContact O-CZ 3.29Å; P173-Y231 PolarHBondContact O-OH 3.5Å; L174-Y231 HydrophobicContact CB-CE1 4.36Å; F217-Y231 HydrophobicContact CB-CD1 3.82Å; F217-Y231 HydrophobicContact CB-CE1 4.35Å; F229-Y231 HydrophobicContact CB-CE2 4Å; Y231-V234 HydrophobicContact CD1-CG2 4Å; Y231-V234 HydrophobicContact CG-CG2 4.23Å; Y231-I286 HydrophobicContact CD1-CG2 3.71Å; Y231-I286 HydrophobicContact CD2-CG2 4Å; Y231-I286 HydrophobicContact CE1-CG2 3.68Å; Y231-I286 HydrophobicContact CE2-CG1 4.29Å; Y231-I286 HydrophobicContact CE2-CG2 3.96Å; Y231-I286 HydrophobicContact CG-CG2 3.87Å; Y231-G289 VanDerWaalsContact O-CA 3.27Å; Y231-G289 WeakPolarHBondContact O-CA 2.96Å; Y231-G289 PolarHBondContact O-N 3.44Å; Y231-S290 WeakPolarHBondContact CD2-OG 3.05Å; Y231-S290 PolarHBondContact N-O 3.16Å; Y231-S290 PolarHBondContact O-N 3.36Å; Y231-F292 HydrophobicContact CD2-CD2 4.21Å; Y231-F292 HydrophobicContact CD2-CE2 4.2Å; Y231-F292 AromaticContact CE2-CD2 3.58Å; Y231-F292 HydrophobicContact CE2-CD2 3.58Å; Y231-F292 AromaticContact CE2-CE2 3.7Å; Y231-F292 HydrophobicContact CE2-CE2 3.7Å |
| 232 | K | 95.7 | Very high | 95.2 | Very high | 118 Ų | 118 | 45 Ų | 45 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -46.9 | 178.6 | -176.2 | 169.8 | -176.3 | 170.2 | 0 | 111.4 | W104 T216 | W104-K232 HydrophobicContact CE3-CB 4.38Å; W104-K232 HydrophobicContact CH2-CB 3.68Å; W104-K232 HydrophobicContact CH2-CD 3.85Å; W104-K232 HydrophobicContact CH2-CG 4.41Å; W104-K232 HydrophobicContact CZ2-CB 4.38Å; W104-K232 HydrophobicContact CZ2-CD 3.71Å; W104-K232 HydrophobicContact CZ3-CB 3.68Å; W104-K232 HydrophobicContact CZ3-CD 4.47Å; T216-K232 HydrophobicContact CG2-CB 4.09Å; T216-K232 HydrophobicContact CG2-CD 4.25Å; T216-K232 WeakPolarHBondContact O-CB 3.35Å; T216-K232 PolarHBondContact O-N 2.65Å |
| 233 | E | 96.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 116.3 | -177.9 | -166.3 | 175.1 | -176.9 | 0 | 0 | 109.5 | P214 F215 T216 | P214-E233 WeakPolarHBondContact O-CG 3.36Å; F215-E233 WeakPolarHBondContact CA-O 3.2Å; T216-E233 PolarHBondContact N-O 3.17Å; T216-E233 PolarHBondContact O-N 2.93Å |
| 234 | V | 96.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | trans | -133.1 | 88 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 107 | F215 Y231 V236 I286 S288 | F215-V234 HydrophobicContact CD1-CG1 4.31Å; F215-V234 HydrophobicContact CE1-CG1 3.95Å; Y231-V234 HydrophobicContact CD1-CG2 4Å; Y231-V234 HydrophobicContact CG-CG2 4.23Å; V234-V236 VanDerWaalsContact C-N 3.31Å; V234-V236 WeakPolarHBondContact CG1-O 3.43Å; V234-V236 PolarHBondContact O-N 2.94Å; V234-I286 HydrophobicContact CG2-CG2 4.42Å; V234-S288 PolarHBondContact N-OG 3.42Å; V234-S288 PolarHBondContact O-OG 2.73Å | ||
| 235 | P | 95.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 34% | 0.338 | 25% | 0.248 | S | C | . | . | trans | -73.9 | -23.6 | -172.1 | 27.3 | -34.1 | 0 | 0 | 0 | 113.2 | E212 P214 F215 | E212-P235 WeakPolarHBondContact O-CB 3.17Å; P214-P235 WeakPolarHBondContact O-CD 3.32Å; F215-P235 HydrophobicContact CD2-CG 3.99Å; F215-P235 HydrophobicContact CE1-CG 4.48Å; F215-P235 HydrophobicContact CE2-CG 3.71Å; F215-P235 HydrophobicContact CG-CG 4.49Å; F215-P235 HydrophobicContact CZ-CG 3.99Å | ||
| 236 | V | 93.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -121.1 | 132.1 | -179.2 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | E212 F215 V234 V238 K240 | E212-V236 HydrophobicContact CB-CG2 3.71Å; E212-V236 HydrophobicContact CG-CG2 4.5Å; E212-V236 WeakPolarHBondContact OE2-CG2 3.45Å; F215-V236 HydrophobicContact CZ-CB 3.96Å; F215-V236 HydrophobicContact CZ-CG2 4.14Å; V234-V236 VanDerWaalsContact C-N 3.31Å; V234-V236 WeakPolarHBondContact CG1-O 3.43Å; V234-V236 PolarHBondContact O-N 2.94Å; V236-V238 PolarHBondContact O-N 3.5Å; V236-K240 HydrophobicContact CG1-CB 4.01Å |
| 237 | P | 93.6 | Very high | 92.1 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | trans | -56 | 137.4 | 172 | -23.8 | 32.9 | 0 | 0 | 0 | 111.7 | E239 K240 | P237-E239 PolarHBondContact O-N 3.3Å; P237-K240 HydrophobicContact CB-CG 4.46Å; P237-K240 HydrophobicContact CG-CD 4.33Å; P237-K240 PolarHBondContact O-N 3.48Å | ||
| 238 | V | 93.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -58.1 | -35.8 | -175.2 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | L174 V236 K240 I241 V248 V250 T283 I286 | L174-V238 HydrophobicContact CD1-CG1 3.98Å; L174-V238 HydrophobicContact CD1-CG2 3.91Å; V236-V238 PolarHBondContact O-N 3.5Å; V238-K240 PolarHBondContact O-N 3.06Å; V238-K240 VanDerWaalsContact O-N 3.13Å; V238-I241 HydrophobicContact CB-CD1 4.49Å; V238-I241 HydrophobicContact CG1-CD1 4.48Å; V238-I241 WeakPolarHBondContact O-CB 3.36Å; V238-I241 WeakPolarHBondContact O-CG1 3.35Å; V238-I241 PolarHBondContact O-N 3.05Å; V238-V248 HydrophobicContact CG1-CG1 3.92Å; V238-V250 HydrophobicContact CG1-CG2 4.24Å; V238-T283 HydrophobicContact CG1-CG2 3.91Å; V238-I286 HydrophobicContact CG2-CB 4Å; V238-I286 HydrophobicContact CG2-CD1 4.09Å; V238-I286 HydrophobicContact CG2-CG2 3.89Å |
| 239 | E | 91.1 | Very high | 91.5 | Very high | 134 Ų | 134 | 52.4 Ų | 52.4 | 63% | 0.626 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -59.8 | -23.4 | 176.9 | -57.7 | -176.9 | 154.2 | 0 | 0 | 114.3 | P237 T284 | P237-E239 PolarHBondContact O-N 3.3Å; E239-T284 WeakPolarHBondContact OE1-CG2 3.44Å |
| 240 | K | 90.9 | Very high | 91.4 | Very high | 141 Ų | 141 | 52.8 Ų | 52.8 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -91.4 | -4.5 | -179.4 | -63.7 | -174.2 | -179.3 | 178.6 | 0 | 112.6 | R209 V236 P237 V238 | R209-K240 PolarHBondContact NH1-O 2.99Å; V236-K240 HydrophobicContact CG1-CB 4.01Å; P237-K240 HydrophobicContact CB-CG 4.46Å; P237-K240 HydrophobicContact CG-CD 4.33Å; P237-K240 PolarHBondContact O-N 3.48Å; V238-K240 PolarHBondContact O-N 3.06Å; V238-K240 VanDerWaalsContact O-N 3.13Å |
| 241 | I | 91 | Very high | 91.3 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -75.9 | 136 | -178.7 | -57.5 | 177.2 | 0 | 0 | 0 | 109 | A176 L206 F215 V238 V248 | A176-I241 HydrophobicContact CB-CG2 4.14Å; L206-I241 HydrophobicContact CD1-CD1 4.03Å; L206-I241 HydrophobicContact CD1-CG1 3.91Å; L206-I241 HydrophobicContact CD1-CG2 4.08Å; L206-I241 HydrophobicContact CD2-CG2 4Å; F215-I241 HydrophobicContact CE1-CD1 4.45Å; V238-I241 HydrophobicContact CB-CD1 4.49Å; V238-I241 HydrophobicContact CG1-CD1 4.48Å; V238-I241 WeakPolarHBondContact O-CB 3.36Å; V238-I241 WeakPolarHBondContact O-CG1 3.35Å; V238-I241 PolarHBondContact O-N 3.05Å; I241-V248 HydrophobicContact CB-CG1 4.46Å; I241-V248 HydrophobicContact CB-CG2 4.07Å; I241-V248 HydrophobicContact CG2-CG2 3.64Å |
| 242 | N | 87.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | trans | -72.6 | 131.6 | -179 | -172.8 | 4.7 | 0 | 0 | 0 | 111.2 | T244 | N242-T244 PolarHBondContact ND2-OG1 3.2Å; N242-T244 WeakPolarHBondContact OD1-CG2 3.44Å; N242-T244 PolarHBondContact OD1-N 3.12Å; N242-T244 PolarHBondContact OD1-OG1 3.23Å | ||
| 243 | S | 85.6 | Confident | 91.1 | Very high | 79 Ų | 79 | 47 Ų | 47 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | trans | -103.7 | 1.2 | 178.6 | 59.2 | 0 | 0 | 0 | 0 | 114.7 | H246 | S243-H246 CarbonylContact C-O 3.47Å; S243-H246 VanDerWaalsContact CA-O 3.27Å; S243-H246 WeakPolarHBondContact CA-O 3.34Å | ||
| 244 | T | 83.1 | Confident | 90.9 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 58% | 0.577 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -70.7 | -42.4 | -173.3 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | N242 | N242-T244 PolarHBondContact ND2-OG1 3.2Å; N242-T244 WeakPolarHBondContact OD1-CG2 3.44Å; N242-T244 PolarHBondContact OD1-N 3.12Å; N242-T244 PolarHBondContact OD1-OG1 3.23Å |
| 245 | E | 79.5 | Confident | 90.6 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -89.9 | -23.8 | -178.9 | -65 | -160.3 | 160.6 | 0 | 0 | 113.1 | R126 N177 K207 | R126-E245 PolarHBondContact NH2-O 3.21Å; N177-E245 PolarHBondContact ND2-OE2 3.39Å; N177-E245 VanDerWaalsContact ND2-OE2 3.16Å; K207-E245 IonicContact NZ-OE1 3.5Å; K207-E245 IonicContact NZ-OE2 3.09Å; K207-E245 PolarHBondContact NZ-OE2 2.96Å |
| 246 | H | 83.8 | Confident | 90.3 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -153.9 | 135.7 | -176.1 | -169.1 | -75.1 | 0 | 0 | 0 | 108.9 | N177 S243 F475 | N177-H246 HydrophobicContact CB-CB 3.71Å; S243-H246 CarbonylContact C-O 3.47Å; S243-H246 VanDerWaalsContact CA-O 3.27Å; S243-H246 WeakPolarHBondContact CA-O 3.34Å; H246-F475 AromaticContact NE2-CE2 3.26Å; H246-F475 VanDerWaalsContact NE2-CE2 3.26Å; H246-F475 WeakPolarHBondContact NE2-CE2 3.19Å; H246-F475 AromaticContact NE2-CZ 3.28Å; H246-F475 VanDerWaalsContact NE2-CZ 3.28Å; H246-F475 WeakPolarHBondContact NE2-CZ 3.49Å |
| 247 | P | 87.9 | Confident | 89.8 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | trans | -61.3 | 143.4 | 178.4 | 25.2 | -34.3 | 0 | 0 | 0 | 111.5 | T166 M175 K249 | T166-P247 HydrophobicContact CG2-CG 4.23Å; M175-P247 HydrophobicContact SD-CG 4.21Å; P247-K249 HydrophobicContact CB-CG 4.36Å | ||
| 248 | V | 91.5 | Very high | 89.2 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | trans | -104.5 | 113.7 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | M175 A176 V238 I241 | M175-V248 VanDerWaalsContact O-CA 3.23Å; M175-V248 WeakPolarHBondContact O-CA 3.47Å; A176-V248 HydrophobicContact CB-CG2 4.5Å; V238-V248 HydrophobicContact CG1-CG1 3.92Å; I241-V248 HydrophobicContact CB-CG1 4.46Å; I241-V248 HydrophobicContact CB-CG2 4.07Å; I241-V248 HydrophobicContact CG2-CG2 3.64Å | ||
| 249 | K | 92.9 | Very high | 88.5 | Confident | 55 Ų | 55 | 43 Ų | 43 | 24% | 0.239 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.4 | -177.6 | -61.4 | -179.6 | -178.5 | 176.6 | 0 | 110.2 | T166 A167 Y170 M175 P247 | T166-K249 PolarHBondContact O-NZ 2.81Å; A167-K249 PolarHBondContact O-NZ 3.05Å; Y170-K249 HydrophobicContact CE1-CD 3.85Å; M175-K249 HydrophobicContact CB-CB 4.12Å; M175-K249 VanDerWaalsContact CB-O 3.31Å; M175-K249 WeakPolarHBondContact CB-O 3.21Å; M175-K249 PolarHBondContact N-O 3.01Å; M175-K249 PolarHBondContact O-N 2.55Å; M175-K249 VanDerWaalsContact O-N 3.1Å; M175-K249 HydrophobicContact SD-CB 4.16Å; M175-K249 HydrophobicContact SD-CD 3.99Å; M175-K249 HydrophobicContact SD-CG 4.29Å; P247-K249 HydrophobicContact CB-CG 4.36Å |
| 250 | V | 94.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.6 | 172.6 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | A172 P173 L174 F229 V238 I281 T283 I286 | A172-V250 WeakPolarHBondContact O-CA 3.46Å; P173-V250 WeakPolarHBondContact O-CG1 3.36Å; L174-V250 HydrophobicContact CD1-CG2 3.73Å; F229-V250 HydrophobicContact CE2-CG1 4.49Å; V238-V250 HydrophobicContact CG1-CG2 4.24Å; V250-I281 HydrophobicContact CB-CD1 4.37Å; V250-I281 HydrophobicContact CB-CG1 4.03Å; V250-I281 HydrophobicContact CG1-CD1 3.38Å; V250-I281 HydrophobicContact CG1-CG1 3.56Å; V250-T283 HydrophobicContact CG2-CG2 4.3Å; V250-I286 HydrophobicContact CB-CD1 4.1Å; V250-I286 HydrophobicContact CG1-CD1 3.75Å; V250-I286 HydrophobicContact CG2-CD1 3.81Å |
| 251 | G | 95.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.9 | -148.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A172 V279 | A172-G251 PolarHBondContact N-O 3.13Å; A172-G251 PolarHBondContact O-N 3Å; G251-V279 CarbonylContact C-O 3.46Å; G251-V279 VanDerWaalsContact CA-O 3.27Å; G251-V279 WeakPolarHBondContact CA-O 3.46Å |
| 252 | L | 95.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.7 | -172.5 | -48.6 | 177.2 | 0 | 0 | 0 | 109.8 | Y88 Y140 Y170 V171 I227 F229 R278 V279 F294 | Y88-L252 HydrophobicContact CD1-CD1 4.06Å; Y88-L252 HydrophobicContact CD2-CD1 3.81Å; Y88-L252 HydrophobicContact CE1-CD1 4.36Å; Y88-L252 HydrophobicContact CE2-CD1 4.12Å; Y88-L252 HydrophobicContact CG-CD1 3.78Å; Y140-L252 HydrophobicContact CE2-CB 4.37Å; Y170-L252 WeakPolarHBondContact O-CA 3.41Å; V171-L252 HydrophobicContact CB-CD2 4.21Å; V171-L252 HydrophobicContact CG1-CD2 3.92Å; V171-L252 HydrophobicContact CG2-CD2 3.99Å; I227-L252 HydrophobicContact CD1-CD1 3.96Å; I227-L252 HydrophobicContact CD1-CD2 3.71Å; I227-L252 HydrophobicContact CG2-CD2 4.49Å; F229-L252 HydrophobicContact CZ-CD2 3.88Å; L252-R278 CarbonylContact O-C 3.52Å; L252-R278 WeakPolarHBondContact O-CA 3.28Å; L252-R278 WeakPolarHBondContact O-CG 3Å; L252-V279 HydrophobicContact CB-CB 4.1Å; L252-V279 HydrophobicContact CB-CG2 4.29Å; L252-V279 HydrophobicContact CD1-CG2 4.42Å; L252-V279 HydrophobicContact CG-CB 4.39Å; L252-V279 PolarHBondContact N-O 2.85Å; L252-V279 PolarHBondContact O-N 3.34Å; L252-F294 HydrophobicContact CD1-CB 4.28Å; L252-F294 HydrophobicContact CD1-CD1 3.71Å; L252-F294 HydrophobicContact CD1-CE1 4.28Å; L252-F294 HydrophobicContact CD1-CG 4.03Å; L252-F294 HydrophobicContact CG-CD1 4.17Å; L252-F294 HydrophobicContact CG-CE1 4.25Å |
| 253 | S | 93.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.4 | 171.5 | 168.1 | 0 | 0 | 0 | 0 | 109.6 | Q169 Y170 E275 H277 | Q169-S253 CarbonylContact C-O 3.55Å; Q169-S253 WeakPolarHBondContact CA-O 3.49Å; Y170-S253 VanDerWaalsContact CZ-CB 3.42Å; Y170-S253 PolarHBondContact N-O 2.91Å; Y170-S253 PolarHBondContact O-N 3.17Å; S253-E275 WeakPolarHBondContact CB-OE2 3.49Å; S253-E275 PolarHBondContact OG-OE2 2.91Å; S253-H277 WeakPolarHBondContact CA-O 3.44Å |
| 254 | D | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.1 | 165.8 | -152.7 | 9.6 | 0 | 0 | 0 | 111.9 | F139 Y140 Q169 Y276 H277 R333 | F139-D254 HydrophobicContact CE1-CB 4.16Å; Y140-D254 WeakPolarHBondContact CB-OD2 3.33Å; Y140-D254 HydrophobicContact CD1-CB 3.94Å; Y140-D254 HydrophobicContact CD2-CB 3.61Å; Y140-D254 HydrophobicContact CE1-CB 4.15Å; Y140-D254 HydrophobicContact CE2-CB 3.8Å; Y140-D254 HydrophobicContact CG-CB 3.68Å; Q169-D254 WeakPolarHBondContact CG-OD1 3.34Å; Q169-D254 PolarHBondContact NE2-OD1 3.42Å; Q169-D254 VanDerWaalsContact NE2-OD1 3.16Å; D254-Y276 HydrophobicContact CB-CE1 4.06Å; D254-Y276 HydrophobicContact CB-CE2 4.42Å; D254-Y276 WeakPolarHBondContact CB-OH 3.4Å; D254-Y276 VanDerWaalsContact CG-OH 3.31Å; D254-Y276 PolarHBondContact O-N 3.25Å; D254-Y276 PolarHBondContact OD2-OH 3.22Å; D254-H277 PolarHBondContact N-O 3.49Å; D254-R333 IonicContact OD1-CZ 3.17Å; D254-R333 IonicContact OD1-NE 3.65Å; D254-R333 PolarHBondContact OD1-NE 3.12Å; D254-R333 VanDerWaalsContact OD1-NE 3.12Å; D254-R333 IonicContact OD1-NH2 2.8Å; D254-R333 PolarHBondContact OD1-NH2 2.83Å; D254-R333 IonicContact OD2-CZ 3.76Å; D254-R333 IonicContact OD2-NE 3.41Å; D254-R333 PolarHBondContact OD2-NE 2.96Å; D254-R333 IonicContact OD2-NH2 2.65Å; D254-R333 PolarHBondContact OD2-NH2 3.19Å |
| 255 | A | 90.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 161.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T168 Q169 I273 Y274 | T168-A255 HydrophobicContact CG2-CB 3.97Å; Q169-A255 HydrophobicContact CG-CB 3.87Å; Q169-A255 PolarHBondContact NE2-O 2.97Å; A255-I273 HydrophobicContact CB-CG2 3.65Å; A255-Y274 CarbonylContact C-O 3.55Å; A255-Y274 WeakPolarHBondContact CA-O 3.19Å; A255-Y274 WeakPolarHBondContact CB-O 3.26Å |
| 256 | F | 87.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 153.9 | 168.8 | 69 | -91.9 | 0 | 0 | 0 | 110.4 | A258 Y274 Y276 D332 R335 Y462 | F256-A258 HydrophobicContact CE2-CB 4.37Å; F256-Y274 HydrophobicContact CD2-CD2 4.32Å; F256-Y274 HydrophobicContact CE1-CG 4.43Å; F256-Y274 AromaticContact CE2-CD2 3.62Å; F256-Y274 HydrophobicContact CE2-CD2 3.62Å; F256-Y274 AromaticContact CE2-CG 3.95Å; F256-Y274 HydrophobicContact CE2-CG 3.95Å; F256-Y274 AromaticContact CZ-CD2 3.92Å; F256-Y274 HydrophobicContact CZ-CD2 3.92Å; F256-Y274 AromaticContact CZ-CG 3.76Å; F256-Y274 HydrophobicContact CZ-CG 3.76Å; F256-Y274 PolarHBondContact N-O 3.16Å; F256-Y274 PolarHBondContact O-N 3.12Å; F256-Y276 AromaticContact CD1-CD1 3.96Å; F256-Y276 HydrophobicContact CD1-CD1 3.96Å; F256-D332 WeakPolarHBondContact CB-O 3.42Å; F256-R335 HydrophobicContact CD1-CB 4.38Å; F256-R335 HydrophobicContact CD2-CB 4.24Å; F256-R335 HydrophobicContact CG-CB 4.13Å; F256-Y462 HydrophobicContact CE1-CD2 4.36Å; F256-Y462 HydrophobicContact CE1-CG 4.23Å; F256-Y462 HydrophobicContact CZ-CD2 4.18Å; F256-Y462 HydrophobicContact CZ-CE2 4.24Å; F256-Y462 HydrophobicContact CZ-CG 4.44Å |
| 257 | M | 83.3 | Confident | 78 | Confident | 43 Ų | 43 | 55.9 Ų | 55.9 | 21% | 0.212 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.7 | 174.5 | -79.1 | 169.3 | -75.1 | 0 | 0 | 109.6 | I160 T272 I273 | I160-M257 HydrophobicContact CB-CE 3.95Å; I160-M257 HydrophobicContact CB-SD 4.28Å; I160-M257 HydrophobicContact CD1-CE 3.72Å; I160-M257 HydrophobicContact CD1-SD 4.17Å; I160-M257 HydrophobicContact CG1-CE 4.13Å; M257-T272 WeakPolarHBondContact CA-O 3.49Å; M257-I273 HydrophobicContact CG-CG1 3.96Å |
| 258 | A | 81.8 | Confident | 76.6 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 141.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | F256 T272 Y274 | F256-A258 HydrophobicContact CE2-CB 4.37Å; A258-T272 PolarHBondContact N-O 3.22Å; A258-T272 PolarHBondContact O-N 3.25Å; A258-Y274 HydrophobicContact CB-CD2 4.01Å; A258-Y274 HydrophobicContact CB-CE2 3.7Å |
| 259 | I | 78.3 | Confident | 75.4 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 42% | 0.415 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 106.2 | 172.6 | -61.5 | 169.8 | 0 | 0 | 0 | 107.2 | K269 Q270 R271 | I259-K269 HydrophobicContact CG2-CB 3.71Å; I259-K269 HydrophobicContact CG2-CD 4.04Å; I259-K269 HydrophobicContact CG2-CG 4.01Å; I259-Q270 WeakPolarHBondContact CA-O 3.36Å; I259-R271 HydrophobicContact CG1-CG 4.23Å |
| 260 | L | 70 | Confident | 74.4 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.2 | 174.1 | -63.7 | 174.7 | 0 | 0 | 0 | 109.1 | A262 Q270 | L260-A262 PolarHBondContact O-N 2.03Å; L260-A262 VanDerWaalsContact O-N 3.12Å; L260-Q270 PolarHBondContact N-O 3.09Å; L260-Q270 PolarHBondContact O-N 2.92Å |
| 261 | P | 65.7 | Low | 73.5 | Confident | 115 Ų | 115 | 71.9 Ų | 71.9 | 75% | 0.747 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 118.5 | 167.6 | 24.7 | -29.5 | 0 | 0 | 0 | 107.4 | ||
| 262 | A | 57.4 | Low | 72.8 | Confident | 20 Ų | 20 | 72.3 Ų | 72.3 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 153.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108 | L260 A268 Q270 | L260-A262 PolarHBondContact O-N 2.03Å; L260-A262 VanDerWaalsContact O-N 3.12Å; A262-A268 WeakPolarHBondContact CB-O 3.37Å; A262-A268 PolarHBondContact N-O 3.05Å; A262-Q270 HydrophobicContact CB-CB 4.44Å |
| 263 | S | 56 | Low | 72.1 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 60% | 0.601 | 39% | 0.39 | S | S | * | . | trans | -40.9 | 151 | -179.6 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | L265 S266 | S263-L265 PolarHBondContact O-N 2.81Å; S263-S266 PolarHBondContact O-N 2.97Å; S263-S266 VanDerWaalsContact O-N 3.11Å | ||
| 264 | Q | 56.1 | Low | 71.7 | Confident | 209 Ų | 209 | 74.9 Ų | 74.9 | 98% | 0.977 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 2 | -170.3 | -63.4 | -175.5 | -4 | 0 | 0 | 117.1 | ||
| 265 | L | 56.3 | Low | 71.5 | Confident | 168 Ų | 168 | 75.6 Ų | 75.6 | 88% | 0.88 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -4.3 | -178.9 | -72.6 | 125.5 | 0 | 0 | 0 | 114.2 | S263 | S263-L265 PolarHBondContact O-N 2.81Š|
| 266 | S | 54.4 | Low | 71.4 | Confident | 58 Ų | 58 | 76 Ų | 76 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | trans | -144.5 | 130.8 | 174.9 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | S263 A268 | S263-S266 PolarHBondContact O-N 2.97Å; S263-S266 VanDerWaalsContact O-N 3.11Å; S266-A268 PolarHBondContact O-N 3.31Å | ||
| 267 | D | 56.3 | Low | 71.5 | Confident | 178 Ų | 178 | 75.9 Ų | 75.9 | 95% | 0.952 | 40% | 0.4 | S | S | * | . | trans | -65.5 | 7.8 | 168.8 | -86 | -28.3 | 0 | 0 | 0 | 113.7 | K269 | D267-K269 PolarHBondContact O-N 3.23Š| ||
| 268 | A | 58.9 | Low | 71.9 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 50% | 0.504 | 40% | 0.397 | S | S | . | . | trans | -70.9 | 115.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A262 S266 Q270 | A262-A268 WeakPolarHBondContact CB-O 3.37Å; A262-A268 PolarHBondContact N-O 3.05Å; S266-A268 PolarHBondContact O-N 3.31Å; A268-Q270 PolarHBondContact O-N 3.24Å | ||
| 269 | K | 66 | Low | 72.4 | Confident | 164 Ų | 164 | 75.5 Ų | 75.5 | 71% | 0.713 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 113.5 | 169 | -74.3 | 179.5 | 178.3 | -174 | 0 | 108.7 | I259 D267 | I259-K269 HydrophobicContact CG2-CB 3.71Å; I259-K269 HydrophobicContact CG2-CD 4.04Å; I259-K269 HydrophobicContact CG2-CG 4.01Å; D267-K269 PolarHBondContact O-N 3.23Å |
| 270 | Q | 71.4 | Confident | 72.9 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 46% | 0.458 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.4 | 175.7 | -175.1 | 169.3 | -2.3 | 0 | 0 | 109 | I259 L260 A262 A268 | I259-Q270 WeakPolarHBondContact CA-O 3.36Å; L260-Q270 PolarHBondContact N-O 3.09Å; L260-Q270 PolarHBondContact O-N 2.92Å; A262-Q270 HydrophobicContact CB-CB 4.44Å; A268-Q270 PolarHBondContact O-N 3.24Å |
| 271 | R | 76.3 | Confident | 73.8 | Confident | 145 Ų | 145 | 73.2 Ų | 73.2 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.3 | 172.6 | -64.4 | -177.5 | -177.9 | -155.6 | 0.7 | 108 | I259 | I259-R271 HydrophobicContact CG1-CG 4.23Å |
| 272 | T | 79.6 | Confident | 74.9 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.1 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 108.7 | M257 A258 Y274 E464 | M257-T272 WeakPolarHBondContact CA-O 3.49Å; A258-T272 PolarHBondContact N-O 3.22Å; A258-T272 PolarHBondContact O-N 3.25Å; T272-Y274 HydrophobicContact CG2-CD2 4.3Å; T272-Y274 HydrophobicContact CG2-CE1 4.23Å; T272-Y274 HydrophobicContact CG2-CE2 3.63Å; T272-E464 HydrophobicContact CG2-CG 3.71Å; T272-E464 WeakPolarHBondContact CG2-OE1 3.28Å |
| 273 | I | 80.8 | Confident | 76.5 | Confident | 22 Ų | 22 | 72 Ų | 72 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 132.1 | 178.7 | -48.7 | 176.7 | 0 | 0 | 0 | 108.4 | H162 T168 A255 M257 V465 | H162-I273 WeakPolarHBondContact NE2-CD1 3.44Å; T168-I273 HydrophobicContact CG2-CB 4.35Å; T168-I273 HydrophobicContact CG2-CG2 3.58Å; A255-I273 HydrophobicContact CB-CG2 3.65Å; M257-I273 HydrophobicContact CG-CG1 3.96Å; I273-V465 PolarHBondContact O-N 3.31Å |
| 274 | Y | 85.3 | Confident | 78.2 | Confident | 33 Ų | 33 | 71.5 Ų | 71.5 | 13% | 0.129 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 114.6 | 178.4 | -67.6 | -82.6 | 0 | 0 | 0 | 109.5 | A255 F256 A258 T272 Y462 A463 E464 | A255-Y274 CarbonylContact C-O 3.55Å; A255-Y274 WeakPolarHBondContact CA-O 3.19Å; A255-Y274 WeakPolarHBondContact CB-O 3.26Å; F256-Y274 HydrophobicContact CD2-CD2 4.32Å; F256-Y274 HydrophobicContact CE1-CG 4.43Å; F256-Y274 AromaticContact CE2-CD2 3.62Å; F256-Y274 HydrophobicContact CE2-CD2 3.62Å; F256-Y274 AromaticContact CE2-CG 3.95Å; F256-Y274 HydrophobicContact CE2-CG 3.95Å; F256-Y274 AromaticContact CZ-CD2 3.92Å; F256-Y274 HydrophobicContact CZ-CD2 3.92Å; F256-Y274 AromaticContact CZ-CG 3.76Å; F256-Y274 HydrophobicContact CZ-CG 3.76Å; F256-Y274 PolarHBondContact N-O 3.16Å; F256-Y274 PolarHBondContact O-N 3.12Å; A258-Y274 HydrophobicContact CB-CD2 4.01Å; A258-Y274 HydrophobicContact CB-CE2 3.7Å; T272-Y274 HydrophobicContact CG2-CD2 4.3Å; T272-Y274 HydrophobicContact CG2-CE1 4.23Å; T272-Y274 HydrophobicContact CG2-CE2 3.63Å; Y274-Y462 AromaticContact CD1-CD2 3.75Å; Y274-Y462 HydrophobicContact CD1-CD2 3.75Å; Y274-Y462 AromaticContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CE1-CE2 4.39Å; Y274-Y462 HydrophobicContact CG-CD2 4.16Å; Y274-Y462 HydrophobicContact CG-CE2 4.4Å; Y274-A463 WeakPolarHBondContact CA-O 3.26Å; Y274-E464 HydrophobicContact CD1-CB 4.04Å; Y274-E464 HydrophobicContact CD1-CG 4.49Å; Y274-E464 HydrophobicContact CE1-CB 3.75Å; Y274-E464 HydrophobicContact CE1-CG 3.99Å |
| 275 | E | 88.6 | Confident | 79.9 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121.2 | 172.8 | -179.2 | 175.2 | 68.3 | 0 | 0 | 108.4 | V81 S253 R278 Y462 A463 V465 | V81-E275 HydrophobicContact CG2-CG 4.31Å; S253-E275 WeakPolarHBondContact CB-OE2 3.49Å; S253-E275 PolarHBondContact OG-OE2 2.91Å; E275-R278 IonicContact OE1-NH1 3.33Å; E275-Y462 CarbonylContact O-C 3.52Å; E275-Y462 VanDerWaalsContact O-CA 3.25Å; E275-Y462 WeakPolarHBondContact O-CA 3.29Å; E275-Y462 VanDerWaalsContact O-CB 3.28Å; E275-Y462 WeakPolarHBondContact O-CB 3.39Å; E275-A463 PolarHBondContact N-O 2.84Å; E275-A463 PolarHBondContact O-N 2.88Å; E275-V465 HydrophobicContact CB-CG2 3.83Å |
| 276 | Y | 88.8 | Confident | 81.7 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -18.3 | -179.2 | 67.5 | -99.3 | 0 | 0 | 0 | 113.2 | Y87 Y140 D254 F256 I331 | Y87-Y276 HydrophobicContact CE1-CE2 4.34Å; Y87-Y276 HydrophobicContact CE2-CD2 4.24Å; Y87-Y276 AromaticContact CE2-CE2 3.98Å; Y87-Y276 HydrophobicContact CE2-CE2 3.98Å; Y87-Y276 AromaticContact CZ-CE2 3.79Å; Y140-Y276 HydrophobicContact CD1-CE2 4.01Å; Y140-Y276 HydrophobicContact CE1-CE2 4.45Å; D254-Y276 HydrophobicContact CB-CE1 4.06Å; D254-Y276 HydrophobicContact CB-CE2 4.42Å; D254-Y276 WeakPolarHBondContact CB-OH 3.4Å; D254-Y276 VanDerWaalsContact CG-OH 3.31Å; D254-Y276 PolarHBondContact O-N 3.25Å; D254-Y276 PolarHBondContact OD2-OH 3.22Å; F256-Y276 AromaticContact CD1-CD1 3.96Å; F256-Y276 HydrophobicContact CD1-CD1 3.96Å; Y276-I331 HydrophobicContact CD2-CG2 3.98Å; Y276-I331 HydrophobicContact CG-CG2 3.88Å |
| 277 | H | 91.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141.8 | 175.5 | -169.2 | -91.5 | 0 | 0 | 0 | 111.5 | S84 Y87 Y140 S253 D254 | S84-H277 PolarHBondContact OG-CD2 2.83Å; S84-H277 VanDerWaalsContact OG-CD2 3.24Å; S84-H277 PolarHBondContact OG-NE2 3.09Å; Y87-H277 HydrophobicContact CD2-CB 3.91Å; Y87-H277 AromaticContact CD2-CD2 3.51Å; Y87-H277 AromaticContact CD2-CG 3.5Å; Y87-H277 AromaticContact CD2-ND1 3.88Å; Y87-H277 AromaticContact CD2-NE2 3.84Å; Y87-H277 HydrophobicContact CE2-CB 3.9Å; Y87-H277 AromaticContact CE2-CD2 3.85Å; Y87-H277 AromaticContact CE2-CG 3.91Å; Y140-H277 HydrophobicContact CD1-CB 4.5Å; Y140-H277 HydrophobicContact CE1-CB 3.66Å; Y140-H277 AromaticContact CE1-CG 3.67Å; Y140-H277 AromaticContact CE1-ND1 3.29Å; Y140-H277 VanDerWaalsContact CE1-ND1 3.29Å; Y140-H277 WeakPolarHBondContact CE1-ND1 3.48Å; Y140-H277 AromaticContact CZ-ND1 3.54Å; Y140-H277 PolarHBondContact OH-ND1 2.88Å; S253-H277 WeakPolarHBondContact CA-O 3.44Å; D254-H277 PolarHBondContact N-O 3.49Å |
| 278 | R | 91.4 | Very high | 85.6 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.1 | 175.9 | -170.7 | 176.8 | 66.2 | -170.3 | 21.4 | 109.6 | L252 E275 E280 | L252-R278 CarbonylContact O-C 3.52Å; L252-R278 WeakPolarHBondContact O-CA 3.28Å; L252-R278 WeakPolarHBondContact O-CG 3Å; E275-R278 IonicContact OE1-NH1 3.33Å; R278-E280 HydrophobicContact CG-CG 3.98Å; R278-E280 IonicContact CZ-OE1 2.63Å; R278-E280 IonicContact CZ-OE2 2.96Å; R278-E280 IonicContact NE-OE1 3.77Å; R278-E280 PolarHBondContact NE-OE1 2.72Å; R278-E280 VanDerWaalsContact NE-OE1 3.09Å; R278-E280 IonicContact NE-OE2 3.77Å; R278-E280 IonicContact NH1-OE1 3.49Å; R278-E280 IonicContact NH2-OE1 3.58Å; R278-E280 PolarHBondContact NH2-OE1 3.31Å; R278-E280 IonicContact NH2-OE2 3.51Å; R278-E280 PolarHBondContact NH2-OE2 2.89Å |
| 279 | V | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.4 | 169.1 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | G251 L252 F294 | G251-V279 CarbonylContact C-O 3.46Å; G251-V279 VanDerWaalsContact CA-O 3.27Å; G251-V279 WeakPolarHBondContact CA-O 3.46Å; L252-V279 HydrophobicContact CB-CB 4.1Å; L252-V279 HydrophobicContact CB-CG2 4.29Å; L252-V279 HydrophobicContact CD1-CG2 4.42Å; L252-V279 HydrophobicContact CG-CB 4.39Å; L252-V279 PolarHBondContact N-O 2.85Å; L252-V279 PolarHBondContact O-N 3.34Å; V279-F294 HydrophobicContact CG1-CD1 4.2Å; V279-F294 HydrophobicContact CG1-CE1 3.78Å |
| 280 | E | 88.1 | Confident | 88.7 | Confident | 98 Ų | 98 | 43 Ų | 43 | 46% | 0.458 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.8 | 172.6 | -69.6 | -175 | 144.7 | 0 | 0 | 109 | R278 | R278-E280 HydrophobicContact CG-CG 3.98Å; R278-E280 IonicContact CZ-OE1 2.63Å; R278-E280 IonicContact CZ-OE2 2.96Å; R278-E280 IonicContact NE-OE1 3.77Å; R278-E280 PolarHBondContact NE-OE1 2.72Å; R278-E280 VanDerWaalsContact NE-OE1 3.09Å; R278-E280 IonicContact NE-OE2 3.77Å; R278-E280 IonicContact NH1-OE1 3.49Å; R278-E280 IonicContact NH2-OE1 3.58Å; R278-E280 PolarHBondContact NH2-OE1 3.31Å; R278-E280 IonicContact NH2-OE2 3.51Å; R278-E280 PolarHBondContact NH2-OE2 2.89Å |
| 281 | I | 89.6 | Confident | 90 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | trans | -95 | 153.6 | 175.5 | 65.6 | 175.7 | 0 | 0 | 0 | 110.7 | W90 F229 V250 T283 I286 F292 F294 | W90-I281 HydrophobicContact CD2-CG2 4.06Å; W90-I281 HydrophobicContact CE3-CG2 4.44Å; W90-I281 HydrophobicContact CG-CG2 4.31Å; F229-I281 HydrophobicContact CD2-CD1 4.3Å; V250-I281 HydrophobicContact CB-CD1 4.37Å; V250-I281 HydrophobicContact CB-CG1 4.03Å; V250-I281 HydrophobicContact CG1-CD1 3.38Å; V250-I281 HydrophobicContact CG1-CG1 3.56Å; I281-T283 PolarHBondContact O-N 3.32Å; I281-I286 HydrophobicContact CD1-CD1 4.08Å; I281-I286 HydrophobicContact CD1-CG1 4.38Å; I281-I286 HydrophobicContact CG1-CD1 4.36Å; I281-F292 HydrophobicContact CB-CD1 4.32Å; I281-F292 HydrophobicContact CB-CE1 4.18Å; I281-F292 HydrophobicContact CD1-CD1 3.77Å; I281-F292 HydrophobicContact CD1-CD2 4.12Å; I281-F292 HydrophobicContact CD1-CE1 3.81Å; I281-F292 HydrophobicContact CD1-CE2 4.17Å; I281-F292 HydrophobicContact CD1-CG 3.92Å; I281-F292 HydrophobicContact CD1-CZ 4Å; I281-F292 HydrophobicContact CG1-CE1 4.45Å; I281-F292 HydrophobicContact CG2-CD1 4.31Å; I281-F294 HydrophobicContact CG2-CE1 3.74Å; I281-F294 HydrophobicContact CG2-CZ 3.59Å | ||
| 282 | D | 88.9 | Confident | 90.9 | Very high | 65 Ų | 65 | 31.5 Ų | 31.5 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | trans | -65.1 | 107.2 | 175.8 | -178 | -1.5 | 0 | 0 | 0 | 110.7 | T284 K285 | D282-T284 PolarHBondContact O-N 2.96Å; D282-T284 WeakPolarHBondContact OD1-CB 3.46Å; D282-T284 PolarHBondContact OD1-N 3.01Å; D282-T284 VanDerWaalsContact OD1-N 3.09Å; D282-T284 PolarHBondContact OD1-OG1 3.39Å; D282-T284 PolarHBondContact OD2-OG1 3.23Å; D282-K285 HydrophobicContact CB-CD 4.15Å; D282-K285 HydrophobicContact CB-CG 4.26Å; D282-K285 PolarHBondContact O-N 3.17Å; D282-K285 VanDerWaalsContact O-N 3.17Å; D282-K285 WeakPolarHBondContact OD2-CE 3.22Å | ||
| 283 | T | 90.5 | Very high | 91.7 | Very high | 44 Ų | 44 | 33.3 Ų | 33.3 | 27% | 0.27 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -67.2 | -19.4 | -175.8 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | V238 V250 I281 K285 I286 | V238-T283 HydrophobicContact CG1-CG2 3.91Å; V250-T283 HydrophobicContact CG2-CG2 4.3Å; I281-T283 PolarHBondContact O-N 3.32Å; T283-K285 PolarHBondContact O-N 3.42Å; T283-I286 HydrophobicContact CG2-CD1 4.37Å; T283-I286 PolarHBondContact O-N 2.89Å |
| 284 | T | 90.8 | Very high | 92.5 | Very high | 76 Ų | 76 | 32.3 Ų | 32.3 | 47% | 0.466 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -66.9 | -26.8 | 175.3 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | E239 D282 I286 | E239-T284 WeakPolarHBondContact OE1-CG2 3.44Å; D282-T284 PolarHBondContact O-N 2.96Å; D282-T284 WeakPolarHBondContact OD1-CB 3.46Å; D282-T284 PolarHBondContact OD1-N 3.01Å; D282-T284 VanDerWaalsContact OD1-N 3.09Å; D282-T284 PolarHBondContact OD1-OG1 3.39Å; D282-T284 PolarHBondContact OD2-OG1 3.23Å; T284-I286 VanDerWaalsContact C-N 3.29Å |
| 285 | K | 91.9 | Very high | 93.1 | Very high | 92 Ų | 92 | 32.7 Ų | 32.7 | 40% | 0.4 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -81.6 | -10.1 | 179.9 | -63.9 | -177.3 | -177.4 | 179.2 | 0 | 112.9 | D282 T283 V287 F292 | D282-K285 HydrophobicContact CB-CD 4.15Å; D282-K285 HydrophobicContact CB-CG 4.26Å; D282-K285 PolarHBondContact O-N 3.17Å; D282-K285 VanDerWaalsContact O-N 3.17Å; D282-K285 WeakPolarHBondContact OD2-CE 3.22Å; T283-K285 PolarHBondContact O-N 3.42Å; K285-V287 PolarHBondContact O-N 3.1Å; K285-V287 VanDerWaalsContact O-N 3.11Å; K285-F292 HydrophobicContact CB-CE1 4.34Å; K285-F292 HydrophobicContact CB-CZ 3.79Å |
| 286 | I | 95.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | trans | -80 | 96.1 | 178.4 | -56.6 | 172.7 | 0 | 0 | 0 | 108.6 | Y231 V234 V238 V250 I281 T283 T284 F292 | Y231-I286 HydrophobicContact CD1-CG2 3.71Å; Y231-I286 HydrophobicContact CD2-CG2 4Å; Y231-I286 HydrophobicContact CE1-CG2 3.68Å; Y231-I286 HydrophobicContact CE2-CG1 4.29Å; Y231-I286 HydrophobicContact CE2-CG2 3.96Å; Y231-I286 HydrophobicContact CG-CG2 3.87Å; V234-I286 HydrophobicContact CG2-CG2 4.42Å; V238-I286 HydrophobicContact CG2-CB 4Å; V238-I286 HydrophobicContact CG2-CD1 4.09Å; V238-I286 HydrophobicContact CG2-CG2 3.89Å; V250-I286 HydrophobicContact CB-CD1 4.1Å; V250-I286 HydrophobicContact CG1-CD1 3.75Å; V250-I286 HydrophobicContact CG2-CD1 3.81Å; I281-I286 HydrophobicContact CD1-CD1 4.08Å; I281-I286 HydrophobicContact CD1-CG1 4.38Å; I281-I286 HydrophobicContact CG1-CD1 4.36Å; T283-I286 HydrophobicContact CG2-CD1 4.37Å; T283-I286 PolarHBondContact O-N 2.89Å; T284-I286 VanDerWaalsContact C-N 3.29Å; I286-F292 HydrophobicContact CG1-CE2 3.92Å; I286-F292 HydrophobicContact CG1-CZ 3.96Å | ||
| 287 | V | 95.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 35.9 Ų | 35.9 | 38% | 0.376 | 20% | 0.202 | S | C | . | . | trans | -127.2 | 164.5 | 177.6 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | P95 K285 G289 S290 | P95-V287 HydrophobicContact CG-CG2 3.66Å; K285-V287 PolarHBondContact O-N 3.1Å; K285-V287 VanDerWaalsContact O-N 3.11Å; V287-G289 PolarHBondContact O-N 3.16Å; V287-S290 PolarHBondContact N-OG 3.16Å; V287-S290 VanDerWaalsContact N-OG 3.08Å; V287-S290 VanDerWaalsContact O-CB 3.32Å; V287-S290 WeakPolarHBondContact O-CB 3.27Å; V287-S290 PolarHBondContact O-N 2.93Å; V287-S290 PolarHBondContact O-OG 3Å | ||
| 288 | S | 96.3 | Very high | 93.7 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.3 | 172.4 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | P95 V234 | P95-S288 WeakPolarHBondContact CG-O 3.3Å; V234-S288 PolarHBondContact N-OG 3.42Å; V234-S288 PolarHBondContact O-OG 2.73Å |
| 289 | G | 95.1 | Very high | 93.7 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 19.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G94 P95 T100 Y231 V287 | G94-G289 CarbonylContact C-O 3.43Å; P95-G289 WeakPolarHBondContact CA-O 3.37Å; T100-G289 WeakPolarHBondContact CG2-O 3.46Å; Y231-G289 VanDerWaalsContact O-CA 3.27Å; Y231-G289 WeakPolarHBondContact O-CA 2.96Å; Y231-G289 PolarHBondContact O-N 3.44Å; V287-G289 PolarHBondContact O-N 3.16Å |
| 290 | S | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 157.6 | 173.2 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | F93 Y231 V287 | F93-S290 WeakPolarHBondContact O-CA 3.43Å; F93-S290 WeakPolarHBondContact O-CB 3.5Å; Y231-S290 WeakPolarHBondContact CD2-OG 3.05Å; Y231-S290 PolarHBondContact N-O 3.16Å; Y231-S290 PolarHBondContact O-N 3.36Å; V287-S290 PolarHBondContact N-OG 3.16Å; V287-S290 VanDerWaalsContact N-OG 3.08Å; V287-S290 VanDerWaalsContact O-CB 3.32Å; V287-S290 WeakPolarHBondContact O-CB 3.27Å; V287-S290 PolarHBondContact O-N 2.93Å; V287-S290 PolarHBondContact O-OG 3Å |
| 291 | A | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 154.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F93 T100 L103 F229 N230 | F93-A291 HydrophobicContact CB-CB 4.38Å; F93-A291 HydrophobicContact CD2-CB 4.42Å; F93-A291 PolarHBondContact N-O 2.64Å; F93-A291 PolarHBondContact O-N 2.91Å; T100-A291 HydrophobicContact CG2-CB 3.77Å; L103-A291 HydrophobicContact CD1-CB 3.93Å; F229-A291 CarbonylContact O-C 3.58Å; F229-A291 WeakPolarHBondContact O-CA 3.27Å; N230-A291 WeakPolarHBondContact OD1-CB 3.41Å |
| 292 | F | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.7 | 177 | -64.1 | -108.5 | 0 | 0 | 0 | 108.9 | W90 E91 I228 F229 Y231 I281 K285 I286 F294 | W90-F292 AromaticContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CD1 3.99Å; W90-F292 HydrophobicContact CE3-CE1 4.45Å; W90-F292 HydrophobicContact CZ3-CD1 4.08Å; W90-F292 HydrophobicContact CZ3-CE1 4.08Å; E91-F292 VanDerWaalsContact O-CA 3.29Å; E91-F292 WeakPolarHBondContact O-CA 3.06Å; I228-F292 CarbonylContact C-O 3.47Å; I228-F292 VanDerWaalsContact CA-O 3.31Å; I228-F292 WeakPolarHBondContact CA-O 3.32Å; F229-F292 HydrophobicContact CB-CB 4.37Å; F229-F292 PolarHBondContact N-O 2.02Å; F229-F292 PolarHBondContact O-N 3.01Å; Y231-F292 HydrophobicContact CD2-CD2 4.21Å; Y231-F292 HydrophobicContact CD2-CE2 4.2Å; Y231-F292 AromaticContact CE2-CD2 3.58Å; Y231-F292 HydrophobicContact CE2-CD2 3.58Å; Y231-F292 AromaticContact CE2-CE2 3.7Å; Y231-F292 HydrophobicContact CE2-CE2 3.7Å; I281-F292 HydrophobicContact CB-CD1 4.32Å; I281-F292 HydrophobicContact CB-CE1 4.18Å; I281-F292 HydrophobicContact CD1-CD1 3.77Å; I281-F292 HydrophobicContact CD1-CD2 4.12Å; I281-F292 HydrophobicContact CD1-CE1 3.81Å; I281-F292 HydrophobicContact CD1-CE2 4.17Å; I281-F292 HydrophobicContact CD1-CG 3.92Å; I281-F292 HydrophobicContact CD1-CZ 4Å; I281-F292 HydrophobicContact CG1-CE1 4.45Å; I281-F292 HydrophobicContact CG2-CD1 4.31Å; K285-F292 HydrophobicContact CB-CE1 4.34Å; K285-F292 HydrophobicContact CB-CZ 3.79Å; I286-F292 HydrophobicContact CG1-CE2 3.92Å; I286-F292 HydrophobicContact CG1-CZ 3.96Å; F292-F294 HydrophobicContact CB-CE2 4.05Å; F292-F294 HydrophobicContact CB-CZ 4.46Å |
| 293 | E | 96.7 | Very high | 94 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.6 | 178.4 | -179.6 | 174 | -163.5 | 0 | 0 | 109.1 | W90 E91 F93 I228 | W90-E293 CarbonylContact C-O 3.55Å; W90-E293 WeakPolarHBondContact CA-O 3.4Å; E91-E293 PolarHBondContact N-O 3.01Å; E91-E293 PolarHBondContact O-N 3.47Å; F93-E293 HydrophobicContact CE2-CB 3.81Å; I228-E293 HydrophobicContact CG1-CG 4.43Å |
| 294 | F | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.2 | 174.9 | -55.9 | -100.2 | 0 | 0 | 0 | 108.5 | Y88 I89 W90 S226 I227 F229 L252 V279 I281 F292 | Y88-F294 HydrophobicContact CD1-CB 4.06Å; I89-F294 CarbonylContact O-C 3.44Å; I89-F294 VanDerWaalsContact O-CA 3.28Å; I89-F294 WeakPolarHBondContact O-CA 3.38Å; W90-F294 HydrophobicContact CB-CD1 3.59Å; W90-F294 HydrophobicContact CB-CE1 3.78Å; W90-F294 HydrophobicContact CB-CG 4.19Å; W90-F294 HydrophobicContact CG-CD1 4.37Å; W90-F294 HydrophobicContact CG-CE1 4.19Å; S226-F294 VanDerWaalsContact CA-O 3.29Å; S226-F294 WeakPolarHBondContact CA-O 3.45Å; I227-F294 HydrophobicContact CB-CB 4.12Å; I227-F294 HydrophobicContact CB-CD2 4.2Å; I227-F294 HydrophobicContact CB-CG 4.49Å; I227-F294 HydrophobicContact CG2-CD2 4.27Å; I227-F294 PolarHBondContact N-O 2.02Å; I227-F294 WeakPolarHBondContact O-CD2 3.23Å; I227-F294 PolarHBondContact O-N 2.99Å; F229-F294 HydrophobicContact CD1-CE2 4.26Å; F229-F294 AromaticContact CD2-CE2 3.4Å; F229-F294 HydrophobicContact CD2-CE2 3.4Å; F229-F294 VanDerWaalsContact CD2-CE2 3.4Å; F229-F294 AromaticContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CD2-CZ 3.8Å; F229-F294 HydrophobicContact CE1-CE2 4.22Å; F229-F294 HydrophobicContact CE2-CD2 4.42Å; F229-F294 AromaticContact CE2-CE2 3.36Å; F229-F294 HydrophobicContact CE2-CE2 3.36Å; F229-F294 AromaticContact CE2-CZ 3.5Å; F229-F294 HydrophobicContact CE2-CZ 3.5Å; F229-F294 VanDerWaalsContact CE2-CZ 3.5Å; F229-F294 AromaticContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CG-CE2 3.87Å; F229-F294 HydrophobicContact CZ-CD2 4.48Å; F229-F294 AromaticContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CE2 3.79Å; F229-F294 HydrophobicContact CZ-CZ 4.16Å; L252-F294 HydrophobicContact CD1-CB 4.28Å; L252-F294 HydrophobicContact CD1-CD1 3.71Å; L252-F294 HydrophobicContact CD1-CE1 4.28Å; L252-F294 HydrophobicContact CD1-CG 4.03Å; L252-F294 HydrophobicContact CG-CD1 4.17Å; L252-F294 HydrophobicContact CG-CE1 4.25Å; V279-F294 HydrophobicContact CG1-CD1 4.2Å; V279-F294 HydrophobicContact CG1-CE1 3.78Å; I281-F294 HydrophobicContact CG2-CE1 3.74Å; I281-F294 HydrophobicContact CG2-CZ 3.59Å; F292-F294 HydrophobicContact CB-CE2 4.05Å; F292-F294 HydrophobicContact CB-CZ 4.46Å |
| 295 | S | 96.4 | Very high | 94 | Very high | 41 Ų | 41 | 39 Ų | 39 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.9 | 175.4 | -66.6 | 0 | 0 | 0 | 0 | 109.8 | Y88 I89 | Y88-S295 WeakPolarHBondContact CA-O 3.04Å; I89-S295 PolarHBondContact N-O 2.81Å; I89-S295 PolarHBondContact O-N 2.92Å |
| 296 | P | 95.5 | Very high | 93.9 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 29% | 0.286 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 143 | 179 | 31.5 | -36.6 | 0 | 0 | 0 | 110.4 | Y88 | Y88-P296 HydrophobicContact CD1-CB 4.22Å; Y88-P296 HydrophobicContact CE1-CB 3.82Å |
| 297 | L | 93.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -97.8 | 154.6 | 171.9 | -67.3 | 175.7 | 0 | 0 | 0 | 111 | Q85 Y87 I89 T299 | Q85-L297 WeakPolarHBondContact O-CD1 3.29Å; Y87-L297 PolarHBondContact O-N 2.54Å; I89-L297 HydrophobicContact CG2-CD1 3.95Å; I89-L297 HydrophobicContact CG2-CD2 4.16Å; I89-L297 HydrophobicContact CG2-CG 4.23Å; L297-T299 PolarHBondContact O-N 2.9Å |
| 298 | P | 92.2 | Very high | 93.4 | Very high | 55 Ų | 55 | 44 Ų | 44 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 136.5 | 174.4 | -23.8 | 34.4 | 0 | 0 | 0 | 112 | Q302 L314 T315 | P298-Q302 VanDerWaalsContact CA-OE1 3.3Å; P298-L314 HydrophobicContact CB-CB 4.32Å; P298-L314 HydrophobicContact CG-CB 4.49Å; P298-T315 HydrophobicContact CB-CG2 3.88Å |
| 299 | T | 92.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | trans | -124.2 | 156.3 | 177.6 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | Y87 G141 L297 L301 Q302 | Y87-T299 HydrophobicContact CD1-CG2 3.76Å; Y87-T299 HydrophobicContact CE1-CG2 4.24Å; G141-T299 VanDerWaalsContact CA-OG1 3.3Å; G141-T299 WeakPolarHBondContact CA-OG1 3.49Å; L297-T299 PolarHBondContact O-N 2.9Å; T299-L301 PolarHBondContact O-N 3.25Å; T299-Q302 WeakPolarHBondContact O-CB 3.26Å; T299-Q302 PolarHBondContact O-N 2.61Å; T299-Q302 VanDerWaalsContact O-N 3.12Å | ||
| 300 | C | 92.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.3 | -35.9 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | Q302 H303 C318 C327 | C300-Q302 PolarHBondContact O-N 3.33Å; C300-H303 PolarHBondContact O-CD2 3.16Å; C300-H303 PolarHBondContact O-N 3.03Å; C300-C318 VanDerWaalsContact CA-SG 3.54Å; C300-C318 HydrophobicContact CB-CB 3.76Å; C300-C318 WeakPolarHBondContact CB-SG 3.02Å; C300-C318 WeakPolarHBondContact SG-CA 3.01Å; C300-C318 WeakPolarHBondContact SG-CB 3.5Å; C300-C318 CovalentContact SG-SG 2.03Å; C300-C318 PolarHBondContact SG-SG 2.94Å; C300-C327 CarbonylContact C-O 3.55Å; C300-C327 WeakPolarHBondContact O-CB 3.33Å; C300-C327 PolarHBondContact O-SG 2.95Å |
| 301 | L | 92.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61.7 | -16.5 | -178.7 | -65.7 | 167.4 | 0 | 0 | 0 | 114 | H142 T299 H303 R326 C327 D332 | H142-L301 WeakPolarHBondContact CE1-CD1 3.33Å; H142-L301 WeakPolarHBondContact NE2-CD1 3.23Å; T299-L301 PolarHBondContact O-N 3.25Å; L301-H303 VanDerWaalsContact C-N 3.27Å; L301-H303 PolarHBondContact O-N 2.96Å; L301-R326 HydrophobicContact CD2-CG 4.2Å; L301-C327 WeakPolarHBondContact CA-O 3.32Å; L301-C327 WeakPolarHBondContact CD2-O 3.3Å; L301-D332 HydrophobicContact CD1-CB 3.9Å |
| 302 | Q | 90.2 | Very high | 91.6 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -74 | -19.6 | 176.7 | -64.9 | 174.8 | -18.4 | 0 | 0 | 112.7 | P298 T299 C300 | P298-Q302 VanDerWaalsContact CA-OE1 3.3Å; T299-Q302 WeakPolarHBondContact O-CB 3.26Å; T299-Q302 PolarHBondContact O-N 2.61Å; T299-Q302 VanDerWaalsContact O-N 3.12Å; C300-Q302 PolarHBondContact O-N 3.33Å |
| 303 | H | 90.7 | Very high | 90.8 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | -85.1 | 121.8 | -179.6 | -56.3 | -58.2 | 0 | 0 | 0 | 110.9 | C300 L301 L308 C309 S312 T315 C327 | C300-H303 PolarHBondContact O-CD2 3.16Å; C300-H303 PolarHBondContact O-N 3.03Å; L301-H303 VanDerWaalsContact C-N 3.27Å; L301-H303 PolarHBondContact O-N 2.96Å; H303-L308 HydrophobicContact CB-CB 4.26Å; H303-C309 HydrophobicContact CB-CB 4.08Å; H303-S312 PolarHBondContact CE1-OG 3.44Å; H303-S312 WeakPolarHBondContact NE2-CB 2.99Å; H303-S312 PolarHBondContact NE2-OG 3.28Å; H303-T315 PolarHBondContact NE2-OG1 2.63Å; H303-T315 VanDerWaalsContact NE2-OG1 3.12Å; H303-C327 HydrophobicContact CB-CB 3.98Å; H303-C327 WeakPolarHBondContact O-CB 3.36Å | ||
| 304 | T | 90.2 | Very high | 90.1 | Very high | 120 Ų | 120 | 60.7 Ų | 60.7 | 74% | 0.736 | 34% | 0.344 | S | S | * | . | trans | -94.9 | -2.3 | -174.4 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | W320 | T304-W320 WeakPolarHBondContact O-CH2 3.42Š| ||
| 305 | S | 90.6 | Very high | 89.3 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -141.4 | 157.1 | 179 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | E307 L308 C309 | S305-E307 VanDerWaalsContact C-N 3.33Å; S305-E307 PolarHBondContact O-N 2.88Å; S305-L308 PolarHBondContact O-N 2.8Å; S305-L308 WeakPolarHBondContact OG-CB 3.38Å; S305-L308 WeakPolarHBondContact OG-CD1 3.44Å; S305-L308 VanDerWaalsContact OG-CG 3.23Å; S305-L308 WeakPolarHBondContact OG-CG 3.39Å; S305-L308 PolarHBondContact OG-N 2.94Å; S305-C309 VanDerWaalsContact O-CB 3.28Å; S305-C309 WeakPolarHBondContact O-CB 3.32Å; S305-C309 PolarHBondContact O-N 3.23Å |
| 306 | C | 89.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 179.8 | -172 | 0 | 0 | 0 | 0 | 112.3 | L308 C309 L310 W320 C351 | C306-L308 PolarHBondContact O-N 2.72Å; C306-C309 WeakPolarHBondContact O-CB 3.29Å; C306-C309 PolarHBondContact O-N 3.11Å; C306-L310 WeakPolarHBondContact O-CG 3.35Å; C306-L310 PolarHBondContact O-N 3.23Å; C306-W320 VanDerWaalsContact CA-CD2 3.46Å; C306-W320 HydrophobicContact CB-CB 4.28Å; C306-W320 HydrophobicContact CB-CD2 3.71Å; C306-W320 HydrophobicContact CB-CE3 4.45Å; C306-W320 HydrophobicContact CB-CG 3.58Å; C306-W320 HydrophobicContact CB-CZ2 4.49Å; C306-W320 VanDerWaalsContact SG-CG 3.55Å; C306-C351 HydrophobicContact CB-CB 3.77Å; C306-C351 WeakPolarHBondContact CB-SG 3.36Å; C306-C351 PolarHBondContact O-SG 2.72Å; C306-C351 WeakPolarHBondContact SG-CA 3.25Å; C306-C351 WeakPolarHBondContact SG-CB 3.38Å; C306-C351 CovalentContact SG-SG 2.02Å; C306-C351 PolarHBondContact SG-SG 2.78Å |
| 307 | E | 89.3 | Confident | 88.2 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 71% | 0.71 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.7 | -47.4 | 179.8 | -64.4 | -179 | 178.7 | 0 | 0 | 111.4 | S305 C309 L310 A311 | S305-E307 VanDerWaalsContact C-N 3.33Å; S305-E307 PolarHBondContact O-N 2.88Å; E307-C309 VanDerWaalsContact C-N 3.34Å; E307-C309 PolarHBondContact O-N 2.78Å; E307-L310 PolarHBondContact O-N 3.01Å; E307-A311 WeakPolarHBondContact O-CB 3.17Å; E307-A311 PolarHBondContact O-N 3.38Å |
| 308 | L | 90 | Very high | 88 | Confident | 93 Ų | 93 | 65.8 Ų | 65.8 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.7 | -66.4 | 175.4 | 0 | 0 | 0 | 111.7 | H303 S305 C306 S312 | H303-L308 HydrophobicContact CB-CB 4.26Å; S305-L308 PolarHBondContact O-N 2.8Å; S305-L308 WeakPolarHBondContact OG-CB 3.38Å; S305-L308 WeakPolarHBondContact OG-CD1 3.44Å; S305-L308 VanDerWaalsContact OG-CG 3.23Å; S305-L308 WeakPolarHBondContact OG-CG 3.39Å; S305-L308 PolarHBondContact OG-N 2.94Å; C306-L308 PolarHBondContact O-N 2.72Å; L308-S312 VanDerWaalsContact O-CB 3.32Å; L308-S312 WeakPolarHBondContact O-CB 3.36Å; L308-S312 PolarHBondContact O-N 2.74Å; L308-S312 VanDerWaalsContact O-N 3.16Å |
| 309 | C | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.02 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | H303 S305 C306 E307 W320 C327 | H303-C309 HydrophobicContact CB-CB 4.08Å; S305-C309 VanDerWaalsContact O-CB 3.28Å; S305-C309 WeakPolarHBondContact O-CB 3.32Å; S305-C309 PolarHBondContact O-N 3.23Å; C306-C309 WeakPolarHBondContact O-CB 3.29Å; C306-C309 PolarHBondContact O-N 3.11Å; E307-C309 VanDerWaalsContact C-N 3.34Å; E307-C309 PolarHBondContact O-N 2.78Å; C309-W320 HydrophobicContact CB-CB 4.48Å; C309-W320 HydrophobicContact CB-CE3 3.82Å; C309-C327 VanDerWaalsContact CA-SG 3.6Å; C309-C327 HydrophobicContact CB-CB 3.6Å; C309-C327 WeakPolarHBondContact CB-SG 3.28Å; C309-C327 WeakPolarHBondContact SG-CB 3.41Å; C309-C327 CovalentContact SG-SG 2.02Å; C309-C327 PolarHBondContact SG-SG 3.05Å |
| 310 | L | 88.3 | Confident | 87.9 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 42% | 0.419 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -86 | -25.9 | -176.2 | -61.6 | -174.2 | 0 | 0 | 0 | 113.5 | C306 E307 C351 | C306-L310 WeakPolarHBondContact O-CG 3.35Å; C306-L310 PolarHBondContact O-N 3.23Å; E307-L310 PolarHBondContact O-N 3.01Å; L310-C351 VanDerWaalsContact CD1-SG 3.52Å |
| 311 | A | 86.2 | Confident | 87.8 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -86.5 | -11.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E307 N313 | E307-A311 WeakPolarHBondContact O-CB 3.17Å; E307-A311 PolarHBondContact O-N 3.38Å; A311-N313 PolarHBondContact O-N 3.5Å |
| 312 | S | 82.4 | Confident | 87.6 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | trans | -66.4 | 121.9 | -177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | H303 L308 L314 T315 | H303-S312 PolarHBondContact CE1-OG 3.44Å; H303-S312 WeakPolarHBondContact NE2-CB 2.99Å; H303-S312 PolarHBondContact NE2-OG 3.28Å; L308-S312 VanDerWaalsContact O-CB 3.32Å; L308-S312 WeakPolarHBondContact O-CB 3.36Å; L308-S312 PolarHBondContact O-N 2.74Å; L308-S312 VanDerWaalsContact O-N 3.16Å; S312-L314 VanDerWaalsContact C-N 3.34Å; S312-L314 PolarHBondContact OG-N 3.07Å; S312-T315 PolarHBondContact OG-OG1 2.74Å | ||
| 313 | N | 80.7 | Confident | 87.5 | Confident | 162 Ų | 162 | 63 Ų | 63 | 87% | 0.866 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -85.9 | -7.2 | 169.6 | -66.7 | -37.7 | 0 | 0 | 0 | 113 | A311 | A311-N313 PolarHBondContact O-N 3.5Š|
| 314 | L | 80.1 | Confident | 87.5 | Confident | 138 Ų | 138 | 63 Ų | 63 | 72% | 0.723 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -83.2 | -22.5 | -175.6 | -64.7 | 175 | 0 | 0 | 0 | 112.6 | P298 S312 | P298-L314 HydrophobicContact CB-CB 4.32Å; P298-L314 HydrophobicContact CG-CB 4.49Å; S312-L314 VanDerWaalsContact C-N 3.34Å; S312-L314 PolarHBondContact OG-N 3.07Å |
| 315 | T | 82.4 | Confident | 87.6 | Confident | 15 Ų | 15 | 63 Ų | 63 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -130 | 122.8 | -170.9 | 49.2 | 0 | 0 | 0 | 0 | 109 | P298 H303 S312 C318 | P298-T315 HydrophobicContact CB-CG2 3.88Å; H303-T315 PolarHBondContact NE2-OG1 2.63Å; H303-T315 VanDerWaalsContact NE2-OG1 3.12Å; S312-T315 PolarHBondContact OG-OG1 2.74Å; T315-C318 WeakPolarHBondContact CB-SG 3.46Å; T315-C318 PolarHBondContact OG1-SG 3.39Å |
| 316 | T | 81.3 | Confident | 87.6 | Confident | 132 Ų | 132 | 63.8 Ų | 63.8 | 81% | 0.81 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -97.9 | 143.4 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | C318 | T316-C318 VanDerWaalsContact C-N 3.34Å; T316-C318 PolarHBondContact O-N 2.04Å |
| 317 | G | 85.6 | Confident | 87.8 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 75.1 | 16.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 318 | C | 90.1 | Very high | 87.9 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | trans | -72.6 | 146.6 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | C300 T315 T316 | C300-C318 VanDerWaalsContact CA-SG 3.54Å; C300-C318 HydrophobicContact CB-CB 3.76Å; C300-C318 WeakPolarHBondContact CB-SG 3.02Å; C300-C318 WeakPolarHBondContact SG-CA 3.01Å; C300-C318 WeakPolarHBondContact SG-CB 3.5Å; C300-C318 CovalentContact SG-SG 2.03Å; C300-C318 PolarHBondContact SG-SG 2.94Å; T315-C318 WeakPolarHBondContact CB-SG 3.46Å; T315-C318 PolarHBondContact OG1-SG 3.39Å; T316-C318 VanDerWaalsContact C-N 3.34Å; T316-C318 PolarHBondContact O-N 2.04Å | ||
| 319 | G | 90.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | C327 S328 W338 | G319-C327 WeakPolarHBondContact O-CA 3.42Å; G319-S328 PolarHBondContact N-O 2.96Å; G319-S328 PolarHBondContact O-N 3.33Å; G319-S328 VanDerWaalsContact O-O 3.06Å; G319-W338 WeakPolarHBondContact O-CH2 3.39Å |
| 320 | W | 91.8 | Very high | 87.8 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.7 | 175.8 | -176.8 | -100.1 | 0 | 0 | 0 | 110.5 | T304 C306 C309 Q325 C327 S347 | T304-W320 WeakPolarHBondContact O-CH2 3.42Å; C306-W320 VanDerWaalsContact CA-CD2 3.46Å; C306-W320 HydrophobicContact CB-CB 4.28Å; C306-W320 HydrophobicContact CB-CD2 3.71Å; C306-W320 HydrophobicContact CB-CE3 4.45Å; C306-W320 HydrophobicContact CB-CG 3.58Å; C306-W320 HydrophobicContact CB-CZ2 4.49Å; C306-W320 VanDerWaalsContact SG-CG 3.55Å; C309-W320 HydrophobicContact CB-CB 4.48Å; C309-W320 HydrophobicContact CB-CE3 3.82Å; W320-Q325 VanDerWaalsContact CH2-C 3.47Å; W320-Q325 WeakPolarHBondContact CH2-O 3.05Å; W320-Q325 HydrophobicContact CZ2-CB 4.28Å; W320-C327 HydrophobicContact CE3-CB 3.72Å; W320-C327 HydrophobicContact CZ3-CB 3.91Å; W320-S347 VanDerWaalsContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CB 3.31Å |
| 321 | C | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.8 | 168 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | L324 Q325 R326 W338 C343 | C321-L324 HydrophobicContact CB-CB 4.32Å; C321-L324 PolarHBondContact O-N 3.01Å; C321-Q325 WeakPolarHBondContact O-CA 3.17Å; C321-Q325 PolarHBondContact O-N 3.03Å; C321-R326 PolarHBondContact N-O 3.07Å; C321-R326 PolarHBondContact O-N 3.48Å; C321-R326 VanDerWaalsContact O-N 3.1Å; C321-W338 HydrophobicContact CB-CE3 4.06Å; C321-W338 HydrophobicContact CB-CH2 3.58Å; C321-W338 HydrophobicContact CB-CZ2 4.39Å; C321-W338 HydrophobicContact CB-CZ3 3.37Å; C321-C343 HydrophobicContact CB-CB 3.55Å; C321-C343 WeakPolarHBondContact CB-SG 3.46Å; C321-C343 WeakPolarHBondContact SG-CB 3.15Å; C321-C343 CovalentContact SG-SG 2.04Å; C321-C343 PolarHBondContact SG-SG 3.1Å |
| 322 | N | 86.5 | Confident | 88 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -33.2 | -179.7 | -171.9 | 66.5 | 0 | 0 | 0 | 111.2 | L324 Q325 E346 Y354 | N322-L324 VanDerWaalsContact C-N 3.3Å; N322-L324 PolarHBondContact O-N 2.86Å; N322-Q325 PolarHBondContact O-N 3.38Å; N322-Q325 PolarHBondContact O-NE2 3.1Å; N322-Q325 PolarHBondContact OD1-NE2 3.18Å; N322-E346 VanDerWaalsContact CA-OE1 3.27Å; N322-E346 WeakPolarHBondContact CA-OE1 3.25Å; N322-E346 WeakPolarHBondContact CB-OE1 3.21Å; N322-E346 PolarHBondContact N-OE1 3.49Å; N322-Y354 HydrophobicContact CB-CD1 3.69Å; N322-Y354 HydrophobicContact CB-CD2 4.16Å; N322-Y354 HydrophobicContact CB-CE1 4.11Å; N322-Y354 HydrophobicContact CB-CG 3.73Å; N322-Y354 WeakPolarHBondContact ND2-CD1 3.49Å |
| 323 | T | 89.1 | Confident | 88.4 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -41.4 | 174.7 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | Y341 E346 | T323-Y341 HydrophobicContact CG2-CD1 3.52Å; T323-Y341 HydrophobicContact CG2-CE1 4.05Å; T323-Y341 HydrophobicContact CG2-CG 4.17Å; T323-E346 PolarHBondContact N-OE1 3.12Å; T323-E346 VanDerWaalsContact N-OE1 3.07Å; T323-E346 PolarHBondContact OG1-OE2 3.16Å |
| 324 | L | 90.6 | Very high | 88.9 | Confident | 31 Ų | 31 | 43.9 Ų | 43.9 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -6.1 | 179.7 | -64.7 | 179.4 | 0 | 0 | 0 | 114 | C321 N322 R326 E337 W338 Y341 C343 | C321-L324 HydrophobicContact CB-CB 4.32Å; C321-L324 PolarHBondContact O-N 3.01Å; N322-L324 VanDerWaalsContact C-N 3.3Å; N322-L324 PolarHBondContact O-N 2.86Å; L324-R326 HydrophobicContact CB-CB 4.14Å; L324-R326 PolarHBondContact O-N 2.95Å; L324-E337 HydrophobicContact CD1-CG 3.91Å; L324-E337 HydrophobicContact CD2-CG 3.9Å; L324-W338 HydrophobicContact CD1-CE3 4.36Å; L324-Y341 HydrophobicContact CD1-CD2 4.33Å; L324-Y341 HydrophobicContact CD2-CD2 3.62Å; L324-Y341 HydrophobicContact CD2-CE2 3.81Å; L324-Y341 HydrophobicContact CD2-CG 4.13Å; L324-Y341 HydrophobicContact CG-CD2 4.21Å; L324-Y341 HydrophobicContact CG-CG 4.41Å; L324-C343 VanDerWaalsContact CD1-SG 3.57Å |
| 325 | Q | 90.8 | Very high | 89.4 | Confident | 120 Ų | 120 | 39.4 Ų | 39.4 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47 | -170.7 | -63.9 | -68 | -52.4 | 0 | 0 | 112.2 | W320 C321 N322 | W320-Q325 VanDerWaalsContact CH2-C 3.47Å; W320-Q325 WeakPolarHBondContact CH2-O 3.05Å; W320-Q325 HydrophobicContact CZ2-CB 4.28Å; C321-Q325 WeakPolarHBondContact O-CA 3.17Å; C321-Q325 PolarHBondContact O-N 3.03Å; N322-Q325 PolarHBondContact O-N 3.38Å; N322-Q325 PolarHBondContact O-NE2 3.1Å; N322-Q325 PolarHBondContact OD1-NE2 3.18Å |
| 326 | R | 91.9 | Very high | 89.7 | Confident | 55 Ų | 55 | 41.1 Ų | 41.1 | 21% | 0.208 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 137.1 | -171.3 | -170 | -176.6 | -63.7 | 146.6 | 1.8 | 111.9 | L301 C321 L324 E337 | L301-R326 HydrophobicContact CD2-CG 4.2Å; C321-R326 PolarHBondContact N-O 3.07Å; C321-R326 PolarHBondContact O-N 3.48Å; C321-R326 VanDerWaalsContact O-N 3.1Å; L324-R326 HydrophobicContact CB-CB 4.14Å; L324-R326 PolarHBondContact O-N 2.95Å; R326-E337 IonicContact CZ-OE2 2.78Å; R326-E337 IonicContact NH1-OE2 2.72Å; R326-E337 PolarHBondContact NH1-OE2 2.86Å; R326-E337 IonicContact NH2-OE2 2.83Å; R326-E337 PolarHBondContact NH2-OE2 3.19Å |
| 327 | C | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.6 | 168.4 | -172 | 0 | 0 | 0 | 0 | 110.2 | C300 L301 H303 C309 G319 W320 | C300-C327 CarbonylContact C-O 3.55Å; C300-C327 WeakPolarHBondContact O-CB 3.33Å; C300-C327 PolarHBondContact O-SG 2.95Å; L301-C327 WeakPolarHBondContact CA-O 3.32Å; L301-C327 WeakPolarHBondContact CD2-O 3.3Å; H303-C327 HydrophobicContact CB-CB 3.98Å; H303-C327 WeakPolarHBondContact O-CB 3.36Å; C309-C327 VanDerWaalsContact CA-SG 3.6Å; C309-C327 HydrophobicContact CB-CB 3.6Å; C309-C327 WeakPolarHBondContact CB-SG 3.28Å; C309-C327 WeakPolarHBondContact SG-CB 3.41Å; C309-C327 CovalentContact SG-SG 2.02Å; C309-C327 PolarHBondContact SG-SG 3.05Å; G319-C327 WeakPolarHBondContact O-CA 3.42Å; W320-C327 HydrophobicContact CE3-CB 3.72Å; W320-C327 HydrophobicContact CZ3-CB 3.91Å |
| 328 | S | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 155 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 111 | G319 G330 D332 | G319-S328 PolarHBondContact N-O 2.96Å; G319-S328 PolarHBondContact O-N 3.33Å; G319-S328 VanDerWaalsContact O-O 3.06Å; S328-G330 PolarHBondContact OG-N 2.81Å; S328-D332 WeakPolarHBondContact CB-OD2 3.42Å; S328-D332 PolarHBondContact OG-OD2 3.15Å |
| 329 | D | 89.4 | Confident | 90.4 | Very high | 46 Ų | 46 | 37 Ų | 37 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | trans | -85.9 | 3.8 | 166.6 | 63.7 | -8.7 | 0 | 0 | 0 | 112.5 | K86 I331 | K86-D329 VanDerWaalsContact CE-OD2 3.3Å; K86-D329 WeakPolarHBondContact CE-OD2 3.46Å; K86-D329 IonicContact NZ-OD2 2.74Å; K86-D329 PolarHBondContact NZ-OD2 2.88Å; D329-I331 VanDerWaalsContact C-N 3.3Å; D329-I331 PolarHBondContact O-N 3.18Å; D329-I331 PolarHBondContact OD1-N 2.92Å | ||
| 330 | G | 88.3 | Confident | 90.3 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 80.6 | 3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S328 R335 | S328-G330 PolarHBondContact OG-N 2.81Å; G330-R335 VanDerWaalsContact O-CD 3.31Å; G330-R335 WeakPolarHBondContact O-CD 3.13Å; G330-R335 VanDerWaalsContact O-CG 3.31Å; G330-R335 WeakPolarHBondContact O-CG 3.4Å; G330-R335 PolarHBondContact O-NE 3.37Å |
| 331 | I | 88.4 | Confident | 90.2 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 14% | 0.138 | 23% | 0.229 | C | C | . | . | trans | -125.7 | 85 | 176.9 | -51.2 | -62.4 | 0 | 0 | 0 | 109.5 | Y87 Y276 D329 | Y87-I331 PolarHBondContact OH-O 2.82Å; Y276-I331 HydrophobicContact CD2-CG2 3.98Å; Y276-I331 HydrophobicContact CG-CG2 3.88Å; D329-I331 VanDerWaalsContact C-N 3.3Å; D329-I331 PolarHBondContact O-N 3.18Å; D329-I331 PolarHBondContact OD1-N 2.92Å | ||
| 332 | D | 91 | Very high | 90 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -152.7 | -178.7 | 177.4 | 72.9 | 72.7 | 0 | 0 | 0 | 111.3 | H142 F256 L301 S328 H334 R335 | H142-D332 IonicContact CE1-OD1 3.66Å; H142-D332 PolarHBondContact CE1-OD1 3.4Å; H142-D332 IonicContact NE2-OD1 2.8Å; F256-D332 WeakPolarHBondContact CB-O 3.42Å; L301-D332 HydrophobicContact CD1-CB 3.9Å; S328-D332 WeakPolarHBondContact CB-OD2 3.42Å; S328-D332 PolarHBondContact OG-OD2 3.15Å; D332-H334 PolarHBondContact O-N 2.9Å; D332-H334 VanDerWaalsContact O-N 3.16Å; D332-H334 WeakPolarHBondContact OD1-CA 3.08Å; D332-H334 WeakPolarHBondContact OD1-CB 3.26Å; D332-H334 IonicContact OD1-CG 3.88Å; D332-H334 PolarHBondContact OD1-N 2.88Å; D332-H334 IonicContact OD1-ND1 3.12Å; D332-R335 WeakPolarHBondContact O-CB 3.27Å; D332-R335 PolarHBondContact O-N 3.15Å |
| 333 | R | 90.7 | Very high | 90.1 | Very high | 35 Ų | 35 | 50 Ų | 50 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.5 | -178.2 | -66 | -179.6 | 179 | -148.8 | -11.9 | 113.9 | F139 H142 I144 M157 D254 R335 | F139-R333 VanDerWaalsContact CD1-NH2 3.33Å; H142-R333 VanDerWaalsContact CD2-CD 3.46Å; H142-R333 WeakPolarHBondContact CD2-CD 3.05Å; H142-R333 WeakPolarHBondContact NE2-CG 3.37Å; H142-R333 PolarHBondContact NE2-N 3.47Å; I144-R333 VanDerWaalsContact CD1-NH1 3.29Å; M157-R333 PolarHBondContact O-NH1 3.29Å; M157-R333 PolarHBondContact O-NH2 3.12Å; D254-R333 IonicContact OD1-CZ 3.17Å; D254-R333 IonicContact OD1-NE 3.65Å; D254-R333 PolarHBondContact OD1-NE 3.12Å; D254-R333 VanDerWaalsContact OD1-NE 3.12Å; D254-R333 IonicContact OD1-NH2 2.8Å; D254-R333 PolarHBondContact OD1-NH2 2.83Å; D254-R333 IonicContact OD2-CZ 3.76Å; D254-R333 IonicContact OD2-NE 3.41Å; D254-R333 PolarHBondContact OD2-NE 2.96Å; D254-R333 IonicContact OD2-NH2 2.65Å; D254-R333 PolarHBondContact OD2-NH2 3.19Å; R333-R335 VanDerWaalsContact C-N 3.31Å |
| 334 | H | 91 | Very high | 90 | Very high | 67 Ų | 67 | 48 Ų | 48 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 17.4 | 179.8 | -50.2 | 108.5 | 0 | 0 | 0 | 113.1 | H142 D332 Q336 E337 W338 | H142-H334 AromaticContact CE1-CE1 3.64Å; H142-H334 AromaticContact CE1-ND1 3.41Å; H142-H334 PolarHBondContact CE1-ND1 2.75Å; H142-H334 AromaticContact ND1-CE1 3.5Å; H142-H334 PolarHBondContact ND1-CE1 3.14Å; H142-H334 AromaticContact ND1-ND1 3.75Å; D332-H334 PolarHBondContact O-N 2.9Å; D332-H334 VanDerWaalsContact O-N 3.16Å; D332-H334 WeakPolarHBondContact OD1-CA 3.08Å; D332-H334 WeakPolarHBondContact OD1-CB 3.26Å; D332-H334 IonicContact OD1-CG 3.88Å; D332-H334 PolarHBondContact OD1-N 2.88Å; D332-H334 IonicContact OD1-ND1 3.12Å; H334-Q336 PolarHBondContact O-N 3.32Å; H334-Q336 VanDerWaalsContact O-N 3.16Å; H334-E337 WeakPolarHBondContact O-CB 3.43Å; H334-E337 PolarHBondContact O-N 3.02Å; H334-E337 VanDerWaalsContact O-N 3.1Å; H334-W338 PolarHBondContact O-N 2.89Å |
| 335 | R | 90.5 | Very high | 89.6 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.2 | -36.8 | -179.3 | 178.9 | 172.2 | -163.7 | -63.3 | -8.4 | 113.8 | F256 G330 D332 R333 W338 L339 | F256-R335 HydrophobicContact CD1-CB 4.38Å; F256-R335 HydrophobicContact CD2-CB 4.24Å; F256-R335 HydrophobicContact CG-CB 4.13Å; G330-R335 VanDerWaalsContact O-CD 3.31Å; G330-R335 WeakPolarHBondContact O-CD 3.13Å; G330-R335 VanDerWaalsContact O-CG 3.31Å; G330-R335 WeakPolarHBondContact O-CG 3.4Å; G330-R335 PolarHBondContact O-NE 3.37Å; D332-R335 WeakPolarHBondContact O-CB 3.27Å; D332-R335 PolarHBondContact O-N 3.15Å; R333-R335 VanDerWaalsContact C-N 3.31Å; R335-W338 WeakPolarHBondContact O-CB 3.49Å; R335-W338 PolarHBondContact O-N 2.96Å; R335-L339 WeakPolarHBondContact O-CG 3.39Å; R335-L339 PolarHBondContact O-N 3.07Å |
| 336 | Q | 88.7 | Confident | 88.9 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 178.5 | -172.6 | 60.7 | 50.9 | 0 | 0 | 111 | H334 W338 L339 D340 | H334-Q336 PolarHBondContact O-N 3.32Å; H334-Q336 VanDerWaalsContact O-N 3.16Å; Q336-W338 VanDerWaalsContact C-N 3.29Å; Q336-W338 PolarHBondContact O-N 3.01Å; Q336-L339 PolarHBondContact O-N 3.49Å; Q336-L339 VanDerWaalsContact O-N 3.15Å; Q336-D340 PolarHBondContact NE2-OD1 3.48Å; Q336-D340 PolarHBondContact O-N 3.27Å |
| 337 | E | 90.2 | Very high | 88.2 | Confident | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 174.7 | -175.1 | -176.1 | -140.2 | 0 | 0 | 111.1 | L324 R326 H334 L339 D340 Y341 | L324-E337 HydrophobicContact CD1-CG 3.91Å; L324-E337 HydrophobicContact CD2-CG 3.9Å; R326-E337 IonicContact CZ-OE2 2.78Å; R326-E337 IonicContact NH1-OE2 2.72Å; R326-E337 PolarHBondContact NH1-OE2 2.86Å; R326-E337 IonicContact NH2-OE2 2.83Å; R326-E337 PolarHBondContact NH2-OE2 3.19Å; H334-E337 WeakPolarHBondContact O-CB 3.43Å; H334-E337 PolarHBondContact O-N 3.02Å; H334-E337 VanDerWaalsContact O-N 3.1Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 2.87Å; E337-D340 PolarHBondContact O-N 3.36Å; E337-Y341 HydrophobicContact CG-CD2 3.85Å; E337-Y341 HydrophobicContact CG-CE2 3.87Å; E337-Y341 WeakPolarHBondContact O-CD2 3.32Å; E337-Y341 PolarHBondContact O-N 3.27Å; E337-Y341 VanDerWaalsContact O-N 3.12Å |
| 338 | W | 90.2 | Very high | 87.2 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -41.3 | 176 | -173.8 | -92.2 | 0 | 0 | 0 | 112.7 | G319 C321 L324 H334 R335 Q336 C343 | G319-W338 WeakPolarHBondContact O-CH2 3.39Å; C321-W338 HydrophobicContact CB-CE3 4.06Å; C321-W338 HydrophobicContact CB-CH2 3.58Å; C321-W338 HydrophobicContact CB-CZ2 4.39Å; C321-W338 HydrophobicContact CB-CZ3 3.37Å; L324-W338 HydrophobicContact CD1-CE3 4.36Å; H334-W338 PolarHBondContact O-N 2.89Å; R335-W338 WeakPolarHBondContact O-CB 3.49Å; R335-W338 PolarHBondContact O-N 2.96Å; Q336-W338 VanDerWaalsContact C-N 3.29Å; Q336-W338 PolarHBondContact O-N 3.01Å; W338-C343 HydrophobicContact CD2-CB 3.41Å; W338-C343 VanDerWaalsContact CD2-CB 3.41Å; W338-C343 HydrophobicContact CE3-CB 3.8Å; W338-C343 HydrophobicContact CG-CB 3.84Å; W338-C343 HydrophobicContact CH2-CB 4.08Å; W338-C343 HydrophobicContact CZ2-CB 3.71Å; W338-C343 HydrophobicContact CZ3-CB 4.12Å; W338-C343 VanDerWaalsContact O-CB 3.26Å; W338-C343 WeakPolarHBondContact O-CB 3.43Å; W338-C343 PolarHBondContact O-N 3.23Å; W338-C343 VanDerWaalsContact O-N 3.12Å |
| 339 | L | 90.6 | Very high | 86.1 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73.5 | -40.5 | 175.5 | -69 | -170.6 | 0 | 0 | 0 | 112.9 | R335 Q336 E337 Y341 N342 P344 | R335-L339 WeakPolarHBondContact O-CG 3.39Å; R335-L339 PolarHBondContact O-N 3.07Å; Q336-L339 PolarHBondContact O-N 3.49Å; Q336-L339 VanDerWaalsContact O-N 3.15Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 2.87Å; L339-Y341 PolarHBondContact O-N 3.22Å; L339-N342 PolarHBondContact O-N 3.11Å; L339-P344 HydrophobicContact CD2-CG 3.7Å |
| 340 | D | 89.8 | Confident | 85.5 | Confident | 114 Ų | 114 | 58.6 Ų | 58.6 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.9 | -33 | -176.6 | -68 | -15.3 | 0 | 0 | 0 | 111.7 | Q336 E337 | Q336-D340 PolarHBondContact NE2-OD1 3.48Å; Q336-D340 PolarHBondContact O-N 3.27Å; E337-D340 PolarHBondContact O-N 3.36Å |
| 341 | Y | 89.2 | Confident | 85 | Confident | 124 Ų | 124 | 60 Ų | 60 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 9 | 174.9 | -73.3 | -80.4 | 0 | 0 | 0 | 114.4 | T323 L324 E337 L339 C343 | T323-Y341 HydrophobicContact CG2-CD1 3.52Å; T323-Y341 HydrophobicContact CG2-CE1 4.05Å; T323-Y341 HydrophobicContact CG2-CG 4.17Å; L324-Y341 HydrophobicContact CD1-CD2 4.33Å; L324-Y341 HydrophobicContact CD2-CD2 3.62Å; L324-Y341 HydrophobicContact CD2-CE2 3.81Å; L324-Y341 HydrophobicContact CD2-CG 4.13Å; L324-Y341 HydrophobicContact CG-CD2 4.21Å; L324-Y341 HydrophobicContact CG-CG 4.41Å; E337-Y341 HydrophobicContact CG-CD2 3.85Å; E337-Y341 HydrophobicContact CG-CE2 3.87Å; E337-Y341 WeakPolarHBondContact O-CD2 3.32Å; E337-Y341 PolarHBondContact O-N 3.27Å; E337-Y341 VanDerWaalsContact O-N 3.12Å; L339-Y341 PolarHBondContact O-N 3.22Å; Y341-C343 PolarHBondContact O-N 3.23Å; Y341-C343 VanDerWaalsContact O-N 3.15Å |
| 342 | N | 87.6 | Confident | 84.1 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.4 | 179.5 | -160.1 | 42.3 | 0 | 0 | 0 | 114.1 | L339 P344 E345 E346 | L339-N342 PolarHBondContact O-N 3.11Å; N342-P344 VanDerWaalsContact C-N 3.33Å; N342-E345 PolarHBondContact O-N 2.99Å; N342-E346 PolarHBondContact O-N 2.75Å |
| 343 | C | 89.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.5 | -29.3 | 179.1 | -63.9 | 0 | 0 | 0 | 0 | 114.9 | C321 L324 W338 Y341 E345 E346 S347 | C321-C343 HydrophobicContact CB-CB 3.55Å; C321-C343 WeakPolarHBondContact CB-SG 3.46Å; C321-C343 WeakPolarHBondContact SG-CB 3.15Å; C321-C343 CovalentContact SG-SG 2.04Å; C321-C343 PolarHBondContact SG-SG 3.1Å; L324-C343 VanDerWaalsContact CD1-SG 3.57Å; W338-C343 HydrophobicContact CD2-CB 3.41Å; W338-C343 VanDerWaalsContact CD2-CB 3.41Å; W338-C343 HydrophobicContact CE3-CB 3.8Å; W338-C343 HydrophobicContact CG-CB 3.84Å; W338-C343 HydrophobicContact CH2-CB 4.08Å; W338-C343 HydrophobicContact CZ2-CB 3.71Å; W338-C343 HydrophobicContact CZ3-CB 4.12Å; W338-C343 VanDerWaalsContact O-CB 3.26Å; W338-C343 WeakPolarHBondContact O-CB 3.43Å; W338-C343 PolarHBondContact O-N 3.23Å; W338-C343 VanDerWaalsContact O-N 3.12Å; Y341-C343 PolarHBondContact O-N 3.23Å; Y341-C343 VanDerWaalsContact O-N 3.15Å; C343-E345 PolarHBondContact O-N 2.94Å; C343-E346 PolarHBondContact O-N 3.25Å; C343-S347 VanDerWaalsContact O-CB 3.25Å; C343-S347 WeakPolarHBondContact O-CB 3.31Å; C343-S347 PolarHBondContact O-N 3.06Å; C343-S347 PolarHBondContact O-OG 3.41Å; C343-S347 VanDerWaalsContact O-OG 3.11Å |
| 344 | P | 85.8 | Confident | 81.3 | Confident | 40 Ų | 40 | 74 Ų | 74 | 26% | 0.26 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -27.4 | 176.3 | -24.6 | 33.3 | 0 | 0 | 0 | 114.9 | L339 N342 K348 | L339-P344 HydrophobicContact CD2-CG 3.7Å; N342-P344 VanDerWaalsContact C-N 3.33Å; P344-K348 VanDerWaalsContact O-CE 3.31Å; P344-K348 WeakPolarHBondContact O-CE 3.42Å |
| 345 | E | 81.6 | Confident | 79.4 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -87.8 | -37.5 | 174.9 | -65 | -56.6 | 134.4 | 0 | 0 | 111 | N342 C343 S347 K348 | N342-E345 PolarHBondContact O-N 2.99Å; C343-E345 PolarHBondContact O-N 2.94Å; E345-S347 PolarHBondContact O-N 3.33Å; E345-K348 PolarHBondContact O-N 3.01Å; E345-K348 IonicContact OE1-NZ 3.26Å; E345-K348 PolarHBondContact OE1-NZ 3.41Å; E345-K348 IonicContact OE2-NZ 3.38Å; E345-K348 PolarHBondContact OE2-NZ 3.29Å |
| 346 | E | 77.9 | Confident | 77.5 | Confident | 26 Ų | 26 | 80.8 Ų | 80.8 | 12% | 0.121 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.3 | -160.3 | -175.5 | 138.9 | 0 | 0 | 112.2 | N322 T323 N342 C343 K348 G349 Y354 | N322-E346 VanDerWaalsContact CA-OE1 3.27Å; N322-E346 WeakPolarHBondContact CA-OE1 3.25Å; N322-E346 WeakPolarHBondContact CB-OE1 3.21Å; N322-E346 PolarHBondContact N-OE1 3.49Å; T323-E346 PolarHBondContact N-OE1 3.12Å; T323-E346 VanDerWaalsContact N-OE1 3.07Å; T323-E346 PolarHBondContact OG1-OE2 3.16Å; N342-E346 PolarHBondContact O-N 2.75Å; C343-E346 PolarHBondContact O-N 3.25Å; E346-K348 PolarHBondContact O-N 3.38Å; E346-G349 PolarHBondContact O-N 3.46Å; E346-Y354 HydrophobicContact CG-CE1 4.03Å; E346-Y354 WeakPolarHBondContact CG-OH 3.42Å |
| 347 | S | 75.6 | Confident | 75.1 | Confident | 27 Ų | 27 | 85 Ų | 85 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -4.5 | -174 | 69.7 | 0 | 0 | 0 | 0 | 115 | W320 C343 E345 G349 | W320-S347 VanDerWaalsContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CA 3.28Å; W320-S347 WeakPolarHBondContact O-CB 3.31Å; C343-S347 VanDerWaalsContact O-CB 3.25Å; C343-S347 WeakPolarHBondContact O-CB 3.31Å; C343-S347 PolarHBondContact O-N 3.06Å; C343-S347 PolarHBondContact O-OG 3.41Å; C343-S347 VanDerWaalsContact O-OG 3.11Å; E345-S347 PolarHBondContact O-N 3.33Å; S347-G349 VanDerWaalsContact C-N 3.32Å |
| 348 | K | 73.4 | Confident | 72.7 | Confident | 143 Ų | 143 | 88.4 Ų | 88.4 | 62% | 0.622 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -13.7 | 171 | -59.7 | 174.9 | -170.6 | 163.8 | 0 | 112.4 | P344 E345 E346 | P344-K348 VanDerWaalsContact O-CE 3.31Å; P344-K348 WeakPolarHBondContact O-CE 3.42Å; E345-K348 PolarHBondContact O-N 3.01Å; E345-K348 IonicContact OE1-NZ 3.26Å; E345-K348 PolarHBondContact OE1-NZ 3.41Å; E345-K348 IonicContact OE2-NZ 3.38Å; E345-K348 PolarHBondContact OE2-NZ 3.29Å; E346-K348 PolarHBondContact O-N 3.38Å |
| 349 | G | 69.9 | Low | 70.5 | Confident | 26 Ų | 26 | 93.1 Ų | 93.1 | 27% | 0.268 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -79.4 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E346 S347 | E346-G349 PolarHBondContact O-N 3.46Å; S347-G349 VanDerWaalsContact C-N 3.32Å |
| 350 | K | 75.6 | Confident | 67.8 | Low | 145 Ų | 145 | 98.9 Ų | 98.9 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | trans | -93.4 | 156.4 | 174.9 | -67.9 | -176.9 | 177.9 | -176 | 0 | 110.8 | E352 D353 | K350-E352 PolarHBondContact O-N 2.99Å; K350-D353 PolarHBondContact N-OD2 3.49Å; K350-D353 WeakPolarHBondContact O-CB 3.28Å; K350-D353 PolarHBondContact O-N 3.07Å; K350-D353 VanDerWaalsContact O-N 3.1Å | ||
| 351 | C | 78.9 | Confident | 65.2 | Low | 39 Ų | 39 | 97.1 Ų | 97.1 | 26% | 0.264 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -57.4 | -31.8 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | C306 L310 D353 | C306-C351 HydrophobicContact CB-CB 3.77Å; C306-C351 WeakPolarHBondContact CB-SG 3.36Å; C306-C351 PolarHBondContact O-SG 2.72Å; C306-C351 WeakPolarHBondContact SG-CA 3.25Å; C306-C351 WeakPolarHBondContact SG-CB 3.38Å; C306-C351 CovalentContact SG-SG 2.02Å; C306-C351 PolarHBondContact SG-SG 2.78Å; L310-C351 VanDerWaalsContact CD1-SG 3.52Å; C351-D353 VanDerWaalsContact C-N 3.25Å; C351-D353 PolarHBondContact O-N 3.36Å |
| 352 | E | 68.4 | Low | 62.5 | Low | 171 Ų | 171 | 97.7 Ų | 97.7 | 80% | 0.799 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -73.6 | -14.1 | -178.6 | -61.9 | -178.3 | 169.5 | 0 | 0 | 113.6 | K350 Y354 | K350-E352 PolarHBondContact O-N 2.99Å; E352-Y354 PolarHBondContact O-N 3.39Å |
| 353 | D | 61.8 | Low | 60 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -75.8 | -7.7 | -179.7 | -62.9 | -37.1 | 0 | 0 | 0 | 112.2 | K350 C351 | K350-D353 PolarHBondContact N-OD2 3.49Å; K350-D353 WeakPolarHBondContact O-CB 3.28Å; K350-D353 PolarHBondContact O-N 3.07Å; K350-D353 VanDerWaalsContact O-N 3.1Å; C351-D353 VanDerWaalsContact C-N 3.25Å; C351-D353 PolarHBondContact O-N 3.36Å |
| 354 | Y | 60.4 | Low | 57.2 | Low | 78 Ų | 78 | 105.3 Ų | 105.3 | 31% | 0.306 | 58% | 0.576 | S | S | . | * | trans | -116.4 | 79.1 | -174.2 | -65 | -83.1 | 0 | 0 | 0 | 111.5 | N322 E346 E352 P356 | N322-Y354 HydrophobicContact CB-CD1 3.69Å; N322-Y354 HydrophobicContact CB-CD2 4.16Å; N322-Y354 HydrophobicContact CB-CE1 4.11Å; N322-Y354 HydrophobicContact CB-CG 3.73Å; N322-Y354 WeakPolarHBondContact ND2-CD1 3.49Å; E346-Y354 HydrophobicContact CG-CE1 4.03Å; E346-Y354 WeakPolarHBondContact CG-OH 3.42Å; E352-Y354 PolarHBondContact O-N 3.39Å; Y354-P356 WeakPolarHBondContact O-CD 3Å | ||
| 355 | N | 53 | Low | 54.8 | Low | 143 Ų | 143 | 108.3 Ų | 108.3 | 77% | 0.765 | 60% | 0.598 | S | S | * | * | trans | -71.6 | 122.6 | 158.1 | -87 | -40.3 | 0 | 0 | 0 | 108.4 | V357 | N355-V357 PolarHBondContact O-N 3.42Š| ||
| 356 | P | 49.3 | Very low | 52.5 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | trans | -61.6 | 114.6 | 163.3 | 25.7 | -29 | 0 | 0 | 0 | 106.5 | Y354 L358 | Y354-P356 WeakPolarHBondContact O-CD 3Å; P356-L358 PolarHBondContact O-N 3.07Å | ||
| 357 | V | 39.7 | Very low | 50.3 | Low | 139 Ų | 139 | 118.4 Ų | 118.4 | 84% | 0.842 | 65% | 0.648 | S | S | * | * | trans | -65 | 89.2 | 161.7 | 179.5 | 0 | 0 | 0 | 0 | 105.4 | N355 | N355-V357 PolarHBondContact O-N 3.42Š| ||
| 358 | L | 39.2 | Very low | 48.2 | Very low | 137 Ų | 137 | 125 Ų | 125 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | -57 | 127.2 | 163.9 | -168.3 | 70.9 | 0 | 0 | 0 | 105.6 | P356 E360 | P356-L358 PolarHBondContact O-N 3.07Å; L358-E360 PolarHBondContact O-N 3.42Å; L358-E360 VanDerWaalsContact O-N 3.11Å | ||
| 359 | P | 42.7 | Very low | 46.1 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | trans | -56.2 | 125.4 | 169.3 | -13.8 | 26 | 0 | 0 | 0 | 106.4 | A361 | P359-A361 VanDerWaalsContact C-N 3.3Å; P359-A361 PolarHBondContact O-N 3.41Å | ||
| 360 | E | 33.8 | Very low | 44.3 | Very low | 187 Ų | 187 | 130 Ų | 130 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | trans | -50.4 | 96.6 | 176 | -79.2 | 173.9 | 135.6 | 0 | 0 | 109.2 | L358 T362 | L358-E360 PolarHBondContact O-N 3.42Å; L358-E360 VanDerWaalsContact O-N 3.11Å; E360-T362 VanDerWaalsContact C-N 3.3Å; E360-T362 PolarHBondContact O-N 3.48Å | ||
| 361 | A | 35.7 | Very low | 42.2 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | -66.3 | 100.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | P359 M363 | P359-A361 VanDerWaalsContact C-N 3.3Å; P359-A361 PolarHBondContact O-N 3.41Å; A361-M363 VanDerWaalsContact C-N 3.27Å; A361-M363 PolarHBondContact O-N 3.36Å | ||
| 362 | T | 32.3 | Very low | 39.8 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -58 | 96.2 | 169 | -39.9 | 0 | 0 | 0 | 0 | 107.2 | E360 S364 | E360-T362 VanDerWaalsContact C-N 3.3Å; E360-T362 PolarHBondContact O-N 3.48Å; T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.45Å | ||
| 363 | M | 35.5 | Very low | 38.4 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 86% | 0.862 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 85.4 | 171.3 | -85.8 | -94.9 | 155 | 0 | 0 | 108.5 | A361 | A361-M363 VanDerWaalsContact C-N 3.27Å; A361-M363 PolarHBondContact O-N 3.36Å | ||
| 364 | S | 30.6 | Very low | 36.7 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -86.8 | 106.1 | 159.1 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | T362 F366 | T362-S364 VanDerWaalsContact C-N 3.25Å; T362-S364 PolarHBondContact O-N 3.45Å; S364-F366 PolarHBondContact O-N 3.43Å | ||
| 365 | S | 35.5 | Very low | 35 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -64.5 | 115.5 | 175 | -20.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 366 | F | 32.8 | Very low | 33.7 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 107.2 | 154.3 | -77.6 | -73.1 | 0 | 0 | 0 | 109.5 | S364 I368 | S364-F366 PolarHBondContact O-N 3.43Å; F366-I368 PolarHBondContact O-N 3.39Å | ||
| 367 | N | 32.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -57.9 | 121.4 | 167.6 | -72.7 | -31.8 | 0 | 0 | 0 | 110 | ||||
| 368 | I | 31.5 | Very low | 32.2 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -136.8 | 123.9 | 152.3 | -61.1 | -174.9 | 0 | 0 | 0 | 109.3 | F366 | F366-I368 PolarHBondContact O-N 3.39Š| ||
| 369 | L | 29.4 | Very low | 31.6 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -48.2 | 140.4 | 176.1 | -125.3 | 71.6 | 0 | 0 | 0 | 113.4 | ||||
| 370 | S | 31.4 | Very low | 30.8 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -60.7 | 152 | 160.2 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 371 | P | 31.4 | Very low | 30.6 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | -132.2 | 148.1 | 128.9 | 19.9 | -0.3 | 0 | 0 | 0 | 113.8 | |||||
| 372 | E | 27.4 | Very low | 30.2 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -56.6 | 159.5 | 174.7 | -174.1 | 174.2 | 165.7 | 0 | 0 | 114.1 | ||||
| 373 | P | 40.2 | Very low | 30.2 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -89.2 | 151.4 | -172 | 34.6 | -29.8 | 0 | 0 | 0 | 112.5 | ||||
| 374 | T | 25.1 | Very low | 30.6 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -141.5 | 130.9 | 162.4 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 375 | T | 25 | Very low | 30.3 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -55.6 | 150.5 | 171.6 | -22.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 376 | S | 26.8 | Very low | 30 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 139.6 | 122 | 131.6 | 60.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 377 | F | 28.9 | Very low | 29.8 | Very low | 198 Ų | 198 | 143 Ų | 143 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 59.6 | 114.6 | 131.8 | -70.7 | -83 | 0 | 0 | 0 | 123.4 | ||||
| 378 | A | 27.6 | Very low | 29.6 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | 73.1 | 129.2 | 119.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 379 | D | 26.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | 109.1 | 125.4 | 128.3 | -92.4 | -15.6 | 0 | 0 | 0 | 123.6 | |||||
| 380 | L | 27.8 | Very low | 29.7 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 83.7 | 117.2 | 138.4 | -71 | 162 | 0 | 0 | 0 | 123.8 | ||||
| 381 | E | 28.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 33 | 150.3 | 122.3 | -76.5 | -168.6 | 146.5 | 0 | 0 | 120.8 | |||||
| 382 | E | 28.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 64% | 0.64 | 77% | 0.771 | S | S | * | * | cis | -170.9 | 147.4 | 18.2 | -128.2 | -165.7 | 148.3 | 0 | 0 | 111.6 | ||||
| 383 | Q | 31 | Very low | 30.5 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 59.7 | 172.3 | 138.4 | -85 | -169.9 | 3.8 | 0 | 0 | 125 | ||||
| 384 | P | 43.7 | Very low | 30.6 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | -139.3 | -172 | -51.6 | 40.8 | -22.8 | 0 | 0 | 0 | 112.8 | |||||
| 385 | V | 25.1 | Very low | 30.9 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -178.4 | 132.6 | 133.7 | 165.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 386 | T | 29.1 | Very low | 31.3 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -115.2 | 152.9 | 174.6 | -26.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 387 | R | 27.5 | Very low | 31.6 | Very low | 248 Ų | 248 | 149.6 Ų | 149.6 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -175 | 131 | 136.1 | -106.9 | -177.6 | -173.4 | -177.5 | 3.3 | 114.8 | ||||
| 388 | D | 30.3 | Very low | 32 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -84.8 | 160.1 | 170.6 | -56.1 | -63.6 | 0 | 0 | 0 | 113.8 | ||||
| 389 | I | 30.4 | Very low | 32.7 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -157.9 | 126.7 | 143.8 | -63.1 | -165.5 | 0 | 0 | 0 | 111.4 | ||||
| 390 | E | 31.2 | Very low | 34 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -90.4 | -167.6 | 166.4 | -134.8 | -164.8 | 140.9 | 0 | 0 | 110.8 | ||||
| 391 | P | 51.3 | Low | 35.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -138.8 | 178.9 | -20.7 | 36.4 | -15.7 | 0 | 0 | 0 | 115.3 | ||||
| 392 | S | 23.7 | Very low | 36.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | 163 | 141.3 | 128.2 | 52 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 393 | S | 32.4 | Very low | 38.3 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -110.2 | 163.9 | 171.7 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 394 | P | 43.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | -158.1 | 151.2 | 81.9 | 37.2 | -14 | 0 | 0 | 0 | 119.7 | |||||
| 395 | N | 30.7 | Very low | 41.3 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | 40.8 | 133.6 | 138 | -67.9 | -22.3 | 0 | 0 | 0 | 125.5 | ||||
| 396 | H | 32.9 | Very low | 43.6 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | -155.6 | 154.5 | 126.9 | -113.1 | -76.9 | 0 | 0 | 0 | 114 | |||||
| 397 | R | 34.2 | Very low | 45.7 | Very low | 242 Ų | 242 | 135.9 Ų | 135.9 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | trans | -81.7 | 135.3 | -162.4 | -104.3 | 168.8 | 168.6 | -164.1 | -1.5 | 116.5 | ||||
| 398 | G | 37.4 | Very low | 48.2 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | 50.9 | 125.3 | 122.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 399 | I | 41.6 | Very low | 50.8 | Low | 155 Ų | 155 | 123 Ų | 123 | 80% | 0.795 | 70% | 0.702 | S | S | * | * | 177.7 | 124.6 | 119 | -87.5 | 157.9 | 0 | 0 | 0 | 110.7 | |||||
| 400 | T | 54.1 | Low | 53.5 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | 46 | 84.2 | 161.2 | 59.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 401 | E | 56.2 | Low | 56.1 | Low | 159 Ų | 159 | 113.1 Ų | 113.1 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | trans | -103.5 | -9.8 | 173.6 | -73.9 | -175 | 147.8 | 0 | 0 | 115.7 | ||||
| 402 | N | 60.5 | Low | 57.8 | Low | 119 Ų | 119 | 111 Ų | 111 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -89.1 | -19.9 | -172.7 | -58.7 | -15.3 | 0 | 0 | 0 | 114 | I406 | N402-I406 VanDerWaalsContact O-CD1 3.3Å; N402-I406 WeakPolarHBondContact O-CD1 3.31Å; N402-I406 WeakPolarHBondContact O-CG1 3.44Å; N402-I406 PolarHBondContact O-N 3.35Å |
| 403 | T | 58.9 | Low | 60.9 | Low | 105 Ų | 105 | 110 Ų | 110 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.7 | -34.1 | -178.2 | -48.5 | 0 | 0 | 0 | 0 | 112.1 | A407 | T403-A407 WeakPolarHBondContact O-CB 3.49Å; T403-A407 PolarHBondContact O-N 2.95Å |
| 404 | A | 64 | Low | 63.7 | Low | 76 Ų | 76 | 109 Ų | 109 | 63% | 0.628 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.8 | -38.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G408 | A404-G408 PolarHBondContact O-N 3.49Å |
| 405 | I | 73.4 | Confident | 66 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 58% | 0.579 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.4 | -44.5 | 179.2 | -58.9 | 173.2 | 0 | 0 | 0 | 110.3 | A407 G408 V409 | I405-A407 PolarHBondContact O-N 3.35Å; I405-G408 PolarHBondContact O-N 3.23Å; I405-V409 WeakPolarHBondContact O-CG2 3.42Å; I405-V409 PolarHBondContact O-N 2.77Å |
| 406 | I | 73.3 | Confident | 68.9 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 177.7 | -64.3 | 167.5 | 0 | 0 | 0 | 110.6 | N402 G408 V409 V410 | N402-I406 VanDerWaalsContact O-CD1 3.3Å; N402-I406 WeakPolarHBondContact O-CD1 3.31Å; N402-I406 WeakPolarHBondContact O-CG1 3.44Å; N402-I406 PolarHBondContact O-N 3.35Å; I406-G408 VanDerWaalsContact C-N 3.32Å; I406-G408 PolarHBondContact O-N 3.1Å; I406-V409 PolarHBondContact O-N 3.05Å; I406-V410 HydrophobicContact CG2-CG2 4.36Å; I406-V410 WeakPolarHBondContact O-CB 3.31Å; I406-V410 VanDerWaalsContact O-CG2 3.26Å; I406-V410 WeakPolarHBondContact O-CG2 3.36Å; I406-V410 PolarHBondContact O-N 3.28Å |
| 407 | A | 72.2 | Confident | 71.8 | Confident | 58 Ų | 58 | 100.9 Ų | 100.9 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.5 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T403 I405 A411 | T403-A407 WeakPolarHBondContact O-CB 3.49Å; T403-A407 PolarHBondContact O-N 2.95Å; I405-A407 PolarHBondContact O-N 3.35Å; A407-A411 VanDerWaalsContact O-CB 3.24Å; A407-A411 WeakPolarHBondContact O-CB 3.3Å; A407-A411 PolarHBondContact O-N 3.43Å |
| 408 | G | 80 | Confident | 74.4 | Confident | 41 Ų | 41 | 92.4 Ų | 92.4 | 42% | 0.423 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.7 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A404 I405 I406 A411 A412 | A404-G408 PolarHBondContact O-N 3.49Å; I405-G408 PolarHBondContact O-N 3.23Å; I406-G408 VanDerWaalsContact C-N 3.32Å; I406-G408 PolarHBondContact O-N 3.1Å; G408-A411 PolarHBondContact O-N 3.34Å; G408-A412 WeakPolarHBondContact O-CB 2.93Å; G408-A412 PolarHBondContact O-N 3.06Å |
| 409 | V | 85.7 | Confident | 77 | Confident | 82 Ų | 82 | 93.9 Ų | 93.9 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.8 | -42.3 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | I405 I406 A412 L413 | I405-V409 WeakPolarHBondContact O-CG2 3.42Å; I405-V409 PolarHBondContact O-N 2.77Å; I406-V409 PolarHBondContact O-N 3.05Å; V409-A412 PolarHBondContact O-N 3.28Å; V409-L413 HydrophobicContact CG1-CD1 4.12Å; V409-L413 WeakPolarHBondContact O-CG 3.2Å; V409-L413 PolarHBondContact O-N 3.35Å |
| 410 | V | 86.1 | Confident | 79.2 | Confident | 82 Ų | 82 | 89.7 Ų | 89.7 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | I406 A412 L413 V414 | I406-V410 HydrophobicContact CG2-CG2 4.36Å; I406-V410 WeakPolarHBondContact O-CB 3.31Å; I406-V410 VanDerWaalsContact O-CG2 3.26Å; I406-V410 WeakPolarHBondContact O-CG2 3.36Å; I406-V410 PolarHBondContact O-N 3.28Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 3.16Å; V410-L413 PolarHBondContact O-N 2.64Å; V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 2.72Å |
| 411 | A | 85.8 | Confident | 80.9 | Confident | 58 Ų | 58 | 89.6 Ų | 89.6 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A407 G408 V414 L415 | A407-A411 VanDerWaalsContact O-CB 3.24Å; A407-A411 WeakPolarHBondContact O-CB 3.3Å; A407-A411 PolarHBondContact O-N 3.43Å; G408-A411 PolarHBondContact O-N 3.34Å; A411-V414 PolarHBondContact O-N 2.93Å; A411-L415 WeakPolarHBondContact O-CB 3.19Å; A411-L415 PolarHBondContact O-N 3Å |
| 412 | A | 87.4 | Confident | 82.5 | Confident | 54 Ų | 54 | 87.1 Ų | 87.1 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G408 V409 V410 L415 L416 | G408-A412 WeakPolarHBondContact O-CB 2.93Å; G408-A412 PolarHBondContact O-N 3.06Å; V409-A412 PolarHBondContact O-N 3.28Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 3.16Å; A412-L415 PolarHBondContact O-N 3.49Å; A412-L416 WeakPolarHBondContact O-CB 3.48Å; A412-L416 PolarHBondContact O-N 3.11Å |
| 413 | L | 89.6 | Confident | 83.6 | Confident | 104 Ų | 104 | 83.7 Ų | 83.7 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.2 | -76.8 | 169.9 | 0 | 0 | 0 | 112.2 | V409 V410 L416 V417 | V409-L413 HydrophobicContact CG1-CD1 4.12Å; V409-L413 WeakPolarHBondContact O-CG 3.2Å; V409-L413 PolarHBondContact O-N 3.35Å; V410-L413 PolarHBondContact O-N 2.64Å; L413-L416 PolarHBondContact O-N 3.03Å; L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 2.97Å |
| 414 | V | 90.7 | Very high | 84.8 | Confident | 86 Ų | 86 | 82.7 Ų | 82.7 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | V410 A411 L416 V417 T418 | V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 2.72Å; A411-V414 PolarHBondContact O-N 2.93Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 2.94Å; V414-V417 PolarHBondContact O-N 3.49Å; V414-T418 HydrophobicContact CG1-CG2 4.36Å; V414-T418 WeakPolarHBondContact O-CG2 3.49Å; V414-T418 PolarHBondContact O-N 2.94Å; V414-T418 PolarHBondContact O-OG1 3.22Å |
| 415 | L | 91.9 | Very high | 85.9 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 175.5 | -120 | 159.8 | 0 | 0 | 0 | 111.5 | A411 A412 V417 T418 L419 | A411-L415 WeakPolarHBondContact O-CB 3.19Å; A411-L415 PolarHBondContact O-N 3Å; A412-L415 PolarHBondContact O-N 3.49Å; L415-V417 PolarHBondContact O-N 3.27Å; L415-T418 WeakPolarHBondContact CA-OG1 3.46Å; L415-T418 PolarHBondContact O-N 3.38Å; L415-T418 PolarHBondContact O-OG1 2.96Å; L415-L419 HydrophobicContact CD2-CD1 4.05Å; L415-L419 HydrophobicContact CD2-CG 4.24Å; L415-L419 WeakPolarHBondContact O-CB 3.37Å; L415-L419 WeakPolarHBondContact O-CG 3.47Å; L415-L419 PolarHBondContact O-N 2.76Å |
| 416 | L | 91.5 | Very high | 86.3 | Confident | 107 Ų | 107 | 88 Ų | 88 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 178.6 | -127.5 | 161.9 | 0 | 0 | 0 | 111.8 | A412 L413 V414 L419 T420 | A412-L416 WeakPolarHBondContact O-CB 3.48Å; A412-L416 PolarHBondContact O-N 3.11Å; L413-L416 PolarHBondContact O-N 3.03Å; V414-L416 VanDerWaalsContact C-N 3.33Å; V414-L416 PolarHBondContact O-N 2.94Å; L416-L419 PolarHBondContact O-N 2.95Å; L416-T420 HydrophobicContact CD2-CG2 4.2Å; L416-T420 WeakPolarHBondContact O-CG2 3.21Å; L416-T420 PolarHBondContact O-N 2.96Å; L416-T420 PolarHBondContact O-OG1 3.35Å |
| 417 | V | 92.5 | Very high | 86.5 | Confident | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | L413 V414 L415 T420 L421 | L413-V417 WeakPolarHBondContact O-CG2 3.42Å; L413-V417 PolarHBondContact O-N 2.97Å; V414-V417 PolarHBondContact O-N 3.49Å; L415-V417 PolarHBondContact O-N 3.27Å; V417-T420 WeakPolarHBondContact CA-OG1 3.26Å; V417-T420 PolarHBondContact O-N 2.95Å; V417-T420 PolarHBondContact O-OG1 3.15Å; V417-L421 HydrophobicContact CG1-CD1 4.06Å; V417-L421 HydrophobicContact CG1-CG 4.46Å; V417-L421 WeakPolarHBondContact O-CB 3.46Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.27Å |
| 418 | T | 89.4 | Confident | 86.6 | Confident | 64 Ų | 64 | 91.4 Ų | 91.4 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 175.8 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | V414 L415 L421 L422 | V414-T418 HydrophobicContact CG1-CG2 4.36Å; V414-T418 WeakPolarHBondContact O-CG2 3.49Å; V414-T418 PolarHBondContact O-N 2.94Å; V414-T418 PolarHBondContact O-OG1 3.22Å; L415-T418 WeakPolarHBondContact CA-OG1 3.46Å; L415-T418 PolarHBondContact O-N 3.38Å; L415-T418 PolarHBondContact O-OG1 2.96Å; T418-L421 PolarHBondContact O-N 3.11Å; T418-L422 WeakPolarHBondContact O-CB 3.37Å; T418-L422 WeakPolarHBondContact O-CG 3.24Å; T418-L422 PolarHBondContact O-N 2.92Å |
| 419 | L | 92.1 | Very high | 86.3 | Confident | 102 Ų | 102 | 92.1 Ų | 92.1 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 176.5 | -72.4 | 171.8 | 0 | 0 | 0 | 111.8 | L415 L416 L422 A423 | L415-L419 HydrophobicContact CD2-CD1 4.05Å; L415-L419 HydrophobicContact CD2-CG 4.24Å; L415-L419 WeakPolarHBondContact O-CB 3.37Å; L415-L419 WeakPolarHBondContact O-CG 3.47Å; L415-L419 PolarHBondContact O-N 2.76Å; L416-L419 PolarHBondContact O-N 2.95Å; L419-L422 PolarHBondContact O-N 3.43Å; L419-A423 WeakPolarHBondContact O-CB 3.33Å; L419-A423 PolarHBondContact O-N 3.45Å |
| 420 | T | 88.3 | Confident | 85.6 | Confident | 66 Ų | 66 | 93 Ų | 93 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 111.7 | L416 V417 A423 V424 | L416-T420 HydrophobicContact CD2-CG2 4.2Å; L416-T420 WeakPolarHBondContact O-CG2 3.21Å; L416-T420 PolarHBondContact O-N 2.96Å; L416-T420 PolarHBondContact O-OG1 3.35Å; V417-T420 WeakPolarHBondContact CA-OG1 3.26Å; V417-T420 PolarHBondContact O-N 2.95Å; V417-T420 PolarHBondContact O-OG1 3.15Å; T420-A423 PolarHBondContact O-N 2.9Å; T420-V424 WeakPolarHBondContact O-CB 3.35Å; T420-V424 VanDerWaalsContact O-CG2 3.29Å; T420-V424 WeakPolarHBondContact O-CG2 3.33Å; T420-V424 PolarHBondContact O-N 3.47Å |
| 421 | L | 90.3 | Very high | 84.3 | Confident | 113 Ų | 113 | 94.4 Ų | 94.4 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 174.5 | -72.3 | 173.7 | 0 | 0 | 0 | 112.1 | V417 T418 V424 Y425 | V417-L421 HydrophobicContact CG1-CD1 4.06Å; V417-L421 HydrophobicContact CG1-CG 4.46Å; V417-L421 WeakPolarHBondContact O-CB 3.46Å; V417-L421 WeakPolarHBondContact O-CG 3.41Å; V417-L421 PolarHBondContact O-N 3.27Å; T418-L421 PolarHBondContact O-N 3.11Å; L421-V424 PolarHBondContact O-N 2.96Å; L421-Y425 WeakPolarHBondContact O-CB 3.33Å; L421-Y425 PolarHBondContact O-N 2.99Å |
| 422 | L | 88.6 | Confident | 82.9 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 173.8 | -79.2 | 168.8 | 0 | 0 | 0 | 112 | T418 L419 Y425 Y426 | T418-L422 WeakPolarHBondContact O-CB 3.37Å; T418-L422 WeakPolarHBondContact O-CG 3.24Å; T418-L422 PolarHBondContact O-N 2.92Å; L419-L422 PolarHBondContact O-N 3.43Å; L422-Y425 PolarHBondContact O-N 3.33Å; L422-Y426 WeakPolarHBondContact O-CB 3.32Å; L422-Y426 PolarHBondContact O-N 3.45Å |
| 423 | A | 84.1 | Confident | 81 | Confident | 48 Ų | 48 | 101.6 Ų | 101.6 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L419 T420 Y426 I427 | L419-A423 WeakPolarHBondContact O-CB 3.33Å; L419-A423 PolarHBondContact O-N 3.45Å; T420-A423 PolarHBondContact O-N 2.9Å; A423-Y426 PolarHBondContact O-N 2.94Å; A423-I427 WeakPolarHBondContact O-CB 3.4Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.33Å; A423-I427 PolarHBondContact O-N 3.35Å |
| 424 | V | 83.4 | Confident | 79 | Confident | 83 Ų | 83 | 100.4 Ų | 100.4 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | T420 L421 N428 | T420-V424 WeakPolarHBondContact O-CB 3.35Å; T420-V424 VanDerWaalsContact O-CG2 3.29Å; T420-V424 WeakPolarHBondContact O-CG2 3.33Å; T420-V424 PolarHBondContact O-N 3.47Å; L421-V424 PolarHBondContact O-N 2.96Å; V424-N428 WeakPolarHBondContact O-CB 3.35Å; V424-N428 PolarHBondContact O-N 3.4Å |
| 425 | Y | 87.6 | Confident | 76.9 | Confident | 155 Ų | 155 | 101.7 Ų | 101.7 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.6 | -49.3 | 174.5 | 179.7 | -100.4 | 0 | 0 | 0 | 110.8 | L421 L422 I427 N428 T429 | L421-Y425 WeakPolarHBondContact O-CB 3.33Å; L421-Y425 PolarHBondContact O-N 2.99Å; L422-Y425 PolarHBondContact O-N 3.33Å; Y425-I427 PolarHBondContact O-N 3.42Å; Y425-N428 CarbonylContact O-C 3.59Å; Y425-N428 PolarHBondContact O-N 3.35Å; Y425-N428 VanDerWaalsContact O-N 3.16Å; Y425-T429 HydrophobicContact CD1-CG2 4.28Å; Y425-T429 HydrophobicContact CD2-CG2 4.07Å; Y425-T429 HydrophobicContact CE1-CG2 3.91Å; Y425-T429 HydrophobicContact CE2-CG2 3.68Å; Y425-T429 HydrophobicContact CG-CG2 4.35Å; Y425-T429 WeakPolarHBondContact O-CG2 3.36Å; Y425-T429 PolarHBondContact O-N 2.97Å; Y425-T429 PolarHBondContact O-OG1 3.02Å |
| 426 | Y | 81.7 | Confident | 74.6 | Confident | 145 Ų | 145 | 102.3 Ų | 102.3 | 57% | 0.569 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.6 | -43.7 | 179.3 | -175.2 | -94.7 | 0 | 0 | 0 | 112.5 | L422 A423 N428 T429 H430 | L422-Y426 WeakPolarHBondContact O-CB 3.32Å; L422-Y426 PolarHBondContact O-N 3.45Å; A423-Y426 PolarHBondContact O-N 2.94Å; Y426-N428 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 2.94Å; Y426-T429 PolarHBondContact O-N 3.29Å; Y426-T429 PolarHBondContact O-OG1 3.34Å; Y426-H430 AromaticContact CD2-CD2 3.77Å; Y426-H430 AromaticContact CE2-CD2 3.55Å; Y426-H430 WeakPolarHBondContact O-CB 3.44Å; Y426-H430 PolarHBondContact O-N 3.39Å |
| 427 | I | 77.8 | Confident | 72.4 | Confident | 111 Ų | 111 | 106.7 Ų | 106.7 | 57% | 0.569 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.9 | -39.7 | 176.1 | -68.7 | 164.2 | 0 | 0 | 0 | 110.8 | A423 Y425 H430 | A423-I427 WeakPolarHBondContact O-CB 3.4Å; A423-I427 WeakPolarHBondContact O-CD1 3.49Å; A423-I427 WeakPolarHBondContact O-CG1 3.33Å; A423-I427 PolarHBondContact O-N 3.35Å; Y425-I427 PolarHBondContact O-N 3.42Å; I427-H430 CarbonylContact O-C 3.55Å |
| 428 | N | 73.4 | Confident | 70.3 | Confident | 129 Ų | 129 | 113.8 Ų | 113.8 | 69% | 0.69 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.4 | -27.7 | 178.7 | -84.3 | -15.2 | 0 | 0 | 0 | 113.6 | V424 Y425 Y426 | V424-N428 WeakPolarHBondContact O-CB 3.35Å; V424-N428 PolarHBondContact O-N 3.4Å; Y425-N428 CarbonylContact O-C 3.59Å; Y425-N428 PolarHBondContact O-N 3.35Å; Y425-N428 VanDerWaalsContact O-N 3.16Å; Y426-N428 VanDerWaalsContact C-N 3.34Å; Y426-N428 PolarHBondContact O-N 2.94Å |
| 429 | T | 75.1 | Confident | 68.3 | Low | 57 Ų | 57 | 118.9 Ų | 118.9 | 35% | 0.35 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -89.8 | -16.8 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | Y425 Y426 | Y425-T429 HydrophobicContact CD1-CG2 4.28Å; Y425-T429 HydrophobicContact CD2-CG2 4.07Å; Y425-T429 HydrophobicContact CE1-CG2 3.91Å; Y425-T429 HydrophobicContact CE2-CG2 3.68Å; Y425-T429 HydrophobicContact CG-CG2 4.35Å; Y425-T429 WeakPolarHBondContact O-CG2 3.36Å; Y425-T429 PolarHBondContact O-N 2.97Å; Y425-T429 PolarHBondContact O-OG1 3.02Å; Y426-T429 PolarHBondContact O-N 3.29Å; Y426-T429 PolarHBondContact O-OG1 3.34Å |
| 430 | H | 70.2 | Confident | 65.6 | Low | 99 Ų | 99 | 123.2 Ų | 123.2 | 46% | 0.458 | 66% | 0.656 | S | S | . | * | trans | -133.5 | 82 | 175.9 | -61.5 | -57.5 | 0 | 0 | 0 | 111.6 | Y426 I427 T432 | Y426-H430 AromaticContact CD2-CD2 3.77Å; Y426-H430 AromaticContact CE2-CD2 3.55Å; Y426-H430 WeakPolarHBondContact O-CB 3.44Å; Y426-H430 PolarHBondContact O-N 3.39Å; I427-H430 CarbonylContact O-C 3.55Å; H430-T432 VanDerWaalsContact C-N 3.28Å; H430-T432 PolarHBondContact O-N 3.49Å | ||
| 431 | P | 57.9 | Low | 63.2 | Low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | -71.5 | 86.2 | 169.9 | 29.5 | -31.8 | 0 | 0 | 0 | 109.1 | V433 | P431-V433 PolarHBondContact O-N 3.28Š| ||
| 432 | T | 57 | Low | 60.5 | Low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | -78.4 | 117.6 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | H430 | H430-T432 VanDerWaalsContact C-N 3.28Å; H430-T432 PolarHBondContact O-N 3.49Å | ||
| 433 | V | 47.2 | Very low | 58.1 | Low | 141 Ų | 141 | 139 Ų | 139 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | trans | -58.6 | 127.6 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | P431 | P431-V433 PolarHBondContact O-N 3.28Š| ||
| 434 | A | 48.9 | Very low | 55.5 | Low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | 60.3 | 130.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 435 | P | 45 | Very low | 53.4 | Low | 113 Ų | 113 | 146 Ų | 146 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -79.5 | 141.3 | 175.5 | 30.7 | -31.5 | 0 | 0 | 0 | 112.7 | ||||
| 436 | P | 44 | Very low | 51 | Low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -93.3 | 100 | 177.7 | 34.9 | -27.8 | 0 | 0 | 0 | 110.4 | ||||
| 437 | F | 46.8 | Very low | 48.7 | Very low | 199 Ų | 199 | 148.1 Ų | 148.1 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | trans | -133.8 | 56.2 | 160.9 | -69.5 | -69.3 | 0 | 0 | 0 | 110.8 | ||||
| 438 | Y | 46.9 | Very low | 46.5 | Very low | 231 Ų | 231 | 154 Ų | 154 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -93 | 110.9 | 148.3 | -84.6 | -88.8 | 0 | 0 | 0 | 106.4 | ||||
| 439 | L | 47.9 | Very low | 44.5 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 90% | 0.895 | 76% | 0.756 | S | S | * | * | trans | 166.9 | 79.1 | 146.6 | -87.2 | 172 | 0 | 0 | 0 | 110.6 | ||||
| 440 | M | 35.8 | Very low | 42.4 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 96% | 0.956 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 71.9 | 141.6 | -86.8 | -131.9 | 178.4 | 0 | 0 | 108.8 | R442 | M440-R442 PolarHBondContact O-N 3.17Š| ||
| 441 | Q | 36.8 | Very low | 40.4 | Very low | 169 Ų | 169 | 156 Ų | 156 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -82.8 | 91.2 | 164.8 | -176.6 | 155.8 | 6.5 | 0 | 0 | 108.8 | R443 | Q441-R443 HydrophobicContact CG-CG 4.44Š| ||
| 442 | R | 34.5 | Very low | 39.3 | Very low | 236 Ų | 236 | 160.3 Ų | 160.3 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -90.8 | 98.5 | 160.7 | -159.4 | 177.4 | -142.7 | -177.6 | 6.1 | 108.1 | M440 T444 | M440-R442 PolarHBondContact O-N 3.17Å; R442-T444 PolarHBondContact O-N 2.76Å; R442-T444 VanDerWaalsContact O-N 3.17Å | ||
| 443 | R | 37.6 | Very low | 38 | Very low | 212 Ų | 212 | 163.1 Ų | 163.1 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -59.7 | 111.8 | 166.2 | -78.9 | 179.9 | 179 | 171.2 | -0.8 | 108.8 | Q441 | Q441-R443 HydrophobicContact CG-CG 4.44Š| ||
| 444 | T | 31.1 | Very low | 37.1 | Very low | 139 Ų | 139 | 166 Ų | 166 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -122.1 | 113.5 | 134.5 | 52.1 | 0 | 0 | 0 | 0 | 106.9 | R442 N446 | R442-T444 PolarHBondContact O-N 2.76Å; R442-T444 VanDerWaalsContact O-N 3.17Å; T444-N446 PolarHBondContact O-N 3.25Å | ||
| 445 | N | 37.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 167.6 Ų | 167.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -79.9 | 110.4 | -174.1 | -174.7 | 43.9 | 0 | 0 | 0 | 107.2 | ||||
| 446 | N | 36.8 | Very low | 35.9 | Very low | 144 Ų | 144 | 169.2 Ų | 169.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -146.2 | 96.1 | 153.4 | -86.3 | -24.9 | 0 | 0 | 0 | 107.4 | T444 W448 | T444-N446 PolarHBondContact O-N 3.25Å; N446-W448 PolarHBondContact O-N 3.25Å; N446-W448 VanDerWaalsContact O-N 3.15Å | ||
| 447 | Y | 34.4 | Very low | 35.2 | Very low | 201 Ų | 201 | 169.7 Ų | 169.7 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -60.4 | 104.1 | 174.1 | -164.6 | -92.8 | 0 | 0 | 0 | 109 | P449 | Y447-P449 HydrophobicContact CD1-CG 4.5Å; Y447-P449 HydrophobicContact CE1-CB 4.17Å; Y447-P449 HydrophobicContact CE1-CG 4.46Å | ||
| 448 | W | 31.2 | Very low | 34.4 | Very low | 234 Ų | 234 | 165.8 Ų | 165.8 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -97.1 | 111 | 157.7 | -74.5 | 95.5 | 0 | 0 | 0 | 106.7 | N446 S450 | N446-W448 PolarHBondContact O-N 3.25Å; N446-W448 VanDerWaalsContact O-N 3.15Å; W448-S450 PolarHBondContact O-N 2.89Å | ||
| 449 | P | 31.9 | Very low | 33.8 | Very low | 73 Ų | 73 | 163.9 Ų | 163.9 | 47% | 0.474 | 79% | 0.791 | S | S | . | * | trans | -63.7 | 129.3 | 168.6 | 23.7 | -22 | 0 | 0 | 0 | 106.7 | Y447 M451 | Y447-P449 HydrophobicContact CD1-CG 4.5Å; Y447-P449 HydrophobicContact CE1-CB 4.17Å; Y447-P449 HydrophobicContact CE1-CG 4.46Å; P449-M451 PolarHBondContact O-N 2.91Å | ||
| 450 | S | 31.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 158.4 Ų | 158.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -60.2 | 82.6 | 162.7 | 58.3 | 0 | 0 | 0 | 0 | 108 | W448 K452 | W448-S450 PolarHBondContact O-N 2.89Å; S450-K452 VanDerWaalsContact C-N 3.26Å; S450-K452 PolarHBondContact O-N 3.43Å | ||
| 451 | M | 28.1 | Very low | 34.6 | Very low | 135 Ų | 135 | 153.3 Ų | 153.3 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | trans | -69.3 | 96.9 | 161 | -79.9 | 173.4 | 75.4 | 0 | 0 | 105.1 | P449 F453 | P449-M451 PolarHBondContact O-N 2.91Å; M451-F453 VanDerWaalsContact C-N 3.28Å; M451-F453 PolarHBondContact O-N 2.9Å | ||
| 452 | K | 34 | Very low | 36.1 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 72% | 0.721 | S | S | * | * | trans | -50 | 108.3 | 147.8 | -76.3 | -176.5 | 175 | -178.7 | 0 | 104.8 | S450 R454 | S450-K452 VanDerWaalsContact C-N 3.26Å; S450-K452 PolarHBondContact O-N 3.43Å; K452-R454 PolarHBondContact O-N 3.47Å | ||
| 453 | F | 29.7 | Very low | 37.9 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -62.2 | 95.6 | 170.4 | -76.2 | -80 | 0 | 0 | 0 | 106.6 | M451 N455 | M451-F453 VanDerWaalsContact C-N 3.28Å; M451-F453 PolarHBondContact O-N 2.9Å; F453-N455 VanDerWaalsContact C-N 3.32Å; F453-N455 PolarHBondContact O-N 3.46Å | ||
| 454 | R | 28.8 | Very low | 39.5 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | trans | -55.5 | 107.8 | 149.3 | 178 | 176 | 173.9 | 175.9 | -2.4 | 104.4 | K452 Q456 | K452-R454 PolarHBondContact O-N 3.47Å; R454-Q456 VanDerWaalsContact C-N 3.31Å; R454-Q456 PolarHBondContact O-N 2.99Å | ||
| 455 | N | 39.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | trans | -45.3 | 95.5 | 172.6 | -88.9 | -25.1 | 0 | 0 | 0 | 109.8 | F453 | F453-N455 VanDerWaalsContact C-N 3.32Å; F453-N455 PolarHBondContact O-N 3.46Å | ||
| 456 | Q | 28.7 | Very low | 42 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | trans | -130.7 | 105.7 | 163.2 | -84.3 | -175.1 | -18.9 | 0 | 0 | 106.5 | R454 | R454-Q456 VanDerWaalsContact C-N 3.31Å; R454-Q456 PolarHBondContact O-N 2.99Å | ||
| 457 | S | 30.4 | Very low | 42.7 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 85% | 0.846 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 68.1 | 68.7 | 157 | -168.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 458 | C | 29.7 | Very low | 42.9 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 80% | 0.797 | 61% | 0.612 | S | S | * | * | trans | -145.2 | 129.1 | 139.5 | -98.9 | 0 | 0 | 0 | 0 | 108.1 | S460 | C458-S460 VanDerWaalsContact C-N 3.33Å; C458-S460 PolarHBondContact O-N 2.87Å | ||
| 459 | H | 32.9 | Very low | 42.9 | Very low | 191 Ų | 191 | 114.3 Ų | 114.3 | 88% | 0.884 | 61% | 0.607 | S | S | * | * | trans | -64.3 | 96.1 | 166.9 | -74.4 | -91.2 | 0 | 0 | 0 | 107.3 | T461 | H459-T461 PolarHBondContact O-N 2.89Š| ||
| 460 | S | 43.4 | Very low | 43.1 | Very low | 55 Ų | 55 | 118.4 Ų | 118.4 | 39% | 0.385 | 62% | 0.62 | S | S | . | * | trans | -65.1 | 115.4 | 168.5 | -174.3 | 0 | 0 | 0 | 0 | 107 | C458 Y462 | C458-S460 VanDerWaalsContact C-N 3.33Å; C458-S460 PolarHBondContact O-N 2.87Å; S460-Y462 PolarHBondContact O-N 3.48Å; S460-Y462 PolarHBondContact OG-O 3.35Å | ||
| 461 | T | 58 | Low | 43.8 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 53% | 0.534 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -76.9 | -3.1 | -179.1 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | H459 | H459-T461 PolarHBondContact O-N 2.89Š|
| 462 | Y | 67.4 | Low | 44.4 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 27% | 0.267 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -132 | 153.9 | -179 | 57.5 | -90.8 | 0 | 0 | 0 | 111 | F256 Y274 E275 S460 | F256-Y462 HydrophobicContact CE1-CD2 4.36Å; F256-Y462 HydrophobicContact CE1-CG 4.23Å; F256-Y462 HydrophobicContact CZ-CD2 4.18Å; F256-Y462 HydrophobicContact CZ-CE2 4.24Å; F256-Y462 HydrophobicContact CZ-CG 4.44Å; Y274-Y462 AromaticContact CD1-CD2 3.75Å; Y274-Y462 HydrophobicContact CD1-CD2 3.75Å; Y274-Y462 AromaticContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CD1-CE2 3.93Å; Y274-Y462 HydrophobicContact CE1-CE2 4.39Å; Y274-Y462 HydrophobicContact CG-CD2 4.16Å; Y274-Y462 HydrophobicContact CG-CE2 4.4Å; E275-Y462 CarbonylContact O-C 3.52Å; E275-Y462 VanDerWaalsContact O-CA 3.25Å; E275-Y462 WeakPolarHBondContact O-CA 3.29Å; E275-Y462 VanDerWaalsContact O-CB 3.28Å; E275-Y462 WeakPolarHBondContact O-CB 3.39Å; S460-Y462 PolarHBondContact O-N 3.48Å; S460-Y462 PolarHBondContact OG-O 3.35Å |
| 463 | A | 73.9 | Confident | 45.2 | Very low | 19 Ų | 19 | 114.8 Ų | 114.8 | 16% | 0.157 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R79 V81 Y274 E275 | R79-A463 WeakPolarHBondContact O-CB 3.16Å; V81-A463 HydrophobicContact CG2-CB 3.67Å; Y274-A463 WeakPolarHBondContact CA-O 3.26Å; E275-A463 PolarHBondContact N-O 2.84Å; E275-A463 PolarHBondContact O-N 2.88Å |
| 464 | E | 69.5 | Low | 46.6 | Very low | 113 Ų | 113 | 107.7 Ų | 107.7 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.8 | 168 | -175.3 | 169.8 | 175.6 | 0 | 0 | 108.8 | T272 Y274 E466 | T272-E464 HydrophobicContact CG2-CG 3.71Å; T272-E464 WeakPolarHBondContact CG2-OE1 3.28Å; Y274-E464 HydrophobicContact CD1-CB 4.04Å; Y274-E464 HydrophobicContact CD1-CG 4.49Å; Y274-E464 HydrophobicContact CE1-CB 3.75Å; Y274-E464 HydrophobicContact CE1-CG 3.99Å; E464-E466 PolarHBondContact O-N 2.82Å |
| 465 | V | 65.6 | Low | 48.3 | Very low | 30 Ų | 30 | 99 Ų | 99 | 18% | 0.182 | 53% | 0.534 | C | S | . | . | trans | -83.8 | 102.6 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 108 | A167 T168 I273 E275 L467 | A167-V465 HydrophobicContact CB-CG1 4.14Å; T168-V465 HydrophobicContact CG2-CB 4.19Å; T168-V465 HydrophobicContact CG2-CG1 4.12Å; T168-V465 HydrophobicContact CG2-CG2 3.54Å; I273-V465 PolarHBondContact O-N 3.31Å; E275-V465 HydrophobicContact CB-CG2 3.83Å; V465-L467 PolarHBondContact O-N 2.95Å | ||
| 466 | E | 55.9 | Low | 49.8 | Very low | 143 Ų | 143 | 98.7 Ų | 98.7 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | trans | -59.2 | 122.7 | 174.4 | -68.5 | -175.4 | 175.3 | 0 | 0 | 109.3 | E464 G468 | E464-E466 PolarHBondContact O-N 2.82Å; E466-G468 PolarHBondContact O-N 3.47Å | ||
| 467 | L | 51.3 | Low | 51.8 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | trans | -70.7 | 80.2 | 174.3 | -62.2 | 169.6 | 0 | 0 | 0 | 108.1 | M164 V465 V469 | M164-L467 HydrophobicContact CE-CB 4.18Å; M164-L467 HydrophobicContact CE-CD2 3.76Å; M164-L467 HydrophobicContact SD-CD2 3.32Å; M164-L467 WeakPolarHBondContact SD-CD2 3.38Å; V465-L467 PolarHBondContact O-N 2.95Å; L467-V469 PolarHBondContact O-N 2.81Å | ||
| 468 | G | 38.7 | Very low | 53.3 | Low | 43 Ų | 43 | 89.6 Ų | 89.6 | 44% | 0.443 | 48% | 0.477 | S | S | . | . | trans | -58.1 | 131.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E466 H470 | E466-G468 PolarHBondContact O-N 3.47Å; G468-H470 PolarHBondContact O-N 2.91Å | ||
| 469 | V | 32.7 | Very low | 53.9 | Low | 132 Ų | 132 | 91.7 Ų | 91.7 | 80% | 0.8 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -2.7 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | L467 | L467-V469 PolarHBondContact O-N 2.81Š|
| 470 | H | 35.1 | Very low | 54.2 | Low | 160 Ų | 160 | 89.3 Ų | 89.3 | 74% | 0.741 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -11.6 | -175.2 | -70.9 | -68.1 | 0 | 0 | 0 | 115.5 | G468 K472 | G468-H470 PolarHBondContact O-N 2.91Å; H470-K472 VanDerWaalsContact C-N 3.28Å; H470-K472 PolarHBondContact O-N 3.16Å |
| 471 | E | 46.6 | Very low | 53.6 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 28% | 0.28 | 48% | 0.484 | S | S | . | . | trans | -83 | 73 | 169.4 | -70.1 | -168.6 | 169.9 | 0 | 0 | 110.2 | M164 T166 E473 | M164-E471 VanDerWaalsContact CB-OE2 3.28Å; M164-E471 WeakPolarHBondContact CB-OE2 3.31Å; M164-E471 WeakPolarHBondContact CG-OE2 3.5Å; T166-E471 PolarHBondContact OG1-OE1 3.5Å; E471-E473 PolarHBondContact O-N 3.44Å | ||
| 472 | K | 40.3 | Very low | 52.3 | Low | 192 Ų | 192 | 97.3 Ų | 97.3 | 84% | 0.835 | 52% | 0.52 | S | S | * | . | trans | -64.4 | -20.8 | -178.3 | -93.9 | -176.2 | 174.9 | 177.8 | 0 | 113.8 | H470 | H470-K472 VanDerWaalsContact C-N 3.28Å; H470-K472 PolarHBondContact O-N 3.16Å | ||
| 473 | E | 51 | Low | 51.6 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -149.2 | 109.1 | -177.1 | -64.5 | 170.6 | -177.2 | 0 | 0 | 110.1 | R126 E471 | R126-E473 IonicContact NH1-OE2 3.81Å; R126-E473 PolarHBondContact NH1-OE2 3.3Å; E471-E473 PolarHBondContact O-N 3.44Å |
| 474 | G | 58.5 | Low | 50.4 | Low | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -75.7 | 169.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R163 | R163-G474 WeakPolarHBondContact O-CA 3.21Š|
| 475 | F | 64.8 | Low | 49.3 | Very low | 20 Ų | 20 | 102.4 Ų | 102.4 | 9% | 0.088 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -68.1 | 137.2 | 174 | -76 | -98.6 | 0 | 0 | 0 | 110.9 | R126 A128 A150 F154 L165 T166 H246 | R126-F475 VanDerWaalsContact C-CD1 3.43Å; R126-F475 HydrophobicContact CB-CD1 4.32Å; R126-F475 HydrophobicContact CB-CE1 4.4Å; R126-F475 HydrophobicContact CG-CE1 4.48Å; R126-F475 HydrophobicContact CG-CZ 4.47Å; R126-F475 WeakPolarHBondContact O-CA 3.33Å; A128-F475 HydrophobicContact CB-CB 4.39Å; A128-F475 HydrophobicContact CB-CD1 4.44Å; A150-F475 HydrophobicContact CB-CD1 4.05Å; A150-F475 HydrophobicContact CB-CE1 3.92Å; F154-F475 HydrophobicContact CE1-CE1 4.22Å; F154-F475 AromaticContact CE1-CE2 3.86Å; F154-F475 HydrophobicContact CE1-CE2 3.86Å; F154-F475 AromaticContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CE1-CZ 3.68Å; F154-F475 HydrophobicContact CZ-CD2 4.25Å; F154-F475 HydrophobicContact CZ-CE2 4.01Å; F154-F475 HydrophobicContact CZ-CZ 4.2Å; L165-F475 HydrophobicContact CD1-CB 3.93Å; T166-F475 HydrophobicContact CG2-CD2 4.01Å; T166-F475 HydrophobicContact CG2-CE2 3.43Å; T166-F475 VanDerWaalsContact CG2-CE2 3.43Å; T166-F475 HydrophobicContact CG2-CZ 4.37Å; H246-F475 AromaticContact NE2-CE2 3.26Å; H246-F475 VanDerWaalsContact NE2-CE2 3.26Å; H246-F475 WeakPolarHBondContact NE2-CE2 3.19Å; H246-F475 AromaticContact NE2-CZ 3.28Å; H246-F475 VanDerWaalsContact NE2-CZ 3.28Å; H246-F475 WeakPolarHBondContact NE2-CZ 3.49Å |
| 476 | I | 71.9 | Confident | 48.4 | Very low | 107 Ų | 107 | 106.7 Ų | 106.7 | 55% | 0.549 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.8 | 174.2 | -57.5 | 171.5 | 0 | 0 | 0 | 108.2 | R126 Q127 A128 A478 | R126-I476 PolarHBondContact O-N 3.39Å; Q127-I476 WeakPolarHBondContact CA-O 3.4Å; Q127-I476 PolarHBondContact OE1-O 2.89Å; A128-I476 PolarHBondContact N-O 3.4Å; I476-A478 PolarHBondContact O-N 2.82Å |
| 477 | E | 70.2 | Confident | 47.9 | Very low | 67 Ų | 67 | 104.4 Ų | 104.4 | 31% | 0.313 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.6 | 175.5 | -164.3 | -177.4 | 149 | 0 | 0 | 109.6 | A128 R130 E479 | A128-E477 CarbonylContact O-C 3.57Å; A128-E477 WeakPolarHBondContact O-CA 3.14Å; R130-E477 WeakPolarHBondContact CD-OE1 3.39Å; R130-E477 VanDerWaalsContact CG-OE1 3.28Å; R130-E477 WeakPolarHBondContact CG-OE1 3.25Å; R130-E477 IonicContact CZ-OE1 2.64Å; R130-E477 IonicContact CZ-OE2 3.48Å; R130-E477 IonicContact NE-OE1 3.12Å; R130-E477 PolarHBondContact NE-OE1 3.07Å; R130-E477 IonicContact NE-OE2 2.83Å; R130-E477 PolarHBondContact NE-OE2 2.89Å; R130-E477 IonicContact NH2-OE1 2.67Å; R130-E477 IonicContact NH2-OE2 3.3Å; R130-E477 PolarHBondContact NH2-OE2 2.79Å; E477-E479 PolarHBondContact O-N 2.98Å |
| 478 | A | 61.6 | Low | 47.7 | Very low | 11 Ų | 11 | 104.3 Ų | 104.3 | 9% | 0.091 | 57% | 0.571 | C | S | . | * | trans | -80.2 | 103.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I120 A128 A129 I476 | I120-A478 HydrophobicContact CB-CB 4.15Å; I120-A478 HydrophobicContact CD1-CB 3.81Å; I120-A478 HydrophobicContact CG2-CB 3.73Å; A128-A478 PolarHBondContact O-N 2.86Å; A129-A478 HydrophobicContact CB-CB 4.49Å; I476-A478 PolarHBondContact O-N 2.82Å | ||
| 479 | E | 43.8 | Very low | 48.3 | Very low | 161 Ų | 161 | 108.7 Ų | 108.7 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | trans | -72.1 | 129.5 | 170.6 | -67.9 | -173.4 | 170.5 | 0 | 0 | 110 | E477 C481 | E477-E479 PolarHBondContact O-N 2.98Å; E479-C481 PolarHBondContact O-N 2.87Å | ||
| 480 | H | 38.9 | Very low | 49.5 | Very low | 142 Ų | 142 | 106.9 Ų | 106.9 | 66% | 0.657 | 56% | 0.563 | S | S | * | * | trans | -81.9 | 109.1 | 171.4 | -148.2 | 83.4 | 0 | 0 | 0 | 108.2 | C482 | H480-C482 PolarHBondContact O-N 3.42Å; H480-C482 VanDerWaalsContact O-N 3.14Å | ||
| 481 | C | 30.4 | Very low | 50.7 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 81% | 0.811 | 55% | 0.549 | S | S | * | . | trans | -69 | 106.5 | 162.2 | -67.7 | 0 | 0 | 0 | 0 | 107.5 | E479 | E479-C481 PolarHBondContact O-N 2.87Š| ||
| 482 | C | 30.9 | Very low | 51.1 | Low | 190 Ų | 190 | 106.4 Ų | 106.4 | 100% | 1.284 | 57% | 0.573 | S | S | * | * | trans | -64.7 | 0 | 169.3 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | H480 | H480-C482 PolarHBondContact O-N 3.42Å; H480-C482 VanDerWaalsContact O-N 3.14Å |
Retrieved 482 of 482 residues in 437.7 ms
(Link to these results)