| 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 | 33.7 | Very low | 44.6 | Very low | 239 Ų | 239 | 129.2 Ų | 129.2 | 100% | 1.177 | 67% | 0.671 | S | S | * | * | 0 | 98.2 | 0 | -75.3 | 151.7 | 80.8 | 0 | 0 | 107.5 | |||||
| 2 | K | 30.8 | Very low | 45.2 | Very low | 216 Ų | 216 | 125.2 Ų | 125.2 | 94% | 0.939 | 66% | 0.661 | S | S | * | * | trans | -87.8 | 117.7 | 177.8 | -79.5 | 178.2 | 173.4 | 179.2 | 0 | 107.5 | S4 | K2-S4 PolarHBondContact O-N 3.48Š| ||
| 3 | I | 36.9 | Very low | 45.9 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | trans | -79.1 | 115.8 | 171.2 | -64.4 | 165.1 | 0 | 0 | 0 | 105.8 | ||||
| 4 | S | 39.9 | Very low | 46.3 | Very low | 68 Ų | 68 | 118.6 Ų | 118.6 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | trans | -65.5 | 133.7 | -177.9 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | K2 T6 F7 | K2-S4 PolarHBondContact O-N 3.48Å; S4-T6 WeakPolarHBondContact CB-OG1 3.35Å; S4-T6 PolarHBondContact O-N 3.44Å; S4-T6 VanDerWaalsContact O-N 3.09Å; S4-T6 PolarHBondContact OG-OG1 3.23Å; S4-F7 VanDerWaalsContact O-CB 3.31Å; S4-F7 WeakPolarHBondContact O-CB 3.31Å; S4-F7 PolarHBondContact O-N 3.27Å | ||
| 5 | G | 46 | Very low | 46.3 | Very low | 49 Ų | 49 | 117.8 Ų | 117.8 | 51% | 0.505 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -57.7 | -23.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F7 L8 L9 | G5-F7 VanDerWaalsContact C-N 3.25Å; G5-F7 PolarHBondContact O-N 3.16Å; G5-L8 PolarHBondContact O-N 2.82Å; G5-L9 PolarHBondContact O-N 3.31Å; G5-L9 VanDerWaalsContact O-N 3.15Å |
| 6 | T | 50.2 | Low | 46.6 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.7 | -32.9 | 171.1 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | S4 L9 Q10 | S4-T6 WeakPolarHBondContact CB-OG1 3.35Å; S4-T6 PolarHBondContact O-N 3.44Å; S4-T6 VanDerWaalsContact O-N 3.09Å; S4-T6 PolarHBondContact OG-OG1 3.23Å; T6-L9 PolarHBondContact O-N 3.32Å; T6-Q10 WeakPolarHBondContact O-CB 3.37Å; T6-Q10 PolarHBondContact O-N 3.47Å |
| 7 | F | 47.9 | Very low | 46.7 | Very low | 141 Ų | 141 | 116 Ų | 116 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.5 | -34.7 | -179.4 | -126.4 | -89.9 | 0 | 0 | 0 | 112.5 | S4 G5 M11 | S4-F7 VanDerWaalsContact O-CB 3.31Å; S4-F7 WeakPolarHBondContact O-CB 3.31Å; S4-F7 PolarHBondContact O-N 3.27Å; G5-F7 VanDerWaalsContact C-N 3.25Å; G5-F7 PolarHBondContact O-N 3.16Å; F7-M11 WeakPolarHBondContact O-CB 3.41Å; F7-M11 VanDerWaalsContact O-CG 3.31Å; F7-M11 WeakPolarHBondContact O-CG 3.42Å; F7-M11 PolarHBondContact O-N 3.17Å; F7-M11 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 51.3 | Low | 46.4 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 60% | 0.597 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.9 | -38.9 | 173.4 | -94.2 | 150.6 | 0 | 0 | 0 | 111.3 | G5 M11 C12 | G5-L8 PolarHBondContact O-N 2.82Å; L8-M11 PolarHBondContact O-N 2.97Å; L8-C12 PolarHBondContact O-N 3.08Å |
| 9 | L | 51.8 | Low | 46.5 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.7 | -41.5 | 176.2 | -125.7 | 117.7 | 0 | 0 | 0 | 111.8 | G5 T6 M11 C12 V13 | G5-L9 PolarHBondContact O-N 3.31Å; G5-L9 VanDerWaalsContact O-N 3.15Å; T6-L9 PolarHBondContact O-N 3.32Å; L9-M11 PolarHBondContact O-N 2.79Å; L9-C12 PolarHBondContact O-N 3.12Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3.49Å |
| 10 | Q | 51 | Low | 46.5 | Very low | 133 Ų | 133 | 114 Ų | 114 | 62% | 0.621 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.7 | -31.1 | 179.5 | -155.3 | 157.4 | -5.7 | 0 | 0 | 112.5 | T6 T14 | T6-Q10 WeakPolarHBondContact O-CB 3.37Å; T6-Q10 PolarHBondContact O-N 3.47Å; Q10-T14 WeakPolarHBondContact O-CG2 3.31Å; Q10-T14 PolarHBondContact O-N 3.44Å; Q10-T14 PolarHBondContact O-OG1 3.01Å |
| 11 | M | 51.5 | Low | 46.3 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 53% | 0.532 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.3 | -36.6 | 170.3 | -76.4 | -67.2 | -62.5 | 0 | 0 | 112.7 | F7 L8 L9 T14 L15 | F7-M11 WeakPolarHBondContact O-CB 3.41Å; F7-M11 VanDerWaalsContact O-CG 3.31Å; F7-M11 WeakPolarHBondContact O-CG 3.42Å; F7-M11 PolarHBondContact O-N 3.17Å; F7-M11 VanDerWaalsContact O-N 3.13Å; L8-M11 PolarHBondContact O-N 2.97Å; L9-M11 PolarHBondContact O-N 2.79Å; M11-T14 WeakPolarHBondContact CA-OG1 3.47Å; M11-T14 PolarHBondContact O-OG1 3.34Å; M11-T14 VanDerWaalsContact O-OG1 3.08Å; M11-L15 WeakPolarHBondContact O-CB 3.42Å; M11-L15 PolarHBondContact O-N 2.89Å; M11-L15 VanDerWaalsContact O-N 3.12Å |
| 12 | C | 51.9 | Low | 46.5 | Very low | 81 Ų | 81 | 107.8 Ų | 107.8 | 55% | 0.547 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.3 | -41.9 | 175.1 | -82.3 | 0 | 0 | 0 | 0 | 112.4 | L8 L9 T14 L15 V16 | L8-C12 PolarHBondContact O-N 3.08Å; L9-C12 PolarHBondContact O-N 3.12Å; C12-T14 VanDerWaalsContact C-N 3.34Å; C12-T14 PolarHBondContact O-N 3.13Å; C12-L15 PolarHBondContact O-N 3.48Å; C12-V16 WeakPolarHBondContact O-CG2 3.31Å; C12-V16 PolarHBondContact O-N 2.85Å; C12-V16 VanDerWaalsContact O-N 3.16Å |
| 13 | V | 53.3 | Low | 47.2 | Very low | 86 Ų | 86 | 104.1 Ų | 104.1 | 52% | 0.521 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.7 | -36.1 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | L9 V17 | L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3.49Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.02Å |
| 14 | T | 52 | Low | 47 | Very low | 73 Ų | 73 | 103.8 Ų | 103.8 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.6 | -29.2 | 176 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | Q10 M11 C12 S18 | Q10-T14 WeakPolarHBondContact O-CG2 3.31Å; Q10-T14 PolarHBondContact O-N 3.44Å; Q10-T14 PolarHBondContact O-OG1 3.01Å; M11-T14 WeakPolarHBondContact CA-OG1 3.47Å; M11-T14 PolarHBondContact O-OG1 3.34Å; M11-T14 VanDerWaalsContact O-OG1 3.08Å; C12-T14 VanDerWaalsContact C-N 3.34Å; C12-T14 PolarHBondContact O-N 3.13Å; T14-S18 PolarHBondContact O-N 3.46Å; T14-S18 PolarHBondContact O-OG 2.8Å |
| 15 | L | 46.1 | Very low | 46.9 | Very low | 106 Ų | 106 | 110.4 Ų | 110.4 | 56% | 0.555 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.8 | -38.5 | 174.1 | -126.6 | 117.1 | 0 | 0 | 0 | 112.2 | M11 C12 S18 I19 | M11-L15 WeakPolarHBondContact O-CB 3.42Å; M11-L15 PolarHBondContact O-N 2.89Å; M11-L15 VanDerWaalsContact O-N 3.12Å; C12-L15 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-N 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å |
| 16 | V | 51 | Low | 47.1 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 65% | 0.648 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.5 | -36.3 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | C12 S18 | C12-V16 WeakPolarHBondContact O-CG2 3.31Å; C12-V16 PolarHBondContact O-N 2.85Å; C12-V16 VanDerWaalsContact O-N 3.16Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.49Å |
| 17 | V | 48 | Very low | 46.2 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.8 | -27.1 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | V13 | V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.49Å; V13-V17 PolarHBondContact O-N 3.02Å |
| 18 | S | 41.9 | Very low | 46 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.4 | -19.6 | -178.2 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | T14 L15 V16 A20 | T14-S18 PolarHBondContact O-N 3.46Å; T14-S18 PolarHBondContact O-OG 2.8Å; L15-S18 PolarHBondContact O-N 3.28Å; V16-S18 VanDerWaalsContact C-N 3.3Å; V16-S18 PolarHBondContact O-N 3.49Å; S18-A20 VanDerWaalsContact C-N 3.35Å |
| 19 | I | 48.2 | Very low | 45.2 | Very low | 135 Ų | 135 | 116.4 Ų | 116.4 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -83.5 | -15.6 | 178.2 | -54.9 | 163.9 | 0 | 0 | 0 | 111.2 | L15 S21 | L15-I19 WeakPolarHBondContact O-CG1 3.32Å; I19-S21 PolarHBondContact O-N 3.26Å |
| 20 | A | 47.3 | Very low | 44.6 | Very low | 85 Ų | 85 | 118 Ų | 118 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -0.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S18 | S18-A20 VanDerWaalsContact C-N 3.35Š|
| 21 | S | 42.2 | Very low | 44 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | trans | -107 | 41 | -176.8 | -62 | 0 | 0 | 0 | 0 | 113.9 | I19 | I19-S21 PolarHBondContact O-N 3.26Š| ||
| 22 | C | 36.5 | Very low | 43.6 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | trans | -119.3 | 107.5 | 165 | -81.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | T | 47.2 | Very low | 43.3 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 85% | 0.847 | 70% | 0.697 | S | S | * | * | trans | -66.7 | 125.2 | -179.4 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 24 | C | 32.8 | Very low | 43.1 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 90% | 0.899 | 71% | 0.705 | S | S | * | * | trans | -151.8 | 142.7 | 146.1 | -91.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 25 | K | 37.6 | Very low | 43.1 | Very low | 207 Ų | 207 | 121.3 Ų | 121.3 | 90% | 0.9 | 71% | 0.708 | S | S | * | * | trans | -74.8 | 171 | -167.8 | -100.1 | -179.9 | 179.1 | 171.2 | 0 | 114.5 | ||||
| 26 | P | 49.6 | Very low | 43.3 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 75% | 0.747 | 71% | 0.714 | S | S | * | * | trans | -94.9 | 150.2 | -139.2 | 37.3 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 27 | L | 31.9 | Very low | 43.4 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 90% | 0.901 | 71% | 0.711 | S | S | * | * | trans | -142.3 | 110.1 | 158.1 | -100 | 155.4 | 0 | 0 | 0 | 108.1 | ||||
| 28 | S | 42.6 | Very low | 43.8 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | 19.6 | 102.2 | 149.3 | 174.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 29 | N | 33.9 | Very low | 44.3 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 71% | 0.707 | S | S | * | * | -171.7 | 117.9 | 125.1 | -103.9 | -1.9 | 0 | 0 | 0 | 111.1 | S31 | N29-S31 PolarHBondContact O-N 3.15Å; N29-S31 VanDerWaalsContact O-N 3.08Å | |||
| 30 | N | 39.6 | Very low | 44.5 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 39.8 | -179.7 | -150.5 | 45.2 | 0 | 0 | 0 | 112 | ||
| 31 | S | 38.6 | Very low | 45 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 44% | 0.441 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.8 | 0.5 | -171.5 | 70.5 | 0 | 0 | 0 | 0 | 115.3 | N29 | N29-S31 PolarHBondContact O-N 3.15Å; N29-S31 VanDerWaalsContact O-N 3.08Å |
| 32 | Q | 43.7 | Very low | 45.6 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -102.5 | -17.3 | 177.4 | -78.3 | -175.5 | -20 | 0 | 0 | 113.9 | ||
| 33 | S | 46.1 | Very low | 46.3 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.5 | -34.5 | 178.5 | -170.7 | 0 | 0 | 0 | 0 | 112.1 | E37 | S33-E37 PolarHBondContact O-N 3.33Å |
| 34 | E | 47.6 | Very low | 46.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.6 | -36.2 | 179.9 | -66.8 | -174.2 | 158.3 | 0 | 0 | 111.6 | E37 R38 | E34-E37 PolarHBondContact O-N 3.09Å; E34-R38 WeakPolarHBondContact O-CB 3.43Å; E34-R38 PolarHBondContact O-N 3Å |
| 35 | D | 53.5 | Low | 47.7 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.5 | -34.2 | 178.4 | -81.3 | -22.9 | 0 | 0 | 0 | 113 | L39 | D35-L39 WeakPolarHBondContact O-CB 3.39Å; D35-L39 WeakPolarHBondContact O-CG 2.9Å; D35-L39 PolarHBondContact O-N 3.32Å |
| 36 | L | 49.1 | Very low | 48.3 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 67% | 0.67 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.7 | -36 | 177.7 | -170.6 | 67.2 | 0 | 0 | 0 | 112.3 | R40 | L36-R40 WeakPolarHBondContact O-CB 3.42Å; L36-R40 PolarHBondContact O-N 2.93Å; L36-R40 VanDerWaalsContact O-N 3.11Å |
| 37 | E | 53.9 | Low | 48.5 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.7 | -35.9 | 170.4 | -82.3 | -149.2 | 155.8 | 0 | 0 | 112 | S33 E34 R40 L41 | S33-E37 PolarHBondContact O-N 3.33Å; E34-E37 PolarHBondContact O-N 3.09Å; E37-R40 PolarHBondContact O-N 2.88Å; E37-L41 WeakPolarHBondContact O-CB 3.3Å; E37-L41 WeakPolarHBondContact O-CG 3.31Å; E37-L41 PolarHBondContact O-N 3.31Å |
| 38 | R | 55.3 | Low | 49.5 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -44.9 | 177.2 | -161 | 177.5 | -166.7 | 161.9 | 5.3 | 112.3 | E34 R40 L41 E42 | E34-R38 WeakPolarHBondContact O-CB 3.43Å; E34-R38 PolarHBondContact O-N 3Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 2.74Å; R38-L41 PolarHBondContact O-N 2.9Å; R38-E42 WeakPolarHBondContact O-CB 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.44Å; R38-E42 PolarHBondContact O-N 2.91Å |
| 39 | L | 54.1 | Low | 50 | Low | 98 Ų | 98 | 118 Ų | 118 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64 | -34.2 | 173.2 | -78.5 | 164.7 | 0 | 0 | 0 | 112.5 | D35 L43 | D35-L39 WeakPolarHBondContact O-CB 3.39Å; D35-L39 WeakPolarHBondContact O-CG 2.9Å; D35-L39 PolarHBondContact O-N 3.32Å; L39-L43 WeakPolarHBondContact O-CB 3.13Å; L39-L43 PolarHBondContact O-N 2.67Å |
| 40 | R | 52.3 | Low | 51 | Low | 173 Ų | 173 | 118.1 Ų | 118.1 | 65% | 0.653 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.4 | -37.8 | 174.7 | -178.6 | 179.9 | 171.5 | 164.7 | -1.9 | 112 | L36 E37 R38 Y44 | L36-R40 WeakPolarHBondContact O-CB 3.42Å; L36-R40 PolarHBondContact O-N 2.93Å; L36-R40 VanDerWaalsContact O-N 3.11Å; E37-R40 PolarHBondContact O-N 2.88Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 2.74Å; R40-Y44 WeakPolarHBondContact O-CB 3.37Å; R40-Y44 PolarHBondContact O-N 2.92Å |
| 41 | L | 56.8 | Low | 51.8 | Low | 110 Ų | 110 | 116 Ų | 116 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.5 | -43.6 | 174.6 | -78.6 | 163.1 | 0 | 0 | 0 | 110.8 | E37 R38 L43 Y44 E45 | E37-L41 WeakPolarHBondContact O-CB 3.3Å; E37-L41 WeakPolarHBondContact O-CG 3.31Å; E37-L41 PolarHBondContact O-N 3.31Å; R38-L41 PolarHBondContact O-N 2.9Å; L41-L43 PolarHBondContact O-N 2.94Å; L41-Y44 CarbonylContact O-C 3.6Å; L41-Y44 WeakPolarHBondContact O-CA 3.43Å; L41-Y44 WeakPolarHBondContact O-CB 3.14Å; L41-Y44 PolarHBondContact O-N 2.89Å; L41-E45 WeakPolarHBondContact O-CB 3.3Å; L41-E45 PolarHBondContact O-N 3.08Å |
| 42 | E | 54.1 | Low | 52.6 | Low | 95 Ų | 95 | 118 Ų | 118 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.2 | -41.9 | 173.5 | -76.4 | 173.1 | -177.9 | 0 | 0 | 111.7 | R38 Y44 E45 D46 | R38-E42 WeakPolarHBondContact O-CB 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.44Å; R38-E42 PolarHBondContact O-N 2.91Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.26Å; E42-E45 PolarHBondContact O-N 3.45Å; E42-D46 WeakPolarHBondContact O-CB 3.43Å; E42-D46 PolarHBondContact O-N 3.47Å |
| 43 | L | 51.6 | Low | 53.3 | Low | 115 Ų | 115 | 115.4 Ų | 115.4 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.4 | -30.3 | 172.8 | -96.1 | 149.7 | 0 | 0 | 0 | 113.3 | L39 L41 V47 | L39-L43 WeakPolarHBondContact O-CB 3.13Å; L39-L43 PolarHBondContact O-N 2.67Å; L41-L43 PolarHBondContact O-N 2.94Å; L43-V47 WeakPolarHBondContact O-CB 3.15Å; L43-V47 WeakPolarHBondContact O-CG2 3.09Å; L43-V47 PolarHBondContact O-N 3.25Å |
| 44 | Y | 56.8 | Low | 54.1 | Low | 148 Ų | 148 | 117.7 Ų | 117.7 | 58% | 0.58 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.7 | -38.2 | 174.6 | -121.9 | -91.6 | 0 | 0 | 0 | 111.1 | R40 L41 E42 V47 L48 | R40-Y44 WeakPolarHBondContact O-CB 3.37Å; R40-Y44 PolarHBondContact O-N 2.92Å; L41-Y44 CarbonylContact O-C 3.6Å; L41-Y44 WeakPolarHBondContact O-CA 3.43Å; L41-Y44 WeakPolarHBondContact O-CB 3.14Å; L41-Y44 PolarHBondContact O-N 2.89Å; E42-Y44 VanDerWaalsContact C-N 3.31Å; E42-Y44 PolarHBondContact O-N 3.26Å; Y44-V47 PolarHBondContact O-N 2.89Å; Y44-L48 HydrophobicContact CD1-CD1 4.32Å; Y44-L48 WeakPolarHBondContact O-CB 3.35Å; Y44-L48 WeakPolarHBondContact O-CG 3.22Å; Y44-L48 PolarHBondContact O-N 3.09Å |
| 45 | E | 52.6 | Low | 54.8 | Low | 127 Ų | 127 | 113 Ų | 113 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 177.1 | -136.4 | 165.7 | -172.5 | 0 | 0 | 110.8 | L41 E42 V47 L48 E49 | L41-E45 WeakPolarHBondContact O-CB 3.3Å; L41-E45 PolarHBondContact O-N 3.08Å; E42-E45 PolarHBondContact O-N 3.45Å; E45-V47 PolarHBondContact O-N 3.44Å; E45-L48 PolarHBondContact O-N 3.36Å; E45-E49 WeakPolarHBondContact O-CB 3.41Å; E45-E49 WeakPolarHBondContact O-CG 3.21Å; E45-E49 PolarHBondContact O-N 2.98Å |
| 46 | D | 50.3 | Low | 55.5 | Low | 101 Ų | 101 | 115 Ų | 115 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 173.1 | -91.1 | -7.3 | 0 | 0 | 0 | 112.2 | E42 E49 E50 | E42-D46 WeakPolarHBondContact O-CB 3.43Å; E42-D46 PolarHBondContact O-N 3.47Å; D46-E49 PolarHBondContact O-N 2.83Å; D46-E50 WeakPolarHBondContact O-CB 3.25Å; D46-E50 WeakPolarHBondContact O-CG 3.47Å; D46-E50 PolarHBondContact O-N 2.86Å |
| 47 | V | 54.1 | Low | 56.3 | Low | 75 Ų | 75 | 114.1 Ų | 114.1 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L43 Y44 E45 E50 E51 | L43-V47 WeakPolarHBondContact O-CB 3.15Å; L43-V47 WeakPolarHBondContact O-CG2 3.09Å; L43-V47 PolarHBondContact O-N 3.25Å; Y44-V47 PolarHBondContact O-N 2.89Å; E45-V47 PolarHBondContact O-N 3.44Å; V47-E50 PolarHBondContact O-N 2.8Å; V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.13Å |
| 48 | L | 52.8 | Low | 57.1 | Low | 86 Ų | 86 | 114.3 Ų | 114.3 | 45% | 0.45 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 174.6 | -71.2 | 170.5 | 0 | 0 | 0 | 111.7 | Y44 E45 E51 D52 | Y44-L48 HydrophobicContact CD1-CD1 4.32Å; Y44-L48 WeakPolarHBondContact O-CB 3.35Å; Y44-L48 WeakPolarHBondContact O-CG 3.22Å; Y44-L48 PolarHBondContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.36Å; L48-E51 PolarHBondContact O-N 3.01Å; L48-D52 VanDerWaalsContact O-CB 3.27Å; L48-D52 WeakPolarHBondContact O-CB 3.49Å; L48-D52 PolarHBondContact O-N 3.5Å |
| 49 | E | 53.6 | Low | 57.7 | Low | 95 Ų | 95 | 112.3 Ų | 112.3 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -35.3 | 172.5 | -81.6 | -161.1 | -173.5 | 0 | 0 | 112.7 | E45 D46 K53 | E45-E49 WeakPolarHBondContact O-CB 3.41Å; E45-E49 WeakPolarHBondContact O-CG 3.21Å; E45-E49 PolarHBondContact O-N 2.98Å; D46-E49 PolarHBondContact O-N 2.83Å; E49-K53 WeakPolarHBondContact O-CB 3.49Å; E49-K53 VanDerWaalsContact O-CD 3.29Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.48Å; E49-K53 PolarHBondContact O-N 2.66Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 3.18Å; E49-K53 VanDerWaalsContact OE2-NZ 3.11Å |
| 50 | E | 55.4 | Low | 58.5 | Low | 133 Ų | 133 | 112.9 Ų | 112.9 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.3 | -41.9 | 174.2 | -70 | -90.1 | 132.7 | 0 | 0 | 111.1 | D46 V47 K53 E54 | D46-E50 WeakPolarHBondContact O-CB 3.25Å; D46-E50 WeakPolarHBondContact O-CG 3.47Å; D46-E50 PolarHBondContact O-N 2.86Å; V47-E50 PolarHBondContact O-N 2.8Å; E50-K53 PolarHBondContact O-N 2.87Å; E50-E54 WeakPolarHBondContact O-CB 3.44Å; E50-E54 PolarHBondContact O-N 3.34Å |
| 51 | E | 54.8 | Low | 59.3 | Low | 112 Ų | 112 | 108 Ų | 108 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 173.6 | -74.9 | -178.1 | 170.2 | 0 | 0 | 112.3 | V47 L48 E54 S55 | V47-E51 WeakPolarHBondContact O-CG 3.42Å; V47-E51 PolarHBondContact O-N 3.13Å; L48-E51 PolarHBondContact O-N 3.01Å; E51-E54 PolarHBondContact O-N 2.87Å; E51-S55 WeakPolarHBondContact O-CB 3.48Å; E51-S55 PolarHBondContact O-N 3.18Å; E51-S55 PolarHBondContact O-OG 3.14Å |
| 52 | D | 56.2 | Low | 59.9 | Low | 103 Ų | 103 | 107.1 Ų | 107.1 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.9 | -34.3 | 174 | -89.9 | -9 | 0 | 0 | 0 | 111.8 | L48 S55 Q56 | L48-D52 VanDerWaalsContact O-CB 3.27Å; L48-D52 WeakPolarHBondContact O-CB 3.49Å; L48-D52 PolarHBondContact O-N 3.5Å; D52-S55 WeakPolarHBondContact CA-OG 3.34Å; D52-S55 PolarHBondContact O-OG 3.04Å; D52-S55 VanDerWaalsContact O-OG 3.09Å; D52-Q56 VanDerWaalsContact O-CB 3.29Å; D52-Q56 WeakPolarHBondContact O-CB 3.38Å; D52-Q56 VanDerWaalsContact O-CG 3.31Å; D52-Q56 WeakPolarHBondContact O-CG 3.28Å; D52-Q56 PolarHBondContact O-N 3.3Å |
| 53 | K | 59 | Low | 60.5 | Low | 106 Ų | 106 | 105.7 Ų | 105.7 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.4 | -37.4 | 173.4 | -75.4 | 164.2 | -163.6 | 148.6 | 0 | 111.7 | E49 E50 M57 | E49-K53 WeakPolarHBondContact O-CB 3.49Å; E49-K53 VanDerWaalsContact O-CD 3.29Å; E49-K53 WeakPolarHBondContact O-CD 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.48Å; E49-K53 PolarHBondContact O-N 2.66Å; E49-K53 IonicContact OE2-NZ 2.74Å; E49-K53 PolarHBondContact OE2-NZ 3.18Å; E49-K53 VanDerWaalsContact OE2-NZ 3.11Å; E50-K53 PolarHBondContact O-N 2.87Å; K53-M57 VanDerWaalsContact O-CB 3.32Å; K53-M57 WeakPolarHBondContact O-CB 3.13Å; K53-M57 PolarHBondContact O-N 2.95Å |
| 54 | E | 61.7 | Low | 61.2 | Low | 136 Ų | 136 | 105.1 Ų | 105.1 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -43.7 | 178 | -165.3 | 166.6 | -162.2 | 0 | 0 | 111.2 | E50 E51 M57 E58 | E50-E54 WeakPolarHBondContact O-CB 3.44Å; E50-E54 PolarHBondContact O-N 3.34Å; E51-E54 PolarHBondContact O-N 2.87Å; E54-M57 WeakPolarHBondContact O-CB 3.06Å; E54-M57 PolarHBondContact O-N 3.15Å; E54-E58 PolarHBondContact O-N 3.49Å |
| 55 | S | 62.5 | Low | 61.7 | Low | 48 Ų | 48 | 100.3 Ų | 100.3 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | E51 D52 M57 E58 D59 | E51-S55 WeakPolarHBondContact O-CB 3.48Å; E51-S55 PolarHBondContact O-N 3.18Å; E51-S55 PolarHBondContact O-OG 3.14Å; D52-S55 WeakPolarHBondContact CA-OG 3.34Å; D52-S55 PolarHBondContact O-OG 3.04Å; D52-S55 VanDerWaalsContact O-OG 3.09Å; S55-M57 VanDerWaalsContact C-N 3.29Å; S55-M57 PolarHBondContact O-N 2.96Å; S55-E58 PolarHBondContact O-N 3.06Å; S55-D59 PolarHBondContact O-N 3.04Å |
| 56 | Q | 68.6 | Low | 62.5 | Low | 137 Ų | 137 | 99.1 Ų | 99.1 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -35.6 | 171.6 | -83 | -175.5 | 10.7 | 0 | 0 | 112.7 | D52 F60 | D52-Q56 VanDerWaalsContact O-CB 3.29Å; D52-Q56 WeakPolarHBondContact O-CB 3.38Å; D52-Q56 VanDerWaalsContact O-CG 3.31Å; D52-Q56 WeakPolarHBondContact O-CG 3.28Å; D52-Q56 PolarHBondContact O-N 3.3Å; Q56-F60 WeakPolarHBondContact O-CB 3.36Å; Q56-F60 PolarHBondContact O-N 2.8Å |
| 57 | M | 66.1 | Low | 63.2 | Low | 110 Ų | 110 | 96 Ų | 96 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 175.3 | -170.8 | 69.3 | 64.6 | 0 | 0 | 110.8 | K53 E54 S55 F60 L61 | K53-M57 VanDerWaalsContact O-CB 3.32Å; K53-M57 WeakPolarHBondContact O-CB 3.13Å; K53-M57 PolarHBondContact O-N 2.95Å; E54-M57 WeakPolarHBondContact O-CB 3.06Å; E54-M57 PolarHBondContact O-N 3.15Å; S55-M57 VanDerWaalsContact C-N 3.29Å; S55-M57 PolarHBondContact O-N 2.96Å; M57-F60 PolarHBondContact O-N 2.75Å; M57-L61 HydrophobicContact CG-CD1 4.06Å; M57-L61 HydrophobicContact CG-CG 4.41Å; M57-L61 WeakPolarHBondContact O-CB 3.2Å; M57-L61 WeakPolarHBondContact O-CG 3.45Å; M57-L61 PolarHBondContact O-N 3.49Å |
| 58 | E | 70.4 | Confident | 63.8 | Low | 132 Ų | 132 | 93 Ų | 93 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 175.1 | -79.6 | -171.1 | 147 | 0 | 0 | 111.8 | E54 S55 F60 L61 E62 | E54-E58 PolarHBondContact O-N 3.49Å; S55-E58 PolarHBondContact O-N 3.06Å; E58-F60 VanDerWaalsContact C-N 3.31Å; E58-F60 PolarHBondContact O-N 3.21Å; E58-L61 PolarHBondContact O-N 2.98Å; E58-E62 WeakPolarHBondContact O-CB 3.38Å; E58-E62 PolarHBondContact O-N 2.91Å |
| 59 | D | 68 | Low | 64.7 | Low | 118 Ų | 118 | 89.2 Ų | 89.2 | 63% | 0.631 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 176.8 | -77.4 | -16 | 0 | 0 | 0 | 111.9 | S55 E62 S63 | S55-D59 PolarHBondContact O-N 3.04Å; D59-E62 PolarHBondContact O-N 3.21Å; D59-S63 PolarHBondContact O-N 3.05Å |
| 60 | F | 69.9 | Low | 65.6 | Low | 110 Ų | 110 | 93.6 Ų | 93.6 | 48% | 0.482 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 176.6 | -178.3 | -103.4 | 0 | 0 | 0 | 112 | Q56 M57 E58 E62 S63 M64 | Q56-F60 WeakPolarHBondContact O-CB 3.36Å; Q56-F60 PolarHBondContact O-N 2.8Å; M57-F60 PolarHBondContact O-N 2.75Å; E58-F60 VanDerWaalsContact C-N 3.31Å; E58-F60 PolarHBondContact O-N 3.21Å; F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 3.5Å; F60-S63 PolarHBondContact O-N 3.11Å; F60-S63 PolarHBondContact O-OG 2.99Å; F60-M64 HydrophobicContact CD1-CG 4.45Å; F60-M64 HydrophobicContact CD1-SD 4.18Å; F60-M64 HydrophobicContact CE1-CE 3.75Å; F60-M64 HydrophobicContact CE1-CG 4.04Å; F60-M64 HydrophobicContact CE1-SD 3.46Å; F60-M64 WeakPolarHBondContact CE1-SD 3.39Å; F60-M64 HydrophobicContact CZ-CE 3.6Å; F60-M64 HydrophobicContact CZ-CG 4.18Å; F60-M64 HydrophobicContact CZ-SD 3.88Å; F60-M64 PolarHBondContact O-N 2.87Å |
| 61 | L | 69.3 | Low | 65.9 | Low | 71 Ų | 71 | 90.9 Ų | 90.9 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 176.1 | -72.9 | 173.4 | 0 | 0 | 0 | 111.6 | M57 E58 M64 K65 I327 | M57-L61 HydrophobicContact CG-CD1 4.06Å; M57-L61 HydrophobicContact CG-CG 4.41Å; M57-L61 WeakPolarHBondContact O-CB 3.2Å; M57-L61 WeakPolarHBondContact O-CG 3.45Å; M57-L61 PolarHBondContact O-N 3.49Å; E58-L61 PolarHBondContact O-N 2.98Å; L61-M64 PolarHBondContact O-N 2.82Å; L61-K65 WeakPolarHBondContact O-CB 3.11Å; L61-K65 PolarHBondContact O-N 2.75Å; L61-I327 HydrophobicContact CD2-CG2 4.46Å |
| 62 | E | 70.8 | Confident | 66.4 | Low | 92 Ų | 92 | 85.7 Ų | 85.7 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 174.4 | -162.7 | 68.8 | -156.8 | 0 | 0 | 110.7 | E58 D59 F60 K65 E66 | E58-E62 WeakPolarHBondContact O-CB 3.38Å; E58-E62 PolarHBondContact O-N 2.91Å; D59-E62 PolarHBondContact O-N 3.21Å; F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 3.5Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.29Å; E62-K65 IonicContact OE1-NZ 2.71Å; E62-K65 PolarHBondContact OE1-NZ 3.25Å; E62-K65 IonicContact OE2-NZ 2.88Å; E62-K65 PolarHBondContact OE2-NZ 3.01Å; E62-E66 PolarHBondContact O-N 3.3Å |
| 63 | S | 66.3 | Low | 66.7 | Low | 65 Ų | 65 | 85.7 Ų | 85.7 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 174.4 | 91.2 | 0 | 0 | 0 | 0 | 113.1 | D59 F60 E66 G67 | D59-S63 PolarHBondContact O-N 3.05Å; F60-S63 PolarHBondContact O-N 3.11Å; F60-S63 PolarHBondContact O-OG 2.99Å; S63-E66 PolarHBondContact O-N 3.45Å; S63-G67 PolarHBondContact O-N 3.43Å |
| 64 | M | 65.2 | Low | 67 | Low | 102 Ų | 102 | 81.3 Ų | 81.3 | 50% | 0.502 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 175.4 | -80.6 | -164.6 | 143.9 | 0 | 0 | 111.2 | F60 L61 G67 F68 | F60-M64 HydrophobicContact CD1-CG 4.45Å; F60-M64 HydrophobicContact CD1-SD 4.18Å; F60-M64 HydrophobicContact CE1-CE 3.75Å; F60-M64 HydrophobicContact CE1-CG 4.04Å; F60-M64 HydrophobicContact CE1-SD 3.46Å; F60-M64 WeakPolarHBondContact CE1-SD 3.39Å; F60-M64 HydrophobicContact CZ-CE 3.6Å; F60-M64 HydrophobicContact CZ-CG 4.18Å; F60-M64 HydrophobicContact CZ-SD 3.88Å; F60-M64 PolarHBondContact O-N 2.87Å; L61-M64 PolarHBondContact O-N 2.82Å; M64-G67 PolarHBondContact O-N 3.18Å; M64-F68 WeakPolarHBondContact O-CB 3.47Å; M64-F68 PolarHBondContact O-N 2.83Å |
| 65 | K | 67.9 | Low | 66.9 | Low | 48 Ų | 48 | 81.1 Ų | 81.1 | 21% | 0.209 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 171.9 | 174.8 | -170.5 | 173.2 | -158.3 | 0 | 111 | L61 E62 G67 F68 L69 V77 W329 | L61-K65 WeakPolarHBondContact O-CB 3.11Å; L61-K65 PolarHBondContact O-N 2.75Å; E62-K65 WeakPolarHBondContact O-CB 3.35Å; E62-K65 PolarHBondContact O-N 3.29Å; E62-K65 IonicContact OE1-NZ 2.71Å; E62-K65 PolarHBondContact OE1-NZ 3.25Å; E62-K65 IonicContact OE2-NZ 2.88Å; E62-K65 PolarHBondContact OE2-NZ 3.01Å; K65-G67 PolarHBondContact O-N 2.82Å; K65-F68 PolarHBondContact O-N 2.8Å; K65-L69 HydrophobicContact CG-CD1 4.24Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.37Å; K65-V77 HydrophobicContact CD-CG2 4.09Å; K65-V77 HydrophobicContact CG-CG2 3.91Å; K65-W329 VanDerWaalsContact CA-CZ2 3.5Å; K65-W329 HydrophobicContact CB-CZ2 3.79Å; K65-W329 HydrophobicContact CG-CZ2 4.36Å |
| 66 | E | 70 | Confident | 67.1 | Low | 102 Ų | 102 | 81.6 Ų | 81.6 | 48% | 0.477 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 172.8 | -74.4 | -170.3 | -179.5 | 0 | 0 | 112.9 | E62 S63 F68 L69 R70 | E62-E66 PolarHBondContact O-N 3.3Å; S63-E66 PolarHBondContact O-N 3.45Å; E66-F68 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.06Å; E66-L69 PolarHBondContact O-N 3.23Å; E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.9Å |
| 67 | G | 63.9 | Low | 66.9 | Low | 34 Ų | 34 | 76.6 Ų | 76.6 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S63 M64 K65 R70 Q71 | S63-G67 PolarHBondContact O-N 3.43Å; M64-G67 PolarHBondContact O-N 3.18Å; K65-G67 PolarHBondContact O-N 2.82Å; G67-R70 PolarHBondContact O-N 2.86Å; G67-Q71 PolarHBondContact O-N 2.83Å |
| 68 | F | 66.8 | Low | 66.7 | Low | 12 Ų | 12 | 72.3 Ų | 72.3 | 5% | 0.053 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -45.8 | 176.4 | -172.2 | -76.4 | 0 | 0 | 0 | 112 | M64 K65 E66 R70 Q71 L72 W329 W332 I333 Y405 M408 | M64-F68 WeakPolarHBondContact O-CB 3.47Å; M64-F68 PolarHBondContact O-N 2.83Å; K65-F68 PolarHBondContact O-N 2.8Å; E66-F68 VanDerWaalsContact C-N 3.34Å; E66-F68 PolarHBondContact O-N 3.06Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.83Å; F68-Q71 PolarHBondContact O-N 2.99Å; F68-Q71 VanDerWaalsContact O-N 3.16Å; F68-L72 HydrophobicContact CD1-CD1 4.11Å; F68-L72 HydrophobicContact CD1-CG 4.27Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CG 3.69Å; F68-L72 HydrophobicContact CZ-CD1 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.48Å; F68-L72 PolarHBondContact O-N 2.91Å; F68-W329 HydrophobicContact CB-CH2 3.45Å; F68-W329 VanDerWaalsContact CB-CH2 3.45Å; F68-W329 HydrophobicContact CB-CZ2 4.19Å; F68-W329 HydrophobicContact CB-CZ3 3.95Å; F68-W329 HydrophobicContact CD1-CE3 4.41Å; F68-W329 HydrophobicContact CD1-CH2 4.23Å; F68-W329 AromaticContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD2-CE3 4.18Å; F68-W329 AromaticContact CD2-CH2 3.5Å; F68-W329 HydrophobicContact CD2-CH2 3.5Å; F68-W329 AromaticContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CE1-CZ3 4.3Å; F68-W329 HydrophobicContact CE2-CE3 4.16Å; F68-W329 HydrophobicContact CE2-CH2 4.27Å; F68-W329 AromaticContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CE2-CZ3 3.44Å; F68-W329 VanDerWaalsContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CG-CE3 4.26Å; F68-W329 AromaticContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CH2 3.44Å; F68-W329 VanDerWaalsContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CZ2 4.41Å; F68-W329 AromaticContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CZ-CE3 4.4Å; F68-W329 HydrophobicContact CZ-CZ3 4.05Å; F68-W332 AromaticContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CZ2 4.09Å; F68-W332 HydrophobicContact CD1-CZ3 4.41Å; F68-W332 AromaticContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CZ2 4.01Å; F68-W332 AromaticContact CE1-CZ3 3.7Å; F68-W332 HydrophobicContact CE1-CZ3 3.7Å; F68-W332 AromaticContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CZ3 4.41Å; F68-I333 HydrophobicContact CZ-CD1 4.31Å; F68-Y405 WeakPolarHBondContact CD1-OH 3.44Å; F68-Y405 AromaticContact CD2-CE1 3.77Å; F68-Y405 HydrophobicContact CD2-CE1 3.77Å; F68-Y405 AromaticContact CD2-CZ 3.9Å; F68-Y405 WeakPolarHBondContact CD2-OH 3.46Å; F68-Y405 HydrophobicContact CE1-CE1 4.1Å; F68-Y405 AromaticContact CE1-CZ 3.8Å; F68-Y405 VanDerWaalsContact CE1-OH 3.29Å; F68-Y405 WeakPolarHBondContact CE1-OH 3.42Å; F68-Y405 HydrophobicContact CE2-CD1 4.12Å; F68-Y405 AromaticContact CE2-CE1 3.12Å; F68-Y405 HydrophobicContact CE2-CE1 3.12Å; F68-Y405 AromaticContact CE2-CZ 3.58Å; F68-Y405 VanDerWaalsContact CE2-OH 3.28Å; F68-Y405 WeakPolarHBondContact CE2-OH 3.44Å; F68-Y405 VanDerWaalsContact CG-OH 3.23Å; F68-Y405 WeakPolarHBondContact CG-OH 3.49Å; F68-Y405 HydrophobicContact CZ-CD1 4.13Å; F68-Y405 AromaticContact CZ-CE1 3.3Å; F68-Y405 HydrophobicContact CZ-CE1 3.3Å; F68-Y405 AromaticContact CZ-CZ 3.49Å; F68-Y405 VanDerWaalsContact CZ-CZ 3.49Å; F68-Y405 WeakPolarHBondContact CZ-OH 3.27Å; F68-Y405 PolarHBondContact O-OH 2.88Å; F68-M408 HydrophobicContact CE2-CE 3.93Å; F68-M408 HydrophobicContact CE2-SD 4.07Å |
| 69 | L | 73.3 | Confident | 65.8 | Low | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176 | -71.8 | 170.6 | 0 | 0 | 0 | 111 | K65 E66 Q71 L72 N73 L74 V77 | K65-L69 HydrophobicContact CG-CD1 4.24Å; K65-L69 WeakPolarHBondContact O-CB 3.24Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.37Å; E66-L69 PolarHBondContact O-N 3.23Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 3.24Å; L69-L72 CarbonylContact O-C 3.56Å; L69-L72 WeakPolarHBondContact O-CA 3.4Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-L72 VanDerWaalsContact O-N 3.07Å; L69-N73 PolarHBondContact O-N 2.91Å; L69-L74 CarbonylContact C-O 3.49Å; L69-L74 HydrophobicContact CB-CB 4.16Å; L69-L74 WeakPolarHBondContact CB-O 3.36Å; L69-L74 HydrophobicContact CD2-CB 3.69Å; L69-L74 HydrophobicContact CD2-CD1 3.83Å; L69-L74 HydrophobicContact CD2-CG 4.42Å; L69-L74 PolarHBondContact O-N 3.43Å; L69-V77 HydrophobicContact CD1-CG2 4.07Å; L69-V77 HydrophobicContact CD2-CG2 3.93Å; L69-V77 HydrophobicContact CG-CG2 4.34Å |
| 70 | R | 70.5 | Confident | 65.2 | Low | 186 Ų | 186 | 72 Ų | 72 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.8 | -39.6 | 175.4 | -72.9 | 176.8 | -171.9 | -169.7 | 7.9 | 112.7 | E66 G67 F68 L72 N73 | E66-R70 VanDerWaalsContact O-CG 3.31Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 2.9Å; G67-R70 PolarHBondContact O-N 2.86Å; F68-R70 VanDerWaalsContact C-N 3.31Å; F68-R70 PolarHBondContact O-N 2.83Å; R70-L72 VanDerWaalsContact C-N 3.3Å; R70-L72 PolarHBondContact O-N 2.84Å; R70-N73 WeakPolarHBondContact O-CA 3.4Å; R70-N73 PolarHBondContact O-N 3.47Å |
| 71 | Q | 63.7 | Low | 64.2 | Low | 76 Ų | 76 | 75.1 Ų | 75.1 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.5 | -32.2 | 174.8 | -77.6 | 179.4 | -20 | 0 | 0 | 112.2 | G67 F68 L69 N73 R402 Y405 E407 | G67-Q71 PolarHBondContact O-N 2.83Å; F68-Q71 PolarHBondContact O-N 2.99Å; F68-Q71 VanDerWaalsContact O-N 3.16Å; L69-Q71 VanDerWaalsContact C-N 3.33Å; L69-Q71 PolarHBondContact O-N 3.24Å; Q71-N73 PolarHBondContact O-N 3.46Å; Q71-R402 PolarHBondContact O-NH1 2.8Å; Q71-Y405 HydrophobicContact CB-CE2 3.87Å; Q71-Y405 WeakPolarHBondContact CB-OH 3.26Å; Q71-Y405 PolarHBondContact OE1-OH 2.85Å; Q71-E407 PolarHBondContact NE2-OE2 2.93Å |
| 72 | L | 63.9 | Low | 63.6 | Low | 4 Ų | 4 | 81.7 Ų | 81.7 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.4 | 169.3 | -73.9 | -170.2 | 0 | 0 | 0 | 114.4 | F68 L69 R70 L74 W332 Y393 Y405 | F68-L72 HydrophobicContact CD1-CD1 4.11Å; F68-L72 HydrophobicContact CD1-CG 4.27Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CG 3.69Å; F68-L72 HydrophobicContact CZ-CD1 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.48Å; F68-L72 PolarHBondContact O-N 2.91Å; L69-L72 CarbonylContact O-C 3.56Å; L69-L72 WeakPolarHBondContact O-CA 3.4Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-L72 VanDerWaalsContact O-N 3.07Å; R70-L72 VanDerWaalsContact C-N 3.3Å; R70-L72 PolarHBondContact O-N 2.84Å; L72-L74 HydrophobicContact CB-CB 4.4Å; L72-L74 HydrophobicContact CB-CD1 3.77Å; L72-L74 HydrophobicContact CB-CG 3.77Å; L72-L74 HydrophobicContact CD1-CD1 3.63Å; L72-L74 HydrophobicContact CG-CD1 4.4Å; L72-L74 PolarHBondContact O-N 3.04Å; L72-W332 HydrophobicContact CD1-CE3 4.5Å; L72-W332 HydrophobicContact CD1-CH2 4.15Å; L72-W332 HydrophobicContact CD1-CZ3 3.55Å; L72-Y393 HydrophobicContact CD1-CD1 4.34Å; L72-Y393 HydrophobicContact CD1-CD2 3.99Å; L72-Y393 HydrophobicContact CD1-CE1 4.28Å; L72-Y393 HydrophobicContact CD1-CE2 3.91Å; L72-Y393 HydrophobicContact CD1-CG 4.21Å; L72-Y393 HydrophobicContact CD2-CD1 4.41Å; L72-Y393 HydrophobicContact CD2-CE1 3.79Å; L72-Y393 HydrophobicContact CD2-CE2 4.49Å; L72-Y405 HydrophobicContact CD2-CD2 3.5Å; L72-Y405 HydrophobicContact CD2-CE2 3.19Å; L72-Y405 HydrophobicContact CD2-CG 4.46Å; L72-Y405 HydrophobicContact CG-CD2 4.37Å; L72-Y405 HydrophobicContact CG-CE2 3.57Å |
| 73 | N | 63.8 | Low | 63.2 | Low | 103 Ų | 103 | 87.1 Ų | 87.1 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 28 | -171.4 | -140.4 | 3.3 | 0 | 0 | 0 | 113.8 | L69 R70 Q71 H138 | L69-N73 PolarHBondContact O-N 2.91Å; R70-N73 WeakPolarHBondContact O-CA 3.4Å; R70-N73 PolarHBondContact O-N 3.47Å; Q71-N73 PolarHBondContact O-N 3.46Å; N73-H138 PolarHBondContact ND2-CE1 2.86Å; N73-H138 PolarHBondContact ND2-NE2 2.85Å |
| 74 | L | 64.8 | Low | 63.5 | Low | 13 Ų | 13 | 86.1 Ų | 86.1 | 7% | 0.068 | 43% | 0.431 | C | S | . | . | trans | -90.5 | 137.9 | 171.8 | -63.8 | 174.6 | 0 | 0 | 0 | 109.1 | L69 L72 Y393 E395 | L69-L74 CarbonylContact C-O 3.49Å; L69-L74 HydrophobicContact CB-CB 4.16Å; L69-L74 WeakPolarHBondContact CB-O 3.36Å; L69-L74 HydrophobicContact CD2-CB 3.69Å; L69-L74 HydrophobicContact CD2-CD1 3.83Å; L69-L74 HydrophobicContact CD2-CG 4.42Å; L69-L74 PolarHBondContact O-N 3.43Å; L72-L74 HydrophobicContact CB-CB 4.4Å; L72-L74 HydrophobicContact CB-CD1 3.77Å; L72-L74 HydrophobicContact CB-CG 3.77Å; L72-L74 HydrophobicContact CD1-CD1 3.63Å; L72-L74 HydrophobicContact CG-CD1 4.4Å; L72-L74 PolarHBondContact O-N 3.04Å; L74-Y393 HydrophobicContact CD1-CD2 4.43Å; L74-Y393 HydrophobicContact CD1-CE2 4.19Å; L74-E395 HydrophobicContact CD2-CB 4.13Å; L74-E395 HydrophobicContact CD2-CG 3.52Å; L74-E395 WeakPolarHBondContact CD2-OE1 3.42Å | ||
| 75 | S | 60.2 | Low | 64.3 | Low | 133 Ų | 133 | 85.3 Ų | 85.3 | 93% | 0.93 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -86 | -19.1 | 175.9 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 76 | A | 65.8 | Low | 65.1 | Low | 57 Ų | 57 | 84.7 Ų | 84.7 | 47% | 0.471 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -158.1 | 160.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | P78 | A76-P78 WeakPolarHBondContact O-CD 3.46Š|
| 77 | V | 65.1 | Low | 65.9 | Low | 32 Ų | 32 | 82.2 Ų | 82.2 | 19% | 0.194 | 43% | 0.43 | C | S | . | . | trans | -60.5 | 124.2 | 165.8 | 167.9 | 0 | 0 | 0 | 0 | 107.6 | K65 L69 Q79 W332 | K65-V77 HydrophobicContact CD-CG2 4.09Å; K65-V77 HydrophobicContact CG-CG2 3.91Å; L69-V77 HydrophobicContact CD1-CG2 4.07Å; L69-V77 HydrophobicContact CD2-CG2 3.93Å; L69-V77 HydrophobicContact CG-CG2 4.34Å; V77-Q79 PolarHBondContact O-N 3.09Å; V77-W332 VanDerWaalsContact CG1-CD1 3.43Å; V77-W332 HydrophobicContact CG1-CG 4.04Å | ||
| 78 | P | 61 | Low | 67 | Low | 21 Ų | 21 | 87.7 Ų | 87.7 | 14% | 0.136 | 45% | 0.446 | C | S | . | . | trans | -59.4 | 110.5 | 177.1 | -24.9 | 36.2 | 0 | 0 | 0 | 110 | A76 E80 | A76-P78 WeakPolarHBondContact O-CD 3.46Å; P78-E80 HydrophobicContact CB-CG 4.34Å; P78-E80 PolarHBondContact O-N 2.91Å | ||
| 79 | Q | 51.6 | Low | 67.9 | Low | 191 Ų | 191 | 89.8 Ų | 89.8 | 89% | 0.893 | 46% | 0.456 | S | S | * | . | trans | -76 | 101.1 | 167.8 | -74.7 | -158.8 | -36 | 0 | 0 | 107.7 | V77 | V77-Q79 PolarHBondContact O-N 3.09Š| ||
| 80 | E | 54.7 | Low | 68.7 | Low | 53 Ų | 53 | 89.4 Ų | 89.4 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | trans | -108.9 | 109.8 | 177.2 | -71.8 | -173.2 | -178.8 | 0 | 0 | 111.1 | P78 R82 K394 G397 | P78-E80 HydrophobicContact CB-CG 4.34Å; P78-E80 PolarHBondContact O-N 2.91Å; E80-R82 PolarHBondContact O-N 2.88Å; E80-K394 WeakPolarHBondContact OE2-CD 3.01Å; E80-G397 VanDerWaalsContact OE1-CA 3.22Å; E80-G397 WeakPolarHBondContact OE1-CA 3.37Å; E80-G397 PolarHBondContact OE1-N 3.46Å | ||
| 81 | D | 50.3 | Low | 69.7 | Low | 175 Ų | 175 | 83 Ų | 83 | 94% | 0.936 | 44% | 0.435 | S | S | * | . | trans | -75.4 | -8 | 169.5 | -70.2 | -41.2 | 0 | 0 | 0 | 112.8 | ||||
| 82 | R | 56.3 | Low | 71 | Confident | 209 Ų | 209 | 84.4 Ų | 84.4 | 79% | 0.789 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -106.1 | 126.1 | 178.9 | -67.6 | -173.4 | 178.4 | -172 | -0.2 | 110.4 | E80 I84 | E80-R82 PolarHBondContact O-N 2.88Å; R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 2.71Å |
| 83 | K | 61.9 | Low | 72.3 | Confident | 206 Ų | 206 | 84.9 Ų | 84.9 | 90% | 0.896 | 44% | 0.444 | S | S | * | . | trans | -74.7 | 84.5 | 179 | -162.2 | -177.8 | -172.6 | -175 | 0 | 110 | ||||
| 84 | I | 73.6 | Confident | 73.6 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 22% | 0.221 | 42% | 0.422 | C | S | . | . | trans | -80.3 | 125.7 | 174.6 | -57.8 | 176.5 | 0 | 0 | 0 | 108.7 | R82 K394 G397 I399 | R82-I84 VanDerWaalsContact C-N 3.33Å; R82-I84 PolarHBondContact O-N 2.71Å; I84-K394 WeakPolarHBondContact O-CE 3.4Å; I84-K394 PolarHBondContact O-NZ 3.45Å; I84-G397 VanDerWaalsContact CD1-O 3.24Å; I84-G397 WeakPolarHBondContact CD1-O 3.41Å; I84-I399 HydrophobicContact CG2-CD1 4.09Å; I84-I399 HydrophobicContact CG2-CG1 4.03Å | ||
| 85 | S | 80.6 | Confident | 74.9 | Confident | 85 Ų | 85 | 84.3 Ų | 84.3 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | trans | -106.6 | 140.5 | 173.8 | 43.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 86 | P | 85.5 | Confident | 76.3 | Confident | 36 Ų | 36 | 84 Ų | 84 | 23% | 0.234 | 42% | 0.421 | C | S | . | . | trans | -64.1 | 138.8 | 172.6 | 31.6 | -37.5 | 0 | 0 | 0 | 110.2 | M90 V91 V334 M392 I399 | P86-M90 HydrophobicContact CB-CB 4.42Å; P86-V91 HydrophobicContact CB-CG2 4.04Å; P86-V91 HydrophobicContact CG-CG2 3.92Å; P86-V334 HydrophobicContact CG-CG1 3.78Å; P86-M392 HydrophobicContact CB-CE 4.25Å; P86-M392 HydrophobicContact CB-SD 3.95Å; P86-M392 HydrophobicContact CG-CE 4.25Å; P86-I399 HydrophobicContact CB-CD1 4.33Å; P86-I399 HydrophobicContact CB-CG1 4.36Å; P86-I399 HydrophobicContact CB-CG2 4.25Å | ||
| 87 | S | 86.5 | Confident | 77.2 | Confident | 49 Ų | 49 | 83 Ų | 83 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | trans | -65.3 | 156.8 | 169.2 | 68 | 0 | 0 | 0 | 0 | 110.2 | F89 M90 V91 | S87-F89 PolarHBondContact O-N 2.97Å; S87-M90 PolarHBondContact O-N 2.76Å; S87-M90 WeakPolarHBondContact OG-CG 3.44Å; S87-M90 PolarHBondContact OG-N 3.03Å; S87-V91 PolarHBondContact O-N 2.82Å; S87-V91 VanDerWaalsContact O-N 3.14Å | ||
| 88 | Q | 86.1 | Confident | 78.2 | Confident | 149 Ų | 149 | 83.1 Ų | 83.1 | 70% | 0.696 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.9 | -36.2 | 178.6 | -175.6 | 156.6 | -22.8 | 0 | 0 | 112.2 | M90 V91 E92 | Q88-M90 PolarHBondContact O-N 2.92Å; Q88-V91 WeakPolarHBondContact O-CB 3.4Å; Q88-V91 PolarHBondContact O-N 3.46Å; Q88-E92 WeakPolarHBondContact O-CG 3.42Å; Q88-E92 PolarHBondContact O-N 3.06Å |
| 89 | F | 87.1 | Confident | 79.1 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 25% | 0.25 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 173.8 | -179.4 | -101.8 | 0 | 0 | 0 | 112.9 | S87 V91 E92 L93 Q147 I252 | S87-F89 PolarHBondContact O-N 2.97Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 2.99Å; F89-E92 PolarHBondContact O-N 3.35Å; F89-L93 HydrophobicContact CD1-CD1 3.81Å; F89-L93 HydrophobicContact CD1-CG 4.27Å; F89-L93 HydrophobicContact CE1-CD1 3.23Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.85Å; F89-L93 HydrophobicContact CE2-CG 4.46Å; F89-L93 HydrophobicContact CZ-CD1 3.74Å; F89-L93 HydrophobicContact CZ-CD2 4.07Å; F89-L93 HydrophobicContact CZ-CG 3.95Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-Q147 VanDerWaalsContact CE2-NE2 3.27Å; F89-I252 HydrophobicContact CD1-CD1 4.32Å; F89-I252 HydrophobicContact CD1-CG1 4.19Å; F89-I252 HydrophobicContact CE1-CD1 4.43Å; F89-I252 HydrophobicContact CE1-CG1 3.88Å; F89-I252 HydrophobicContact CE1-CG2 4.21Å |
| 90 | M | 90.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 176.9 | -72.4 | -63.2 | -75.4 | 0 | 0 | 112 | P86 S87 Q88 L93 Y94 I110 I252 I399 I401 | P86-M90 HydrophobicContact CB-CB 4.42Å; S87-M90 PolarHBondContact O-N 2.76Å; S87-M90 WeakPolarHBondContact OG-CG 3.44Å; S87-M90 PolarHBondContact OG-N 3.03Å; Q88-M90 PolarHBondContact O-N 2.92Å; M90-L93 PolarHBondContact O-N 2.9Å; M90-L93 HydrophobicContact SD-CD1 4.1Å; M90-Y94 WeakPolarHBondContact O-CB 3.44Å; M90-Y94 PolarHBondContact O-N 3.28Å; M90-I110 HydrophobicContact CE-CG2 4.29Å; M90-I110 HydrophobicContact SD-CG2 4.32Å; M90-I252 HydrophobicContact SD-CD1 4.13Å; M90-I399 HydrophobicContact CB-CG2 4.47Å; M90-I399 HydrophobicContact CE-CB 4.39Å; M90-I399 HydrophobicContact CE-CG2 3.81Å; M90-I401 HydrophobicContact CE-CD1 3.56Å; M90-I401 HydrophobicContact CE-CG1 3.78Å; M90-I401 WeakPolarHBondContact O-CD1 3.35Å; M90-I401 HydrophobicContact SD-CD1 4.24Å |
| 91 | V | 91.8 | Very high | 80.5 | Confident | 50 Ų | 50 | 85 Ų | 85 | 30% | 0.303 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65 | -42 | 174.4 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | P86 S87 Q88 F89 Y94 N95 | P86-V91 HydrophobicContact CB-CG2 4.04Å; P86-V91 HydrophobicContact CG-CG2 3.92Å; S87-V91 PolarHBondContact O-N 2.82Å; S87-V91 VanDerWaalsContact O-N 3.14Å; Q88-V91 WeakPolarHBondContact O-CB 3.4Å; Q88-V91 PolarHBondContact O-N 3.46Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 2.99Å; V91-Y94 PolarHBondContact O-N 3.46Å; V91-N95 WeakPolarHBondContact O-CB 3.27Å; V91-N95 VanDerWaalsContact O-CG 3.31Å; V91-N95 PolarHBondContact O-N 2.81Å; V91-N95 PolarHBondContact O-ND2 2.85Å |
| 92 | E | 90.9 | Very high | 80.9 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 176.4 | -73.5 | 173.6 | -167.3 | 0 | 0 | 112.1 | Q88 F89 N95 K96 | Q88-E92 WeakPolarHBondContact O-CG 3.42Å; Q88-E92 PolarHBondContact O-N 3.06Å; F89-E92 PolarHBondContact O-N 3.35Å; E92-N95 PolarHBondContact O-N 3.35Å; E92-K96 VanDerWaalsContact O-CB 3.3Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 PolarHBondContact O-N 2.79Å |
| 93 | L | 90.1 | Very high | 80.9 | Confident | 14 Ų | 14 | 75.6 Ų | 75.6 | 7% | 0.073 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 172.5 | -73.1 | 178.4 | 0 | 0 | 0 | 111 | F89 M90 N95 K96 Y97 I110 I252 F254 I401 | F89-L93 HydrophobicContact CD1-CD1 3.81Å; F89-L93 HydrophobicContact CD1-CG 4.27Å; F89-L93 HydrophobicContact CE1-CD1 3.23Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.85Å; F89-L93 HydrophobicContact CE2-CG 4.46Å; F89-L93 HydrophobicContact CZ-CD1 3.74Å; F89-L93 HydrophobicContact CZ-CD2 4.07Å; F89-L93 HydrophobicContact CZ-CG 3.95Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.48Å; M90-L93 PolarHBondContact O-N 2.9Å; M90-L93 HydrophobicContact SD-CD1 4.1Å; L93-N95 PolarHBondContact O-N 2.93Å; L93-K96 WeakPolarHBondContact O-CB 3.29Å; L93-K96 PolarHBondContact O-N 3.47Å; L93-Y97 HydrophobicContact CD2-CE2 4.07Å; L93-Y97 WeakPolarHBondContact O-CD2 3.27Å; L93-Y97 PolarHBondContact O-N 2.98Å; L93-Y97 VanDerWaalsContact O-N 3.09Å; L93-I110 HydrophobicContact CB-CD1 4.41Å; L93-I110 HydrophobicContact CD1-CD1 4.24Å; L93-I110 HydrophobicContact CD1-CG2 4.15Å; L93-I252 HydrophobicContact CD1-CG2 4.46Å; L93-F254 HydrophobicContact CD1-CE1 4.47Å; L93-F254 HydrophobicContact CD1-CZ 4.22Å; L93-I401 HydrophobicContact CB-CD1 4.1Å |
| 94 | Y | 92.2 | Very high | 80.9 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 9% | 0.09 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55 | -51.4 | 177.5 | 170.6 | -92.8 | 0 | 0 | 0 | 111.4 | M90 V91 K96 Y97 S98 A335 P336 T390 M392 I401 | M90-Y94 WeakPolarHBondContact O-CB 3.44Å; M90-Y94 PolarHBondContact O-N 3.28Å; V91-Y94 PolarHBondContact O-N 3.46Å; Y94-K96 VanDerWaalsContact C-N 3.32Å; Y94-K96 PolarHBondContact O-N 2.92Å; Y94-Y97 PolarHBondContact O-N 3.5Å; Y94-S98 VanDerWaalsContact O-CB 3.3Å; Y94-S98 WeakPolarHBondContact O-CB 3.25Å; Y94-S98 PolarHBondContact O-N 3.38Å; Y94-S98 PolarHBondContact O-OG 2.9Å; Y94-A335 HydrophobicContact CD1-CB 4.13Å; Y94-A335 HydrophobicContact CD2-CB 4.37Å; Y94-A335 HydrophobicContact CE1-CB 3.74Å; Y94-A335 HydrophobicContact CE2-CB 3.97Å; Y94-A335 HydrophobicContact CG-CB 4.44Å; Y94-P336 WeakPolarHBondContact OH-CB 3.33Å; Y94-P336 VanDerWaalsContact OH-CD 3.24Å; Y94-P336 WeakPolarHBondContact OH-CD 3.35Å; Y94-T390 HydrophobicContact CD2-CG2 3.95Å; Y94-T390 HydrophobicContact CE2-CG2 3.93Å; Y94-M392 HydrophobicContact CD2-CB 3.81Å; Y94-M392 HydrophobicContact CE2-CB 4.32Å; Y94-M392 HydrophobicContact CG-CB 4.41Å; Y94-I401 HydrophobicContact CD2-CG2 4.45Å |
| 95 | N | 91.8 | Very high | 80.7 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | -178.5 | -72.5 | -29.4 | 0 | 0 | 0 | 112.9 | V91 E92 L93 S98 S99 | V91-N95 WeakPolarHBondContact O-CB 3.27Å; V91-N95 VanDerWaalsContact O-CG 3.31Å; V91-N95 PolarHBondContact O-N 2.81Å; V91-N95 PolarHBondContact O-ND2 2.85Å; E92-N95 PolarHBondContact O-N 3.35Å; L93-N95 PolarHBondContact O-N 2.93Å; N95-S98 WeakPolarHBondContact CA-OG 3.44Å; N95-S98 PolarHBondContact O-OG 2.92Å; N95-S99 VanDerWaalsContact O-CB 3.32Å; N95-S99 WeakPolarHBondContact O-CB 3.17Å; N95-S99 PolarHBondContact O-N 3.31Å; N95-S99 PolarHBondContact O-OG 2.92Å |
| 96 | K | 88.5 | Confident | 80.3 | Confident | 127 Ų | 127 | 73 Ų | 73 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60 | -47.7 | 176.4 | 177.7 | -175.3 | 177.5 | -172.1 | 0 | 110.9 | E92 L93 Y94 N100 | E92-K96 VanDerWaalsContact O-CB 3.3Å; E92-K96 WeakPolarHBondContact O-CB 3.39Å; E92-K96 PolarHBondContact O-N 2.79Å; L93-K96 WeakPolarHBondContact O-CB 3.29Å; L93-K96 PolarHBondContact O-N 3.47Å; Y94-K96 VanDerWaalsContact C-N 3.32Å; Y94-K96 PolarHBondContact O-N 2.92Å; K96-N100 WeakPolarHBondContact O-CB 3.41Å; K96-N100 PolarHBondContact O-N 3.32Å |
| 97 | Y | 84.3 | Confident | 80.2 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -81.9 | -35.5 | -175.8 | -71 | -66.6 | 0 | 0 | 0 | 112.8 | L93 Y94 S99 P105 F107 I110 Y403 | L93-Y97 HydrophobicContact CD2-CE2 4.07Å; L93-Y97 WeakPolarHBondContact O-CD2 3.27Å; L93-Y97 PolarHBondContact O-N 2.98Å; L93-Y97 VanDerWaalsContact O-N 3.09Å; Y94-Y97 PolarHBondContact O-N 3.5Å; Y97-S99 PolarHBondContact O-N 2.83Å; Y97-P105 HydrophobicContact CD1-CB 4.43Å; Y97-P105 HydrophobicContact CE1-CB 4.14Å; Y97-F107 HydrophobicContact CD1-CZ 4.4Å; Y97-F107 HydrophobicContact CD2-CZ 4.27Å; Y97-F107 HydrophobicContact CE1-CE1 4.38Å; Y97-F107 HydrophobicContact CE1-CE2 4.43Å; Y97-F107 AromaticContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE2-CE2 4.3Å; Y97-F107 AromaticContact CE2-CZ 3.6Å; Y97-F107 HydrophobicContact CE2-CZ 3.6Å; Y97-F107 AromaticContact CZ-CE1 3.99Å; Y97-F107 AromaticContact CZ-CZ 3.3Å; Y97-F107 WeakPolarHBondContact OH-CZ 3.45Å; Y97-I110 HydrophobicContact CD2-CD1 4.21Å; Y97-I110 HydrophobicContact CE2-CD1 4.21Å; Y97-Y403 HydrophobicContact CD1-CD2 4.34Å; Y97-Y403 HydrophobicContact CD1-CE2 4.19Å; Y97-Y403 HydrophobicContact CG-CD2 4.32Å; Y97-Y403 HydrophobicContact CG-CE2 4.43Å; Y97-Y403 WeakPolarHBondContact O-CE2 3.25Å |
| 98 | S | 86.3 | Confident | 80.1 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62 | -33 | 176.6 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | Y94 N95 | Y94-S98 VanDerWaalsContact O-CB 3.3Å; Y94-S98 WeakPolarHBondContact O-CB 3.25Å; Y94-S98 PolarHBondContact O-N 3.38Å; Y94-S98 PolarHBondContact O-OG 2.9Å; N95-S98 WeakPolarHBondContact CA-OG 3.44Å; N95-S98 PolarHBondContact O-OG 2.92Å |
| 99 | S | 81 | Confident | 80.3 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 69% | 0.692 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -90.1 | -33.4 | -174.9 | -51.3 | 0 | 0 | 0 | 0 | 113.5 | N95 Y97 | N95-S99 VanDerWaalsContact O-CB 3.32Å; N95-S99 WeakPolarHBondContact O-CB 3.17Å; N95-S99 PolarHBondContact O-N 3.31Å; N95-S99 PolarHBondContact O-OG 2.92Å; Y97-S99 PolarHBondContact O-N 2.83Å |
| 100 | N | 71.9 | Confident | 80.6 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | trans | -103.1 | 87.4 | -175.9 | -166.1 | -6.7 | 0 | 0 | 0 | 111.5 | K96 S102 Y403 | K96-N100 WeakPolarHBondContact O-CB 3.41Å; K96-N100 PolarHBondContact O-N 3.32Å; N100-S102 PolarHBondContact OD1-N 3.25Å; N100-Y403 PolarHBondContact O-OH 3.47Å | ||
| 101 | R | 63.2 | Low | 80.7 | Confident | 117 Ų | 117 | 60.9 Ų | 60.9 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | trans | -83.8 | -4.3 | 178.1 | -66.3 | -168.2 | 179.9 | -139.6 | -2 | 114.4 | P388 | R101-P388 PolarHBondContact NH1-O 3.28Å; R101-P388 PolarHBondContact NH2-O 2.84Å | ||
| 102 | S | 58.3 | Low | 80.8 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 85% | 0.853 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -83.6 | -15.4 | -170.8 | -57.7 | 0 | 0 | 0 | 0 | 114 | N100 | N100-S102 PolarHBondContact OD1-N 3.25Š|
| 103 | A | 57.6 | Low | 80.9 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -117.9 | 111.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P105 | A103-P105 VanDerWaalsContact O-CD 3.28Å; A103-P105 WeakPolarHBondContact O-CD 3.37Å |
| 104 | V | 61.5 | Low | 80.9 | Confident | 107 Ų | 107 | 57.4 Ų | 57.4 | 65% | 0.648 | 33% | 0.326 | S | S | * | . | trans | -62.6 | 116.2 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 105 | P | 68.4 | Low | 80.8 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | trans | -64.7 | 147 | 177.5 | 25 | -28.2 | 0 | 0 | 0 | 109.2 | Y97 A103 F107 R261 Y403 | Y97-P105 HydrophobicContact CD1-CB 4.43Å; Y97-P105 HydrophobicContact CE1-CB 4.14Å; A103-P105 VanDerWaalsContact O-CD 3.28Å; A103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-F107 HydrophobicContact CB-CD1 4.23Å; P105-F107 HydrophobicContact CB-CD2 4.28Å; P105-F107 HydrophobicContact CB-CE1 4.11Å; P105-F107 HydrophobicContact CB-CE2 4.11Å; P105-F107 HydrophobicContact CB-CG 4.34Å; P105-F107 HydrophobicContact CB-CZ 4.08Å; P105-F107 WeakPolarHBondContact CG-O 3.34Å; P105-F107 PolarHBondContact O-N 2.94Å; P105-R261 PolarHBondContact O-NH1 3.2Å; P105-R261 PolarHBondContact O-NH2 3.19Å; P105-Y403 HydrophobicContact CG-CD1 3.18Å; P105-Y403 HydrophobicContact CG-CD2 4.01Å; P105-Y403 HydrophobicContact CG-CE1 3.46Å; P105-Y403 VanDerWaalsContact CG-CE1 3.46Å; P105-Y403 HydrophobicContact CG-CE2 4.14Å; P105-Y403 HydrophobicContact CG-CG 3.52Å | ||
| 106 | Q | 73.1 | Confident | 80.7 | Confident | 160 Ų | 160 | 58 Ų | 58 | 75% | 0.748 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -65 | -14.3 | 175.3 | -69.6 | -178.1 | -3.9 | 0 | 0 | 112.3 | I142 | Q106-I142 WeakPolarHBondContact O-CD1 3.17Š|
| 107 | F | 83 | Confident | 80.7 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | trans | -118.9 | 163 | 179.8 | 60.9 | -101.4 | 0 | 0 | 0 | 110.8 | Y97 P105 I110 I142 F254 | Y97-F107 HydrophobicContact CD1-CZ 4.4Å; Y97-F107 HydrophobicContact CD2-CZ 4.27Å; Y97-F107 HydrophobicContact CE1-CE1 4.38Å; Y97-F107 HydrophobicContact CE1-CE2 4.43Å; Y97-F107 AromaticContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE1-CZ 3.71Å; Y97-F107 HydrophobicContact CE2-CE2 4.3Å; Y97-F107 AromaticContact CE2-CZ 3.6Å; Y97-F107 HydrophobicContact CE2-CZ 3.6Å; Y97-F107 AromaticContact CZ-CE1 3.99Å; Y97-F107 AromaticContact CZ-CZ 3.3Å; Y97-F107 WeakPolarHBondContact OH-CZ 3.45Å; P105-F107 HydrophobicContact CB-CD1 4.23Å; P105-F107 HydrophobicContact CB-CD2 4.28Å; P105-F107 HydrophobicContact CB-CE1 4.11Å; P105-F107 HydrophobicContact CB-CE2 4.11Å; P105-F107 HydrophobicContact CB-CG 4.34Å; P105-F107 HydrophobicContact CB-CZ 4.08Å; P105-F107 WeakPolarHBondContact CG-O 3.34Å; P105-F107 PolarHBondContact O-N 2.94Å; F107-I110 HydrophobicContact CD2-CD1 4.43Å; F107-I110 HydrophobicContact CD2-CG1 3.94Å; F107-I110 HydrophobicContact CE2-CD1 3.55Å; F107-I110 HydrophobicContact CE2-CG1 3.55Å; F107-I110 HydrophobicContact CZ-CD1 3.93Å; F107-I110 HydrophobicContact CZ-CG1 4.26Å; F107-I142 HydrophobicContact CB-CD1 3.67Å; F107-F254 HydrophobicContact CB-CB 4.22Å; F107-F254 HydrophobicContact CD1-CB 4.29Å; F107-F254 AromaticContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CG 4.43Å; F107-F254 HydrophobicContact CD2-CD1 4.11Å; F107-F254 AromaticContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CE1 4Å; F107-F254 AromaticContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CE1 4.43Å; F107-F254 HydrophobicContact CG-CB 4.21Å; F107-F254 HydrophobicContact CG-CD1 4.01Å; F107-F254 AromaticContact CZ-CD1 3.65Å; F107-F254 HydrophobicContact CZ-CD1 3.65Å; F107-F254 AromaticContact CZ-CE1 3.86Å; F107-F254 HydrophobicContact CZ-CE1 3.86Å | ||
| 108 | D | 84.3 | Confident | 80.9 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -117.8 | -26.1 | 177.2 | -76.4 | -27 | 0 | 0 | 0 | 113.2 | S255 R261 R402 Y403 | D108-S255 PolarHBondContact N-O 2.81Å; D108-R261 VanDerWaalsContact CG-NE 3.3Å; D108-R261 IonicContact OD1-CZ 3.21Å; D108-R261 IonicContact OD1-NE 3.19Å; D108-R261 PolarHBondContact OD1-NE 2.96Å; D108-R261 IonicContact OD1-NH1 2.97Å; D108-R261 PolarHBondContact OD1-NH1 3.19Å; D108-R261 VanDerWaalsContact OD1-NH1 3.15Å; D108-R261 IonicContact OD1-NH2 2.66Å; D108-R261 PolarHBondContact OD1-NH2 2.8Å; D108-R261 WeakPolarHBondContact OD2-CD 3.32Å; D108-R261 WeakPolarHBondContact OD2-CG 3.47Å; D108-R261 IonicContact OD2-CZ 2.69Å; D108-R261 IonicContact OD2-NE 3.35Å; D108-R261 PolarHBondContact OD2-NE 2.99Å; D108-R261 IonicContact OD2-NH2 3.69Å; D108-R261 PolarHBondContact OD2-NH2 3.24Å; D108-R402 WeakPolarHBondContact O-CA 3.11Å; D108-Y403 PolarHBondContact O-N 2.96Å |
| 109 | V | 90.4 | Very high | 81 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.6 | -173 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | R111 F254 S255 T400 I401 | V109-R111 HydrophobicContact CG1-CG 4.19Å; V109-F254 WeakPolarHBondContact O-CA 3.23Å; V109-S255 PolarHBondContact N-O 2.81Å; V109-S255 PolarHBondContact O-N 2.88Å; V109-T400 HydrophobicContact CG1-CG2 3.62Å; V109-I401 CarbonylContact C-O 3.6Å; V109-I401 WeakPolarHBondContact CA-O 3.46Å |
| 110 | I | 93.4 | Very high | 81.2 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.1 | 172.5 | -45.8 | 175.7 | 0 | 0 | 0 | 107.7 | M90 L93 Y97 F107 I252 I253 F254 T400 I401 | M90-I110 HydrophobicContact CE-CG2 4.29Å; M90-I110 HydrophobicContact SD-CG2 4.32Å; L93-I110 HydrophobicContact CB-CD1 4.41Å; L93-I110 HydrophobicContact CD1-CD1 4.24Å; L93-I110 HydrophobicContact CD1-CG2 4.15Å; Y97-I110 HydrophobicContact CD2-CD1 4.21Å; Y97-I110 HydrophobicContact CE2-CD1 4.21Å; F107-I110 HydrophobicContact CD2-CD1 4.43Å; F107-I110 HydrophobicContact CD2-CG1 3.94Å; F107-I110 HydrophobicContact CE2-CD1 3.55Å; F107-I110 HydrophobicContact CE2-CG1 3.55Å; F107-I110 HydrophobicContact CZ-CD1 3.93Å; F107-I110 HydrophobicContact CZ-CG1 4.26Å; I110-I252 HydrophobicContact CG2-CG2 3.68Å; I110-I253 CarbonylContact C-O 3.55Å; I110-I253 WeakPolarHBondContact CA-O 3.36Å; I110-F254 HydrophobicContact CB-CD1 4.45Å; I110-F254 HydrophobicContact CD1-CD1 4.02Å; I110-F254 HydrophobicContact CD1-CE1 3.71Å; I110-F254 HydrophobicContact CG1-CD1 3.73Å; I110-F254 HydrophobicContact CG1-CE1 3.91Å; I110-F254 HydrophobicContact CG2-CD1 4.12Å; I110-F254 HydrophobicContact CG2-CE1 3.96Å; I110-F254 HydrophobicContact CG2-CZ 4.29Å; I110-T400 CarbonylContact O-C 3.47Å; I110-T400 VanDerWaalsContact O-CA 3.28Å; I110-T400 WeakPolarHBondContact O-CA 3.3Å; I110-I401 HydrophobicContact CB-CB 4.16Å; I110-I401 HydrophobicContact CD1-CB 4.46Å; I110-I401 HydrophobicContact CD1-CD1 4.38Å; I110-I401 HydrophobicContact CG1-CB 4.48Å; I110-I401 PolarHBondContact N-O 2.67Å; I110-I401 PolarHBondContact O-N 2.98Å |
| 111 | R | 93.4 | Very high | 81.3 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136 | 176.4 | -68 | -171.2 | 177.6 | 86.3 | -3.6 | 111.3 | V109 F113 E139 I252 I253 S255 E395 T400 | V109-R111 HydrophobicContact CG1-CG 4.19Å; R111-F113 HydrophobicContact CB-CD2 4.15Å; R111-F113 HydrophobicContact CB-CE2 3.48Å; R111-F113 VanDerWaalsContact CB-CE2 3.48Å; R111-F113 HydrophobicContact CB-CZ 4.11Å; R111-E139 IonicContact CZ-OE1 3.41Å; R111-E139 IonicContact CZ-OE2 3.11Å; R111-E139 VanDerWaalsContact NH1-CD 3.33Å; R111-E139 IonicContact NH1-OE1 2.71Å; R111-E139 PolarHBondContact NH1-OE1 3.14Å; R111-E139 IonicContact NH1-OE2 3.94Å; R111-E139 PolarHBondContact NH1-OE2 3.11Å; R111-E139 IonicContact NH2-OE1 2.63Å; R111-E139 PolarHBondContact NH2-OE1 3.38Å; R111-E139 IonicContact NH2-OE2 3.17Å; R111-I252 WeakPolarHBondContact O-CA 3.23Å; R111-I253 PolarHBondContact N-O 2.75Å; R111-I253 PolarHBondContact O-N 2.84Å; R111-S255 PolarHBondContact NH1-OG 3.27Å; R111-E395 IonicContact NE-OE2 3.25Å; R111-E395 PolarHBondContact NE-OE2 2.9Å; R111-E395 IonicContact NH2-OE2 3.24Å; R111-T400 HydrophobicContact CG-CG2 3.87Å |
| 112 | S | 93.8 | Very high | 81.4 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.4 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | I252 R398 I399 | S112-I252 WeakPolarHBondContact OG-CD1 3.31Å; S112-R398 VanDerWaalsContact O-CB 3.31Å; S112-R398 WeakPolarHBondContact O-CB 3.35Å; S112-I399 PolarHBondContact N-O 3.46Å |
| 113 | F | 91.8 | Very high | 81.7 | Confident | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.2 | 176.5 | -66.4 | -94.1 | 0 | 0 | 0 | 109.5 | R111 N132 V133 I135 A250 L251 I253 R398 | R111-F113 HydrophobicContact CB-CD2 4.15Å; R111-F113 HydrophobicContact CB-CE2 3.48Å; R111-F113 VanDerWaalsContact CB-CE2 3.48Å; R111-F113 HydrophobicContact CB-CZ 4.11Å; F113-N132 VanDerWaalsContact CD1-O 3.23Å; F113-N132 WeakPolarHBondContact CD1-O 3.48Å; F113-V133 HydrophobicContact CE1-CG1 4.45Å; F113-V133 HydrophobicContact CZ-CG1 4.25Å; F113-I135 HydrophobicContact CE2-CD1 4.02Å; F113-I135 HydrophobicContact CZ-CD1 3.83Å; F113-A250 WeakPolarHBondContact O-CA 3.45Å; F113-L251 HydrophobicContact CB-CB 4.2Å; F113-L251 PolarHBondContact N-O 3.4Å; F113-L251 PolarHBondContact O-N 2.6Å; F113-I253 HydrophobicContact CD2-CD1 3.81Å; F113-I253 HydrophobicContact CD2-CG1 4.02Å; F113-I253 HydrophobicContact CE2-CB 4.19Å; F113-I253 HydrophobicContact CE2-CD1 3.55Å; F113-I253 HydrophobicContact CE2-CG1 3.97Å; F113-I253 HydrophobicContact CZ-CD1 4.36Å; F113-R398 VanDerWaalsContact CE1-NH1 3.26Å |
| 114 | A | 90.3 | Very high | 81.9 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 58% | 0.579 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 143.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q116 | A114-Q116 PolarHBondContact O-N 3.39Å |
| 115 | V | 91.1 | Very high | 82.6 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | trans | -61.1 | 134.8 | 169.6 | 67 | 0 | 0 | 0 | 0 | 110.2 | D117 V118 L129 F131 V243 A248 A249 | V115-D117 WeakPolarHBondContact CG2-O 3.38Å; V115-V118 HydrophobicContact CG1-CG2 4.34Å; V115-V118 HydrophobicContact CG2-CG2 3.74Å; V115-L129 HydrophobicContact CG2-CB 4.27Å; V115-L129 HydrophobicContact CG2-CD2 4.34Å; V115-F131 HydrophobicContact CB-CD1 4.43Å; V115-F131 HydrophobicContact CB-CE1 3.79Å; V115-F131 HydrophobicContact CB-CZ 4.12Å; V115-F131 HydrophobicContact CG2-CE1 4.3Å; V115-F131 HydrophobicContact CG2-CZ 4.25Å; V115-V243 HydrophobicContact CG1-CG2 4.46Å; V115-A248 HydrophobicContact CG1-CB 4.12Å; V115-A249 HydrophobicContact CB-CB 4.22Å; V115-A249 WeakPolarHBondContact CB-O 3.09Å; V115-A249 HydrophobicContact CG1-CB 4.23Å; V115-A249 WeakPolarHBondContact CG1-O 3.36Å; V115-A249 PolarHBondContact N-O 3.21Å | ||
| 116 | Q | 88.9 | Confident | 83.5 | Confident | 111 Ų | 111 | 56.8 Ų | 56.8 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | trans | -90.7 | -40.2 | 178 | -67 | -162.8 | -29.8 | 0 | 0 | 112.3 | A114 Q130 N132 | A114-Q116 PolarHBondContact O-N 3.39Å; Q116-Q130 PolarHBondContact N-O 3.36Å; Q116-N132 VanDerWaalsContact CD-CB 3.49Å; Q116-N132 HydrophobicContact CG-CB 4.38Å | ||
| 117 | D | 88.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 147.9 | -178.7 | -169.1 | 24.5 | 0 | 0 | 0 | 111.1 | V115 M119 Q130 | V115-D117 WeakPolarHBondContact CG2-O 3.38Å; D117-M119 WeakPolarHBondContact OD2-CG 3.4Å; D117-Q130 HydrophobicContact CB-CB 4.38Å; D117-Q130 PolarHBondContact O-N 3.08Å |
| 118 | V | 89.4 | Confident | 84.6 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 104.8 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V115 F127 R128 L129 A241 V243 | V115-V118 HydrophobicContact CG1-CG2 4.34Å; V115-V118 HydrophobicContact CG2-CG2 3.74Å; V118-F127 HydrophobicContact CG1-CB 4.35Å; V118-F127 HydrophobicContact CG1-CD1 4.12Å; V118-R128 WeakPolarHBondContact CA-O 3.42Å; V118-L129 HydrophobicContact CB-CD2 4.18Å; V118-L129 HydrophobicContact CG1-CD2 3.75Å; V118-L129 HydrophobicContact CG2-CD2 3.63Å; V118-A241 HydrophobicContact CB-CB 4.46Å; V118-A241 HydrophobicContact CG1-CB 3.76Å; V118-V243 HydrophobicContact CG2-CG2 3.95Å |
| 119 | M | 87.6 | Confident | 85 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 39% | 0.394 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.6 | 178.7 | -58.4 | -179.6 | 71.8 | 0 | 0 | 110.7 | D117 F127 R128 | D117-M119 WeakPolarHBondContact OD2-CG 3.4Å; M119-F127 CarbonylContact O-C 3.46Å; M119-F127 VanDerWaalsContact O-CA 3.3Å; M119-F127 WeakPolarHBondContact O-CA 3.4Å; M119-R128 HydrophobicContact CB-CB 4.36Å; M119-R128 PolarHBondContact N-O 2.94Å; M119-R128 PolarHBondContact O-N 3.28Å |
| 120 | T | 84.4 | Confident | 85 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 63% | 0.632 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 126.2 | 171.1 | 24.2 | 0 | 0 | 0 | 0 | 110.7 | R126 F127 | T120-R126 CarbonylContact C-O 3.59Å; T120-R126 WeakPolarHBondContact CA-O 3.39Å; T120-F127 HydrophobicContact CG2-CD1 3.49Å; T120-F127 VanDerWaalsContact CG2-CD1 3.49Å; T120-F127 HydrophobicContact CG2-CE1 3.39Å; T120-F127 HydrophobicContact CG2-CG 4.46Å; T120-F127 HydrophobicContact CG2-CZ 4.29Å |
| 121 | I | 73.9 | Confident | 84.9 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | trans | -117.4 | 111.5 | -173.9 | -57.5 | -173.6 | 0 | 0 | 0 | 111 | R126 R128 T178 | I121-R126 PolarHBondContact N-O 2.81Å; I121-R126 VanDerWaalsContact O-CB 3.31Å; I121-R126 WeakPolarHBondContact O-CB 3.43Å; I121-R128 HydrophobicContact CD1-CB 3.44Å; I121-R128 VanDerWaalsContact CD1-CB 3.44Å; I121-R128 HydrophobicContact CD1-CG 4.21Å; I121-R128 VanDerWaalsContact CD1-NE 3.29Å; I121-R128 HydrophobicContact CG1-CB 4.11Å; I121-T178 HydrophobicContact CG2-CG2 4.3Å | ||
| 122 | G | 65.8 | Low | 84.7 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 68% | 0.68 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 80.6 | -148.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 123 | P | 64.1 | Low | 84.4 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -59.4 | 148.7 | 178.3 | 25.9 | -31.9 | 0 | 0 | 0 | 110.2 | S125 | P123-S125 PolarHBondContact O-N 3.05Š|
| 124 | K | 62.6 | Low | 84.2 | Confident | 185 Ų | 185 | 58.1 Ų | 58.1 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 23.2 | -160.4 | -66.7 | -179.2 | 172.8 | 179.7 | 0 | 119.8 | ||
| 125 | S | 76.5 | Confident | 84.1 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.3 | 12.9 | -168 | -78.9 | 0 | 0 | 0 | 0 | 113.9 | P123 A221 V222 | P123-S125 PolarHBondContact O-N 3.05Å; S125-A221 WeakPolarHBondContact O-CA 3.46Å; S125-V222 WeakPolarHBondContact CB-O 3.43Å; S125-V222 PolarHBondContact O-N 2.81Å; S125-V222 PolarHBondContact OG-O 2.76Å |
| 126 | R | 86.9 | Confident | 83.9 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.1 | 175.5 | -67.3 | -175.1 | 179.2 | -152.6 | -0.1 | 111.5 | T120 I121 V220 A221 | T120-R126 CarbonylContact C-O 3.59Å; T120-R126 WeakPolarHBondContact CA-O 3.39Å; I121-R126 PolarHBondContact N-O 2.81Å; I121-R126 VanDerWaalsContact O-CB 3.31Å; I121-R126 WeakPolarHBondContact O-CB 3.43Å; R126-V220 CarbonylContact C-O 3.53Å; R126-V220 VanDerWaalsContact CA-O 3.26Å; R126-V220 WeakPolarHBondContact CA-O 3.37Å; R126-A221 HydrophobicContact CG-CB 3.9Å |
| 127 | F | 89.6 | Confident | 83.7 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.1 | -174.4 | -55.1 | -90.4 | 0 | 0 | 0 | 109.4 | V118 M119 T120 D219 V220 V222 M239 A241 | V118-F127 HydrophobicContact CG1-CB 4.35Å; V118-F127 HydrophobicContact CG1-CD1 4.12Å; M119-F127 CarbonylContact O-C 3.46Å; M119-F127 VanDerWaalsContact O-CA 3.3Å; M119-F127 WeakPolarHBondContact O-CA 3.4Å; T120-F127 HydrophobicContact CG2-CD1 3.49Å; T120-F127 VanDerWaalsContact CG2-CD1 3.49Å; T120-F127 HydrophobicContact CG2-CE1 3.39Å; T120-F127 HydrophobicContact CG2-CG 4.46Å; T120-F127 HydrophobicContact CG2-CZ 4.29Å; F127-D219 CarbonylContact O-C 3.52Å; F127-D219 WeakPolarHBondContact O-CA 3.36Å; F127-V220 PolarHBondContact N-O 2.88Å; F127-V220 PolarHBondContact O-N 3.13Å; F127-V222 HydrophobicContact CD2-CG2 4.27Å; F127-V222 HydrophobicContact CE2-CG2 4Å; F127-M239 HydrophobicContact CB-CE 3.54Å; F127-M239 HydrophobicContact CD1-CE 3.77Å; F127-M239 HydrophobicContact CD2-CE 3.39Å; F127-M239 HydrophobicContact CD2-SD 4.16Å; F127-M239 HydrophobicContact CE1-CE 4.31Å; F127-M239 HydrophobicContact CE2-CB 4.37Å; F127-M239 HydrophobicContact CE2-CE 3.99Å; F127-M239 HydrophobicContact CG-CE 3.27Å; F127-M239 HydrophobicContact CZ-CE 4.41Å; F127-A241 HydrophobicContact CD1-CB 4.41Å; F127-A241 HydrophobicContact CE1-CB 4.25Å |
| 128 | R | 90.5 | Very high | 83.4 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 6% | 0.06 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 117.1 | 170.3 | 175.9 | 166.5 | -68.8 | -177.7 | -6.1 | 108.3 | V118 M119 I121 D175 N176 A217 L218 D219 | V118-R128 WeakPolarHBondContact CA-O 3.42Å; M119-R128 HydrophobicContact CB-CB 4.36Å; M119-R128 PolarHBondContact N-O 2.94Å; M119-R128 PolarHBondContact O-N 3.28Å; I121-R128 HydrophobicContact CD1-CB 3.44Å; I121-R128 VanDerWaalsContact CD1-CB 3.44Å; I121-R128 HydrophobicContact CD1-CG 4.21Å; I121-R128 VanDerWaalsContact CD1-NE 3.29Å; I121-R128 HydrophobicContact CG1-CB 4.11Å; R128-D175 PolarHBondContact NH1-O 2.97Å; R128-D175 PolarHBondContact NH2-O 2.99Å; R128-N176 PolarHBondContact NH1-OD1 2.95Å; R128-A217 HydrophobicContact CG-CB 4.42Å; R128-L218 WeakPolarHBondContact CA-O 3.22Å; R128-D219 VanDerWaalsContact CB-OD1 3.28Å; R128-D219 WeakPolarHBondContact CB-OD1 2.84Å; R128-D219 WeakPolarHBondContact CG-OD1 3.31Å; R128-D219 IonicContact CZ-OD1 3.52Å; R128-D219 IonicContact CZ-OD2 3.71Å; R128-D219 IonicContact NE-OD1 2.75Å; R128-D219 PolarHBondContact NE-OD1 2.96Å; R128-D219 IonicContact NE-OD2 3.71Å; R128-D219 IonicContact NH2-OD1 3.43Å; R128-D219 PolarHBondContact NH2-OD1 2.87Å; R128-D219 IonicContact NH2-OD2 2.85Å; R128-D219 PolarHBondContact NH2-OD2 2.96Å |
| 129 | L | 92.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127 | 179.8 | -52.8 | 178 | 0 | 0 | 0 | 108.5 | V115 V118 F131 L146 L148 A217 L218 V220 M239 A249 | V115-L129 HydrophobicContact CG2-CB 4.27Å; V115-L129 HydrophobicContact CG2-CD2 4.34Å; V118-L129 HydrophobicContact CB-CD2 4.18Å; V118-L129 HydrophobicContact CG1-CD2 3.75Å; V118-L129 HydrophobicContact CG2-CD2 3.63Å; L129-F131 HydrophobicContact CB-CD2 4.4Å; L129-F131 HydrophobicContact CB-CE2 3.59Å; L129-F131 HydrophobicContact CB-CZ 4.14Å; L129-F131 HydrophobicContact CD1-CE2 4.36Å; L129-F131 HydrophobicContact CD1-CZ 4.42Å; L129-L146 HydrophobicContact CD1-CD1 4.15Å; L129-L146 HydrophobicContact CD1-CD2 4.18Å; L129-L148 HydrophobicContact CD1-CD2 3.63Å; L129-A217 CarbonylContact O-C 3.49Å; L129-A217 VanDerWaalsContact O-CA 3.31Å; L129-A217 WeakPolarHBondContact O-CA 3.24Å; L129-L218 PolarHBondContact N-O 2.87Å; L129-L218 PolarHBondContact O-N 3.3Å; L129-V220 HydrophobicContact CD1-CG2 3.74Å; L129-V220 HydrophobicContact CG-CG2 4.27Å; L129-M239 HydrophobicContact CD2-CE 4.36Å; L129-A249 HydrophobicContact CD1-CB 4.21Å |
| 130 | Q | 91.2 | Very high | 83.5 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.2 | 176.1 | -64.8 | -172.1 | -1 | 0 | 0 | 110.9 | Q116 D117 | Q116-Q130 PolarHBondContact N-O 3.36Å; D117-Q130 HydrophobicContact CB-CB 4.38Å; D117-Q130 PolarHBondContact O-N 3.08Å |
| 131 | F | 90.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.9 | 175.7 | -60.9 | -87.8 | 0 | 0 | 0 | 110.2 | V115 L129 V133 L146 A215 T216 L218 A249 L251 | V115-F131 HydrophobicContact CB-CD1 4.43Å; V115-F131 HydrophobicContact CB-CE1 3.79Å; V115-F131 HydrophobicContact CB-CZ 4.12Å; V115-F131 HydrophobicContact CG2-CE1 4.3Å; V115-F131 HydrophobicContact CG2-CZ 4.25Å; L129-F131 HydrophobicContact CB-CD2 4.4Å; L129-F131 HydrophobicContact CB-CE2 3.59Å; L129-F131 HydrophobicContact CB-CZ 4.14Å; L129-F131 HydrophobicContact CD1-CE2 4.36Å; L129-F131 HydrophobicContact CD1-CZ 4.42Å; F131-V133 HydrophobicContact CB-CG2 3.87Å; F131-L146 HydrophobicContact CE2-CD1 3.92Å; F131-L146 HydrophobicContact CZ-CD1 3.59Å; F131-A215 WeakPolarHBondContact O-CA 3.5Å; F131-T216 PolarHBondContact N-O 3.16Å; F131-T216 PolarHBondContact O-N 3.07Å; F131-L218 HydrophobicContact CD2-CD1 4.3Å; F131-L218 HydrophobicContact CE2-CD1 4.04Å; F131-A249 HydrophobicContact CZ-CB 4.49Å; F131-L251 HydrophobicContact CB-CD2 4.29Å; F131-L251 HydrophobicContact CD1-CB 3.75Å; F131-L251 HydrophobicContact CD1-CD2 4.48Å; F131-L251 HydrophobicContact CE1-CB 3.72Å; F131-L251 HydrophobicContact CG-CB 4.22Å; F131-L251 HydrophobicContact CG-CD2 4.18Å; F131-L251 HydrophobicContact CZ-CB 4.17Å |
| 132 | N | 88.5 | Confident | 84.7 | Confident | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 93.3 | 169.3 | -179.3 | 11.5 | 0 | 0 | 0 | 108.8 | F113 Q116 | F113-N132 VanDerWaalsContact CD1-O 3.23Å; F113-N132 WeakPolarHBondContact CD1-O 3.48Å; Q116-N132 VanDerWaalsContact CD-CB 3.49Å; Q116-N132 HydrophobicContact CG-CB 4.38Å |
| 133 | V | 89.2 | Confident | 86 | Confident | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | trans | -96.9 | 117.8 | -175.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | F113 F131 I135 I205 G214 L251 I253 | F113-V133 HydrophobicContact CE1-CG1 4.45Å; F113-V133 HydrophobicContact CZ-CG1 4.25Å; F131-V133 HydrophobicContact CB-CG2 3.87Å; V133-I135 HydrophobicContact CG1-CD1 4.45Å; V133-I135 HydrophobicContact CG1-CG1 3.97Å; V133-I205 HydrophobicContact CG1-CG2 4.21Å; V133-G214 PolarHBondContact N-O 3Å; V133-G214 VanDerWaalsContact N-O 3.08Å; V133-L251 HydrophobicContact CG2-CD2 3.59Å; V133-I253 HydrophobicContact CG1-CD1 3.48Å; V133-I253 VanDerWaalsContact CG1-CD1 3.48Å; V133-I253 HydrophobicContact CG2-CD1 4.4Å | ||
| 134 | S | 87.5 | Confident | 87.5 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | trans | -127.3 | 107.8 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 110 | R398 | S134-R398 PolarHBondContact O-NH1 2.99Å; S134-R398 PolarHBondContact O-NH2 3.15Å; S134-R398 PolarHBondContact OG-NH1 3.18Å | ||
| 135 | I | 88.1 | Confident | 89.1 | Confident | 24 Ų | 24 | 43 Ų | 43 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | trans | -111.3 | 131.1 | 178 | -57.1 | -63.7 | 0 | 0 | 0 | 108.1 | F113 V133 E139 I141 I253 | F113-I135 HydrophobicContact CE2-CD1 4.02Å; F113-I135 HydrophobicContact CZ-CD1 3.83Å; V133-I135 HydrophobicContact CG1-CD1 4.45Å; V133-I135 HydrophobicContact CG1-CG1 3.97Å; I135-E139 HydrophobicContact CG2-CB 4.02Å; I135-I141 HydrophobicContact CG1-CD1 4.02Å; I135-I141 HydrophobicContact CG1-CG1 4.33Å; I135-I141 HydrophobicContact CG2-CG1 4.2Å; I135-I253 HydrophobicContact CD1-CB 4.46Å; I135-I253 HydrophobicContact CD1-CD1 4.1Å; I135-I253 HydrophobicContact CD1-CG2 4Å; I135-I253 HydrophobicContact CG1-CD1 4.46Å | ||
| 136 | P | 86.6 | Confident | 90 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | trans | -61.3 | 145.5 | 178.5 | -23.9 | 35 | 0 | 0 | 0 | 112.9 | H138 E139 | P136-H138 WeakPolarHBondContact CB-CE1 3.39Å; P136-H138 PolarHBondContact O-N 2.8Å; P136-H138 VanDerWaalsContact O-N 3.11Å; P136-E139 HydrophobicContact CB-CG 4.32Å; P136-E139 WeakPolarHBondContact CG-OE1 3.18Å; P136-E139 PolarHBondContact O-N 3.21Å | ||
| 137 | S | 83.9 | Confident | 90.3 | Very high | 132 Ų | 132 | 37.8 Ų | 37.8 | 92% | 0.923 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.4 | -173.5 | 57.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 138 | H | 83.4 | Confident | 90.6 | Very high | 51 Ų | 51 | 37 Ų | 37 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.3 | 177.2 | 55.2 | -79.6 | 0 | 0 | 0 | 112.6 | N73 P136 D257 | N73-H138 PolarHBondContact ND2-CE1 2.86Å; N73-H138 PolarHBondContact ND2-NE2 2.85Å; P136-H138 WeakPolarHBondContact CB-CE1 3.39Å; P136-H138 PolarHBondContact O-N 2.8Å; P136-H138 VanDerWaalsContact O-N 3.11Å; H138-D257 IonicContact CD2-OD1 3.41Å; H138-D257 PolarHBondContact CD2-OD1 3.43Å; H138-D257 IonicContact CD2-OD2 2.91Å |
| 139 | E | 88 | Confident | 90.7 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | trans | -98.2 | 144 | 178.7 | -64.6 | -175.2 | -145.9 | 0 | 0 | 111.3 | R111 I135 P136 S255 D256 D257 | R111-E139 IonicContact CZ-OE1 3.41Å; R111-E139 IonicContact CZ-OE2 3.11Å; R111-E139 VanDerWaalsContact NH1-CD 3.33Å; R111-E139 IonicContact NH1-OE1 2.71Å; R111-E139 PolarHBondContact NH1-OE1 3.14Å; R111-E139 IonicContact NH1-OE2 3.94Å; R111-E139 PolarHBondContact NH1-OE2 3.11Å; R111-E139 IonicContact NH2-OE1 2.63Å; R111-E139 PolarHBondContact NH2-OE1 3.38Å; R111-E139 IonicContact NH2-OE2 3.17Å; I135-E139 HydrophobicContact CG2-CB 4.02Å; P136-E139 HydrophobicContact CB-CG 4.32Å; P136-E139 WeakPolarHBondContact CG-OE1 3.18Å; P136-E139 PolarHBondContact O-N 3.21Å; E139-S255 WeakPolarHBondContact OE2-CB 3.39Å; E139-S255 PolarHBondContact OE2-OG 2.84Å; E139-D256 WeakPolarHBondContact CA-O 3.48Å; E139-D257 HydrophobicContact CG-CB 4.24Å | ||
| 140 | Q | 89.1 | Confident | 90.6 | Very high | 108 Ų | 108 | 38.2 Ų | 38.2 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.5 | 174.8 | -175.9 | 173 | 2.4 | 0 | 0 | 110.5 | I142 S255 D256 F258 | Q140-I142 PolarHBondContact O-N 3.46Å; Q140-S255 CarbonylContact O-C 3.57Å; Q140-S255 WeakPolarHBondContact O-CA 3.28Å; Q140-S255 WeakPolarHBondContact O-CB 3.15Å; Q140-D256 PolarHBondContact N-O 3.06Å; Q140-D256 PolarHBondContact O-N 2.87Å; Q140-F258 HydrophobicContact CB-CD2 3.82Å; Q140-F258 HydrophobicContact CB-CE2 3.76Å; Q140-F258 HydrophobicContact CG-CE2 4.21Å |
| 141 | I | 91.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 118.7 | 177.3 | -56.7 | 176.5 | 0 | 0 | 0 | 109.8 | I135 I205 R206 T209 I253 | I135-I141 HydrophobicContact CG1-CD1 4.02Å; I135-I141 HydrophobicContact CG1-CG1 4.33Å; I135-I141 HydrophobicContact CG2-CG1 4.2Å; I141-I205 HydrophobicContact CD1-CG2 3.86Å; I141-R206 PolarHBondContact O-NH2 3.25Å; I141-T209 HydrophobicContact CD1-CG2 4.47Å; I141-I253 HydrophobicContact CG1-CG2 4.35Å; I141-I253 HydrophobicContact CG2-CG2 3.98Å |
| 142 | I | 92.3 | Very high | 90.4 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -59.6 | 176.6 | -62.3 | 175.4 | 0 | 0 | 0 | 109.1 | Q106 F107 Q140 T202 R206 F254 D256 | Q106-I142 WeakPolarHBondContact O-CD1 3.17Å; F107-I142 HydrophobicContact CB-CD1 3.67Å; Q140-I142 PolarHBondContact O-N 3.46Å; I142-T202 VanDerWaalsContact O-CG2 3.32Å; I142-T202 WeakPolarHBondContact O-CG2 3.5Å; I142-R206 PolarHBondContact O-NH2 2.94Å; I142-R206 VanDerWaalsContact O-NH2 3.17Å; I142-F254 PolarHBondContact N-O 2.94Å; I142-D256 HydrophobicContact CD1-CB 3.55Å; I142-D256 HydrophobicContact CG1-CB 4.18Å |
| 143 | T | 94.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 38.1 Ų | 38.1 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.7 | 179.2 | 60.3 | 0 | 0 | 0 | 0 | 111 | T202 F254 | T143-T202 WeakPolarHBondContact CA-OG1 3.31Å; T143-F254 PolarHBondContact N-O 3.36Å; T143-F254 PolarHBondContact O-N 3.17Å; T143-F254 WeakPolarHBondContact OG1-CB 3.11Å; T143-F254 WeakPolarHBondContact OG1-CD2 3.46Å; T143-F254 WeakPolarHBondContact OG1-CG 3.34Å |
| 144 | A | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 127.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | V201 T202 I205 L251 I252 I253 | A144-V201 HydrophobicContact CB-CG2 4.2Å; A144-V201 WeakPolarHBondContact O-CG2 3.48Å; A144-V201 PolarHBondContact O-N 2.85Å; A144-T202 PolarHBondContact N-OG1 2.88Å; A144-T202 PolarHBondContact O-N 2.79Å; A144-T202 PolarHBondContact O-OG1 2.87Å; A144-I205 HydrophobicContact CB-CB 4Å; A144-I205 HydrophobicContact CB-CG1 3.64Å; A144-I205 HydrophobicContact CB-CG2 4.37Å; A144-L251 HydrophobicContact CB-CD1 4.44Å; A144-I252 CarbonylContact C-O 3.51Å; A144-I252 WeakPolarHBondContact CA-O 3.45Å; A144-I253 HydrophobicContact CB-CG1 4.12Å |
| 145 | E | 95.3 | Very high | 87.5 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.8 | -172.8 | -71.7 | 178.3 | -175.8 | 0 | 0 | 109.6 | T198 F199 I252 F254 | E145-T198 HydrophobicContact CB-CG2 3.69Å; E145-T198 HydrophobicContact CG-CG2 4.02Å; E145-F199 CarbonylContact C-O 3.54Å; E145-F199 WeakPolarHBondContact CA-O 3.46Å; E145-I252 PolarHBondContact N-O 3.33Å; E145-I252 PolarHBondContact O-N 2.85Å; E145-F254 HydrophobicContact CG-CE2 4.49Å |
| 146 | L | 95.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121 | 173.5 | 175 | 67.6 | 0 | 0 | 0 | 109.2 | L129 F131 L148 V169 T198 F199 V201 L218 V220 | L129-L146 HydrophobicContact CD1-CD1 4.15Å; L129-L146 HydrophobicContact CD1-CD2 4.18Å; F131-L146 HydrophobicContact CE2-CD1 3.92Å; F131-L146 HydrophobicContact CZ-CD1 3.59Å; L146-L148 HydrophobicContact CD1-CD2 4.09Å; L146-L148 HydrophobicContact CD2-CD1 4.1Å; L146-L148 HydrophobicContact CD2-CD2 4.11Å; L146-L148 HydrophobicContact CD2-CG 4.14Å; L146-L148 HydrophobicContact CG-CD2 4Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L146-V169 HydrophobicContact CD2-CG1 4.06Å; L146-V169 HydrophobicContact CD2-CG2 4.38Å; L146-T198 CarbonylContact O-C 3.43Å; L146-T198 WeakPolarHBondContact O-CA 3.34Å; L146-F199 HydrophobicContact CB-CB 4.38Å; L146-F199 PolarHBondContact N-O 3.41Å; L146-F199 PolarHBondContact O-N 3.29Å; L146-V201 HydrophobicContact CB-CG1 3.93Å; L146-V201 HydrophobicContact CB-CG2 4.02Å; L146-V201 HydrophobicContact CD2-CG1 4.48Å; L146-L218 HydrophobicContact CD1-CD1 4.32Å; L146-L218 HydrophobicContact CD2-CD1 4.13Å; L146-V220 HydrophobicContact CD2-CG2 4.2Å |
| 147 | Q | 94.1 | Very high | 84.4 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.9 | 175.4 | -66.2 | -167.5 | -10.4 | 0 | 0 | 111.2 | F89 W196 T198 A249 A250 I252 | F89-Q147 VanDerWaalsContact CE2-NE2 3.27Å; Q147-W196 HydrophobicContact CB-CE3 4.09Å; Q147-W196 HydrophobicContact CB-CZ3 4.22Å; Q147-T198 HydrophobicContact CG-CG2 4.32Å; Q147-A249 WeakPolarHBondContact O-CA 3.37Å; Q147-A250 PolarHBondContact N-O 3.5Å; Q147-A250 PolarHBondContact O-N 2.66Å; Q147-A250 VanDerWaalsContact O-N 3.13Å; Q147-I252 HydrophobicContact CG-CG1 4.32Å |
| 148 | L | 94.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.6 | -179.5 | -59.9 | 179 | 0 | 0 | 0 | 110.3 | L129 L146 F150 W196 A197 F199 V220 M239 A249 | L129-L148 HydrophobicContact CD1-CD2 3.63Å; L146-L148 HydrophobicContact CD1-CD2 4.09Å; L146-L148 HydrophobicContact CD2-CD1 4.1Å; L146-L148 HydrophobicContact CD2-CD2 4.11Å; L146-L148 HydrophobicContact CD2-CG 4.14Å; L146-L148 HydrophobicContact CG-CD2 4Å; L146-L148 HydrophobicContact CG-CG 4.04Å; L148-F150 HydrophobicContact CB-CD2 4.42Å; L148-F150 HydrophobicContact CB-CE2 3.56Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.2Å; L148-W196 VanDerWaalsContact C-CE3 3.49Å; L148-W196 WeakPolarHBondContact O-CA 3.2Å; L148-A197 PolarHBondContact N-O 2.93Å; L148-A197 PolarHBondContact O-N 3.25Å; L148-F199 HydrophobicContact CB-CE2 4.31Å; L148-F199 HydrophobicContact CD1-CD2 3.91Å; L148-F199 HydrophobicContact CD1-CE2 3.72Å; L148-F199 HydrophobicContact CG-CD2 4.26Å; L148-F199 HydrophobicContact CG-CE2 4.21Å; L148-V220 HydrophobicContact CD1-CG1 3.84Å; L148-V220 HydrophobicContact CD1-CG2 4.05Å; L148-M239 HydrophobicContact CB-CG 4.45Å; L148-M239 HydrophobicContact CD1-SD 3.87Å; L148-M239 HydrophobicContact CD2-SD 4.11Å; L148-M239 HydrophobicContact CG-SD 4.43Å; L148-A249 HydrophobicContact CD2-CB 3.66Å |
| 149 | F | 92.8 | Very high | 82 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 18% | 0.18 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130.1 | 176 | -173.1 | -109.2 | 0 | 0 | 0 | 110.6 | F151 W196 S240 | F149-F151 HydrophobicContact CD1-CD1 4.37Å; F149-F151 HydrophobicContact CE1-CB 4.3Å; F149-F151 HydrophobicContact CE1-CD1 4.48Å; F149-W196 HydrophobicContact CB-CD2 4.21Å; F149-W196 HydrophobicContact CB-CE3 3.99Å; F149-W196 HydrophobicContact CB-CH2 3.84Å; F149-W196 HydrophobicContact CB-CZ2 4.05Å; F149-W196 HydrophobicContact CB-CZ3 3.81Å; F149-W196 AromaticContact CD2-CD2 3.89Å; F149-W196 HydrophobicContact CD2-CD2 3.89Å; F149-W196 AromaticContact CD2-CE2 3.52Å; F149-W196 HydrophobicContact CD2-CG 4.19Å; F149-W196 AromaticContact CD2-CZ2 3.87Å; F149-W196 HydrophobicContact CD2-CZ2 3.87Å; F149-W196 AromaticContact CD2-NE1 3.59Å; F149-W196 AromaticContact CE2-NE1 3.96Å; F149-W196 HydrophobicContact CG-CZ2 4.26Å; F149-S240 PolarHBondContact O-N 3.47Å |
| 150 | F | 91.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.9 | 177.8 | -65.6 | -88.6 | 0 | 0 | 0 | 110.7 | L148 V167 V189 S194 T195 A197 F199 V222 L237 N238 M239 | L148-F150 HydrophobicContact CB-CD2 4.42Å; L148-F150 HydrophobicContact CB-CE2 3.56Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.2Å; F150-V167 HydrophobicContact CE1-CG2 3.61Å; F150-V167 HydrophobicContact CZ-CB 4.4Å; F150-V167 HydrophobicContact CZ-CG1 4.07Å; F150-V167 HydrophobicContact CZ-CG2 3.58Å; F150-V189 HydrophobicContact CD2-CG1 4.39Å; F150-V189 HydrophobicContact CE2-CG2 4.38Å; F150-V189 HydrophobicContact CG-CG1 4.49Å; F150-S194 CarbonylContact O-C 3.42Å; F150-S194 WeakPolarHBondContact O-CA 3.22Å; F150-S194 WeakPolarHBondContact O-CB 3.47Å; F150-T195 HydrophobicContact CB-CG2 4.31Å; F150-T195 PolarHBondContact N-O 3.17Å; F150-T195 PolarHBondContact O-N 2.82Å; F150-A197 HydrophobicContact CD2-CB 4.06Å; F150-A197 HydrophobicContact CE2-CB 3.77Å; F150-F199 HydrophobicContact CE2-CE2 4.28Å; F150-F199 HydrophobicContact CZ-CE2 4.47Å; F150-V222 HydrophobicContact CE1-CG2 4.37Å; F150-L237 HydrophobicContact CB-CB 4.41Å; F150-L237 HydrophobicContact CB-CD1 4.36Å; F150-L237 HydrophobicContact CB-CD2 4.5Å; F150-L237 HydrophobicContact CD1-CB 4.45Å; F150-N238 CarbonylContact C-O 3.5Å; F150-N238 WeakPolarHBondContact CA-O 3.37Å; F150-M239 HydrophobicContact CD1-CB 4.1Å; F150-M239 HydrophobicContact CE1-CB 3.75Å; F150-M239 HydrophobicContact CE1-CG 4Å; F150-M239 HydrophobicContact CZ-CB 4.42Å; F150-M239 HydrophobicContact CZ-CG 4.18Å |
| 151 | F | 89.7 | Confident | 79.7 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152.2 | 177.9 | 61.2 | -85.9 | 0 | 0 | 0 | 111.4 | F149 N238 | F149-F151 HydrophobicContact CD1-CD1 4.37Å; F149-F151 HydrophobicContact CE1-CB 4.3Å; F149-F151 HydrophobicContact CE1-CD1 4.48Å; F151-N238 HydrophobicContact CD1-CB 4.39Å; F151-N238 WeakPolarHBondContact CD1-O 3.42Å; F151-N238 HydrophobicContact CD2-CB 4.12Å; F151-N238 HydrophobicContact CE1-CB 3.93Å; F151-N238 HydrophobicContact CE2-CB 3.65Å; F151-N238 HydrophobicContact CG-CB 4.47Å; F151-N238 HydrophobicContact CZ-CB 3.54Å; F151-N238 PolarHBondContact N-O 3.45Å; F151-N238 PolarHBondContact O-N 3.1Å |
| 152 | P | 87 | Confident | 78.8 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 138.9 | 178.4 | -26.5 | 36.4 | 0 | 0 | 0 | 113.7 | T154 F163 | P152-T154 PolarHBondContact O-N 3.49Å; P152-F163 HydrophobicContact CB-CD1 3.85Å; P152-F163 HydrophobicContact CB-CD2 3.9Å; P152-F163 HydrophobicContact CB-CE1 3.75Å; P152-F163 HydrophobicContact CB-CE2 3.77Å; P152-F163 HydrophobicContact CB-CG 3.97Å; P152-F163 HydrophobicContact CB-CZ 3.72Å; P152-F163 HydrophobicContact CG-CD2 3.83Å; P152-F163 HydrophobicContact CG-CE2 3.87Å; P152-F163 HydrophobicContact CG-CG 4.25Å; P152-F163 HydrophobicContact CG-CZ 4.33Å |
| 153 | D | 78.1 | Confident | 78.3 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | trans | -75.5 | 110.5 | 172.8 | -165.5 | 14.2 | 0 | 0 | 0 | 111.2 | G155 S156 C236 N238 | D153-G155 PolarHBondContact O-N 3.28Å; D153-S156 PolarHBondContact O-OG 2.99Å; D153-C236 HydrophobicContact CB-CB 4.15Å; D153-C236 WeakPolarHBondContact CB-O 3.48Å; D153-C236 PolarHBondContact N-O 3.08Å; D153-N238 WeakPolarHBondContact CB-ND2 3.29Å; D153-N238 VanDerWaalsContact CG-ND2 3.27Å; D153-N238 PolarHBondContact OD1-ND2 3.02Å | ||
| 154 | T | 66.1 | Low | 77.9 | Confident | 139 Ų | 139 | 60 Ų | 60 | 85% | 0.853 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.2 | -176.4 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | P152 S156 | P152-T154 PolarHBondContact O-N 3.49Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact O-N 3.43Å |
| 155 | G | 59.5 | Low | 77.5 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 69% | 0.691 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D153 | D153-G155 PolarHBondContact O-N 3.28Š|
| 156 | S | 55.7 | Low | 77.2 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | trans | -95.9 | 121.2 | -179.3 | 74.4 | 0 | 0 | 0 | 0 | 110.2 | D153 T154 V158 | D153-S156 PolarHBondContact O-OG 2.99Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact O-N 3.43Å; S156-V158 PolarHBondContact O-N 3.41Å | ||
| 157 | N | 54.3 | Low | 77.1 | Confident | 176 Ų | 176 | 57.9 Ų | 57.9 | 94% | 0.941 | 33% | 0.333 | S | S | * | . | trans | -70.1 | 33.9 | 174.4 | -79 | -16.6 | 0 | 0 | 0 | 112.2 | ||||
| 158 | V | 58.5 | Low | 77 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | trans | -106.9 | 120.7 | -171 | -160 | 0 | 0 | 0 | 0 | 108.4 | S156 S160 | S156-V158 PolarHBondContact O-N 3.41Å; V158-S160 WeakPolarHBondContact CB-OG 3.4Å; V158-S160 WeakPolarHBondContact CG1-OG 3.49Å; V158-S160 PolarHBondContact O-N 2.91Å | ||
| 159 | T | 57.9 | Low | 77 | Confident | 147 Ų | 147 | 61.4 Ų | 61.4 | 90% | 0.902 | 35% | 0.348 | S | S | * | . | trans | -74.5 | 50.1 | 167.8 | 47 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 160 | S | 61.7 | Low | 76.9 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | trans | -73.3 | 127.7 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | V158 S162 G233 A234 G235 | V158-S160 WeakPolarHBondContact CB-OG 3.4Å; V158-S160 WeakPolarHBondContact CG1-OG 3.49Å; V158-S160 PolarHBondContact O-N 2.91Å; S160-S162 VanDerWaalsContact C-N 3.28Å; S160-G233 VanDerWaalsContact CB-O 3.3Å; S160-G233 WeakPolarHBondContact CB-O 3.23Å; S160-G233 PolarHBondContact OG-O 2.9Å; S160-A234 VanDerWaalsContact OG-C 3.28Å; S160-G235 PolarHBondContact OG-N 2.72Å | ||
| 161 | Q | 67.1 | Low | 76.7 | Confident | 182 Ų | 182 | 63.7 Ų | 63.7 | 85% | 0.85 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -79.9 | -12.1 | 170.5 | -67.9 | -179.3 | -4.9 | 0 | 0 | 112.4 | S192 | Q161-S192 WeakPolarHBondContact O-CA 3.32Å; Q161-S192 WeakPolarHBondContact O-CB 3.21Å |
| 162 | S | 74.6 | Confident | 76.3 | Confident | 50 Ų | 50 | 61 Ų | 61 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -141.7 | 132.1 | 176.1 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | S160 | S160-S162 VanDerWaalsContact C-N 3.28Š| ||
| 163 | F | 81.7 | Confident | 75.6 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 10% | 0.096 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 144.6 | 173.4 | -57.4 | -95.7 | 0 | 0 | 0 | 109.6 | P152 S190 A191 G235 L237 | P152-F163 HydrophobicContact CB-CD1 3.85Å; P152-F163 HydrophobicContact CB-CD2 3.9Å; P152-F163 HydrophobicContact CB-CE1 3.75Å; P152-F163 HydrophobicContact CB-CE2 3.77Å; P152-F163 HydrophobicContact CB-CG 3.97Å; P152-F163 HydrophobicContact CB-CZ 3.72Å; P152-F163 HydrophobicContact CG-CD2 3.83Å; P152-F163 HydrophobicContact CG-CE2 3.87Å; P152-F163 HydrophobicContact CG-CG 4.25Å; P152-F163 HydrophobicContact CG-CZ 4.33Å; F163-S190 CarbonylContact O-C 3.54Å; F163-S190 VanDerWaalsContact O-CA 3.29Å; F163-S190 WeakPolarHBondContact O-CA 3.29Å; F163-A191 WeakPolarHBondContact CA-O 3.4Å; F163-A191 WeakPolarHBondContact CB-O 3.31Å; F163-A191 WeakPolarHBondContact CD2-O 3.4Å; F163-A191 PolarHBondContact N-O 3.37Å; F163-A191 PolarHBondContact O-N 2.85Å; F163-G235 CarbonylContact C-O 3.52Å; F163-G235 WeakPolarHBondContact CA-O 3.27Å; F163-G235 VanDerWaalsContact CD1-C 3.43Å; F163-G235 VanDerWaalsContact CD1-CA 3.42Å; F163-L237 HydrophobicContact CB-CD1 4.45Å; F163-L237 HydrophobicContact CB-CD2 3.57Å; F163-L237 HydrophobicContact CB-CG 3.6Å; F163-L237 HydrophobicContact CG-CD2 4.36Å |
| 164 | K | 85 | Confident | 74.8 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 156 | -179 | -57.6 | -169.4 | 176.6 | 177.4 | 0 | 111.8 | V189 S190 C227 G235 L237 | K164-V189 CarbonylContact C-O 3.55Å; K164-V189 VanDerWaalsContact CA-O 3.27Å; K164-V189 WeakPolarHBondContact CA-O 3.35Å; K164-S190 WeakPolarHBondContact CG-OG 3.38Å; K164-C227 PolarHBondContact O-SG 3.27Å; K164-G235 PolarHBondContact N-O 3.4Å; K164-L237 PolarHBondContact O-N 3.09Å; K164-L237 VanDerWaalsContact O-N 3.13Å |
| 165 | A | 86.8 | Confident | 74.5 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 137.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V167 V189 V222 L237 | A165-V167 HydrophobicContact CB-CG2 4.38Å; A165-V189 PolarHBondContact N-O 3.35Å; A165-V189 PolarHBondContact O-N 2.8Å; A165-V222 HydrophobicContact CB-CG1 3.9Å; A165-L237 HydrophobicContact CB-CB 3.89Å |
| 166 | A | 89.7 | Confident | 74.4 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | D188 D223 | A166-D188 VanDerWaalsContact CB-OD1 3.23Å; A166-D188 WeakPolarHBondContact CB-OD1 3.12Å; A166-D223 HydrophobicContact CB-CB 4.17Å; A166-D223 PolarHBondContact N-O 2.97Å; A166-D223 WeakPolarHBondContact O-CB 3.5Å; A166-D223 PolarHBondContact O-N 3.34Å |
| 167 | V | 92.1 | Very high | 74.2 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133 | -173.8 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | F150 A165 S186 E187 V189 F199 V220 A221 | F150-V167 HydrophobicContact CE1-CG2 3.61Å; F150-V167 HydrophobicContact CZ-CB 4.4Å; F150-V167 HydrophobicContact CZ-CG1 4.07Å; F150-V167 HydrophobicContact CZ-CG2 3.58Å; A165-V167 HydrophobicContact CB-CG2 4.38Å; V167-S186 CarbonylContact O-C 3.57Å; V167-S186 WeakPolarHBondContact O-CA 3.15Å; V167-E187 PolarHBondContact N-O 3.49Å; V167-E187 PolarHBondContact O-N 2.79Å; V167-V189 HydrophobicContact CG2-CG2 3.94Å; V167-F199 HydrophobicContact CB-CE1 3.92Å; V167-F199 HydrophobicContact CB-CZ 3.67Å; V167-F199 HydrophobicContact CG1-CE1 3.83Å; V167-F199 HydrophobicContact CG1-CE2 4.17Å; V167-F199 HydrophobicContact CG1-CZ 3.47Å; V167-F199 VanDerWaalsContact CG1-CZ 3.47Å; V167-F199 HydrophobicContact CG2-CZ 4.34Å; V167-V220 HydrophobicContact CG1-CG1 3.77Å; V167-A221 WeakPolarHBondContact CA-O 3.45Å |
| 168 | K | 92.3 | Very high | 74.2 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.4 | 177.7 | -61.8 | 177.8 | -175.6 | 165.4 | 0 | 109.7 | Y170 A221 | K168-Y170 HydrophobicContact CB-CE2 3.56Å; K168-Y170 WeakPolarHBondContact CD-OH 3.33Å; K168-A221 PolarHBondContact N-O 3Å; K168-A221 PolarHBondContact O-N 3.48Å |
| 169 | V | 93.8 | Very high | 73.8 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.4 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | L146 L184 D185 F199 V201 D219 V220 | L146-V169 HydrophobicContact CD2-CG1 4.06Å; L146-V169 HydrophobicContact CD2-CG2 4.38Å; V169-L184 HydrophobicContact CG1-CD1 4.34Å; V169-L184 PolarHBondContact O-N 3.39Å; V169-D185 PolarHBondContact N-O 2.8Å; V169-D185 PolarHBondContact O-N 3.34Å; V169-F199 HydrophobicContact CG2-CB 3.84Å; V169-F199 HydrophobicContact CG2-CD1 3.65Å; V169-F199 HydrophobicContact CG2-CD2 4.16Å; V169-F199 HydrophobicContact CG2-CE1 4.25Å; V169-F199 HydrophobicContact CG2-CG 3.6Å; V169-V201 HydrophobicContact CG1-CG1 3.86Å; V169-D219 CarbonylContact C-O 3.56Å; V169-V220 HydrophobicContact CG2-CG2 4.42Å |
| 170 | Y | 90.6 | Very high | 73.8 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149.3 | -177.1 | -53.7 | -96.8 | 0 | 0 | 0 | 111 | K168 A172 R182 P183 D219 A221 | K168-Y170 HydrophobicContact CB-CE2 3.56Å; K168-Y170 WeakPolarHBondContact CD-OH 3.33Å; Y170-A172 PolarHBondContact O-N 3.46Å; Y170-R182 CarbonylContact C-O 3.56Å; Y170-R182 VanDerWaalsContact CA-O 3.23Å; Y170-R182 WeakPolarHBondContact CA-O 3.29Å; Y170-P183 HydrophobicContact CD1-CB 3.97Å; Y170-P183 HydrophobicContact CE1-CB 3.98Å; Y170-D219 PolarHBondContact N-O 2.87Å; Y170-D219 PolarHBondContact O-N 3.46Å; Y170-A221 HydrophobicContact CE2-CB 3.93Å |
| 171 | E | 88.8 | Confident | 74.5 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.4 | 166.8 | -172 | 175.9 | -162 | 0 | 0 | 108.6 | N173 S181 R182 L184 A204 | E171-N173 PolarHBondContact O-N 2.82Å; E171-S181 WeakPolarHBondContact O-CA 3.47Å; E171-R182 HydrophobicContact CB-CB 4.24Å; E171-R182 PolarHBondContact N-O 2.86Å; E171-L184 HydrophobicContact CB-CD1 4.14Å; E171-L184 HydrophobicContact CB-CD2 4.23Å; E171-L184 HydrophobicContact CB-CG 4.24Å; E171-A204 HydrophobicContact CB-CB 4.22Å; E171-A204 HydrophobicContact CG-CB 3.95Å |
| 172 | A | 80.9 | Confident | 75.3 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 123 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y170 A217 | Y170-A172 PolarHBondContact O-N 3.46Å; A172-A217 HydrophobicContact CB-CB 3.66Å; A172-A217 VanDerWaalsContact CB-O 3.25Å; A172-A217 WeakPolarHBondContact CB-O 3.07Å; A172-A217 PolarHBondContact N-O 3.43Å |
| 173 | N | 72.1 | Confident | 75.9 | Confident | 76 Ų | 76 | 61 Ų | 61 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 150.3 | 167.1 | -159.2 | 8.6 | 0 | 0 | 0 | 109.2 | E171 D175 S180 | E171-N173 PolarHBondContact O-N 2.82Å; N173-D175 PolarHBondContact O-N 3.01Å; N173-D175 VanDerWaalsContact O-O 3.1Å; N173-S180 PolarHBondContact ND2-OG 3.11Å |
| 174 | G | 62.5 | Low | 76.4 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -59 | -8.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 175 | D | 58.9 | Low | 76.8 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -92 | 144.3 | 176 | -63.6 | -32.3 | 0 | 0 | 0 | 111.5 | R128 N173 S177 | R128-D175 PolarHBondContact NH1-O 2.97Å; R128-D175 PolarHBondContact NH2-O 2.99Å; N173-D175 PolarHBondContact O-N 3.01Å; N173-D175 VanDerWaalsContact O-O 3.1Å; D175-S177 WeakPolarHBondContact CB-OG 3.23Å; D175-S177 PolarHBondContact O-N 2.85Å |
| 176 | N | 57.6 | Low | 77.1 | Confident | 127 Ų | 127 | 63.3 Ų | 63.3 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -68.8 | 3.6 | 172.9 | -77.7 | -11.8 | 0 | 0 | 0 | 113.4 | R128 | R128-N176 PolarHBondContact NH1-OD1 2.95Š|
| 177 | S | 51.7 | Low | 77.2 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | trans | -92.2 | 125.9 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 112 | D175 S179 | D175-S177 WeakPolarHBondContact CB-OG 3.23Å; D175-S177 PolarHBondContact O-N 2.85Å; S177-S179 PolarHBondContact O-N 3.49Å | ||
| 178 | T | 53.2 | Low | 77.1 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 45% | 0.454 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 3.6 | -177.5 | 48.1 | 0 | 0 | 0 | 0 | 115.6 | I121 | I121-T178 HydrophobicContact CG2-CG2 4.3Š|
| 179 | S | 51.6 | Low | 77 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 74% | 0.741 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.6 | -166.7 | 48.1 | 0 | 0 | 0 | 0 | 115.3 | S177 | S177-S179 PolarHBondContact O-N 3.49Š|
| 180 | S | 57.8 | Low | 76.7 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -135.7 | 24.4 | -179.4 | 99.6 | 0 | 0 | 0 | 0 | 115.3 | N173 R182 | N173-S180 PolarHBondContact ND2-OG 3.11Å; S180-R182 PolarHBondContact O-N 3.3Å |
| 181 | S | 74.9 | Confident | 76.4 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 122.9 | 177.2 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | E171 | E171-S181 WeakPolarHBondContact O-CA 3.47Š|
| 182 | R | 83.9 | Confident | 76.1 | Confident | 153 Ų | 153 | 72.9 Ų | 72.9 | 58% | 0.577 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.1 | 179.4 | 178 | -176.6 | 175 | 178.2 | -0.7 | 109.7 | Y170 E171 S180 | Y170-R182 CarbonylContact C-O 3.56Å; Y170-R182 VanDerWaalsContact CA-O 3.23Å; Y170-R182 WeakPolarHBondContact CA-O 3.29Å; E171-R182 HydrophobicContact CB-CB 4.24Å; E171-R182 PolarHBondContact N-O 2.86Å; S180-R182 PolarHBondContact O-N 3.3Å |
| 183 | P | 88.8 | Confident | 76.4 | Confident | 94 Ų | 94 | 78.8 Ų | 78.8 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.2 | 176.8 | 28.5 | -34 | 0 | 0 | 0 | 110.9 | Y170 | Y170-P183 HydrophobicContact CD1-CB 3.97Å; Y170-P183 HydrophobicContact CE1-CB 3.98Å |
| 184 | L | 91.6 | Very high | 77.2 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -58.2 | 178 | -63.6 | 173.1 | 0 | 0 | 0 | 110.7 | V169 E171 V201 A204 L218 | V169-L184 HydrophobicContact CG1-CD1 4.34Å; V169-L184 PolarHBondContact O-N 3.39Å; E171-L184 HydrophobicContact CB-CD1 4.14Å; E171-L184 HydrophobicContact CB-CD2 4.23Å; E171-L184 HydrophobicContact CB-CG 4.24Å; L184-V201 HydrophobicContact CD1-CB 4.28Å; L184-V201 HydrophobicContact CD1-CG1 4.05Å; L184-A204 HydrophobicContact CD1-CB 3.52Å; L184-A204 HydrophobicContact CD2-CB 3.82Å; L184-A204 HydrophobicContact CG-CB 4.31Å; L184-L218 HydrophobicContact CD1-CD2 3.76Å |
| 185 | D | 93.6 | Very high | 78.6 | Confident | 55 Ų | 55 | 77.6 Ų | 77.6 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 160.7 | -175.2 | -162.3 | 9.9 | 0 | 0 | 0 | 111.4 | V169 F199 D200 | V169-D185 PolarHBondContact N-O 2.8Å; V169-D185 PolarHBondContact O-N 3.34Å; D185-F199 HydrophobicContact CB-CB 4.33Å; D185-F199 HydrophobicContact CB-CD1 4.46Å; D185-F199 WeakPolarHBondContact OD2-CA 3.21Å; D185-D200 PolarHBondContact OD2-N 3.41Å |
| 186 | S | 93.1 | Very high | 80.2 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 135.8 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | V167 | V167-S186 CarbonylContact O-C 3.57Å; V167-S186 WeakPolarHBondContact O-CA 3.15Å |
| 187 | E | 92.1 | Very high | 81.9 | Confident | 87 Ų | 87 | 72 Ų | 72 | 41% | 0.407 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.6 | -179.3 | -166.1 | 178.8 | -177.3 | 0 | 0 | 111.1 | V167 F199 | V167-E187 PolarHBondContact N-O 3.49Å; V167-E187 PolarHBondContact O-N 2.79Å; E187-F199 HydrophobicContact CB-CD1 4.39Å; E187-F199 HydrophobicContact CB-CE1 3.64Å; E187-F199 HydrophobicContact CB-CZ 4.28Å |
| 188 | D | 89.9 | Confident | 84 | Confident | 126 Ų | 126 | 71.7 Ų | 71.7 | 67% | 0.674 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 99.6 | 171.3 | -71.8 | -28.9 | 0 | 0 | 0 | 109.7 | A166 | A166-D188 VanDerWaalsContact CB-OD1 3.23Å; A166-D188 WeakPolarHBondContact CB-OD1 3.12Å |
| 189 | V | 89.2 | Confident | 86 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.5 | -178.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | F150 K164 A165 V167 T195 A197 L237 | F150-V189 HydrophobicContact CD2-CG1 4.39Å; F150-V189 HydrophobicContact CE2-CG2 4.38Å; F150-V189 HydrophobicContact CG-CG1 4.49Å; K164-V189 CarbonylContact C-O 3.55Å; K164-V189 VanDerWaalsContact CA-O 3.27Å; K164-V189 WeakPolarHBondContact CA-O 3.35Å; A165-V189 PolarHBondContact N-O 3.35Å; A165-V189 PolarHBondContact O-N 2.8Å; V167-V189 HydrophobicContact CG2-CG2 3.94Å; V189-T195 HydrophobicContact CG1-CG2 3.75Å; V189-A197 HydrophobicContact CG1-CB 4.5Å; V189-A197 HydrophobicContact CG2-CB 3.76Å; V189-L237 HydrophobicContact CB-CD1 4.24Å; V189-L237 HydrophobicContact CG1-CD1 3.73Å |
| 190 | S | 87.4 | Confident | 88.1 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 119.3 | 176.2 | -63 | 0 | 0 | 0 | 0 | 110.7 | F163 K164 | F163-S190 CarbonylContact O-C 3.54Å; F163-S190 VanDerWaalsContact O-CA 3.29Å; F163-S190 WeakPolarHBondContact O-CA 3.29Å; K164-S190 WeakPolarHBondContact CG-OG 3.38Å |
| 191 | A | 84.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 149.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F163 Q193 T195 L237 | F163-A191 WeakPolarHBondContact CA-O 3.4Å; F163-A191 WeakPolarHBondContact CB-O 3.31Å; F163-A191 WeakPolarHBondContact CD2-O 3.4Å; F163-A191 PolarHBondContact N-O 3.37Å; F163-A191 PolarHBondContact O-N 2.85Å; A191-Q193 VanDerWaalsContact CB-O 3.25Å; A191-Q193 WeakPolarHBondContact CB-O 3.34Å; A191-T195 HydrophobicContact CB-CG2 3.59Å; A191-L237 HydrophobicContact CB-CD1 4.49Å |
| 192 | S | 83.6 | Confident | 90.8 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -84.1 | -20.6 | 173.7 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | Q161 | Q161-S192 WeakPolarHBondContact O-CA 3.32Å; Q161-S192 WeakPolarHBondContact O-CB 3.21Å |
| 193 | Q | 86.8 | Confident | 91.1 | Very high | 145 Ų | 145 | 58.7 Ų | 58.7 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -134.7 | -179.2 | -179.1 | -63.1 | -176.1 | 0.2 | 0 | 0 | 109.4 | A191 T195 | A191-Q193 VanDerWaalsContact CB-O 3.25Å; A191-Q193 WeakPolarHBondContact CB-O 3.34Å; Q193-T195 PolarHBondContact O-N 3.4Å |
| 194 | S | 88.7 | Confident | 91.2 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | trans | -60.9 | 136.5 | 173.2 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | F150 | F150-S194 CarbonylContact O-C 3.42Å; F150-S194 WeakPolarHBondContact O-CA 3.22Å; F150-S194 WeakPolarHBondContact O-CB 3.47Å | ||
| 195 | T | 91.4 | Very high | 91.2 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.8 | -175.9 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | F150 V189 A191 Q193 | F150-T195 HydrophobicContact CB-CG2 4.31Å; F150-T195 PolarHBondContact N-O 3.17Å; F150-T195 PolarHBondContact O-N 2.82Å; V189-T195 HydrophobicContact CG1-CG2 3.75Å; A191-T195 HydrophobicContact CB-CG2 3.59Å; Q193-T195 PolarHBondContact O-N 3.4Å |
| 196 | W | 92.2 | Very high | 91 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 144.9 | 165.3 | -70 | 93.4 | 0 | 0 | 0 | 109.9 | Q147 L148 F149 D246 | Q147-W196 HydrophobicContact CB-CE3 4.09Å; Q147-W196 HydrophobicContact CB-CZ3 4.22Å; L148-W196 VanDerWaalsContact C-CE3 3.49Å; L148-W196 WeakPolarHBondContact O-CA 3.2Å; F149-W196 HydrophobicContact CB-CD2 4.21Å; F149-W196 HydrophobicContact CB-CE3 3.99Å; F149-W196 HydrophobicContact CB-CH2 3.84Å; F149-W196 HydrophobicContact CB-CZ2 4.05Å; F149-W196 HydrophobicContact CB-CZ3 3.81Å; F149-W196 AromaticContact CD2-CD2 3.89Å; F149-W196 HydrophobicContact CD2-CD2 3.89Å; F149-W196 AromaticContact CD2-CE2 3.52Å; F149-W196 HydrophobicContact CD2-CG 4.19Å; F149-W196 AromaticContact CD2-CZ2 3.87Å; F149-W196 HydrophobicContact CD2-CZ2 3.87Å; F149-W196 AromaticContact CD2-NE1 3.59Å; F149-W196 AromaticContact CE2-NE1 3.96Å; F149-W196 HydrophobicContact CG-CZ2 4.26Å; W196-D246 WeakPolarHBondContact CZ2-O 3.49Å |
| 197 | A | 93.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L148 F150 V189 F199 | L148-A197 PolarHBondContact N-O 2.93Å; L148-A197 PolarHBondContact O-N 3.25Å; F150-A197 HydrophobicContact CD2-CB 4.06Å; F150-A197 HydrophobicContact CE2-CB 3.77Å; V189-A197 HydrophobicContact CG1-CB 4.5Å; V189-A197 HydrophobicContact CG2-CB 3.76Å; A197-F199 HydrophobicContact CB-CE2 3.82Å; A197-F199 HydrophobicContact CB-CZ 4.04Å |
| 198 | T | 94.9 | Very high | 90.2 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.1 | -171.7 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | E145 L146 Q147 | E145-T198 HydrophobicContact CB-CG2 3.69Å; E145-T198 HydrophobicContact CG-CG2 4.02Å; L146-T198 CarbonylContact O-C 3.43Å; L146-T198 WeakPolarHBondContact O-CA 3.34Å; Q147-T198 HydrophobicContact CG-CG2 4.32Å |
| 199 | F | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136 | -175.6 | -59.5 | -90.3 | 0 | 0 | 0 | 110.7 | E145 L146 L148 F150 V167 V169 D185 E187 A197 V201 | E145-F199 CarbonylContact C-O 3.54Å; E145-F199 WeakPolarHBondContact CA-O 3.46Å; L146-F199 HydrophobicContact CB-CB 4.38Å; L146-F199 PolarHBondContact N-O 3.41Å; L146-F199 PolarHBondContact O-N 3.29Å; L148-F199 HydrophobicContact CB-CE2 4.31Å; L148-F199 HydrophobicContact CD1-CD2 3.91Å; L148-F199 HydrophobicContact CD1-CE2 3.72Å; L148-F199 HydrophobicContact CG-CD2 4.26Å; L148-F199 HydrophobicContact CG-CE2 4.21Å; F150-F199 HydrophobicContact CE2-CE2 4.28Å; F150-F199 HydrophobicContact CZ-CE2 4.47Å; V167-F199 HydrophobicContact CB-CE1 3.92Å; V167-F199 HydrophobicContact CB-CZ 3.67Å; V167-F199 HydrophobicContact CG1-CE1 3.83Å; V167-F199 HydrophobicContact CG1-CE2 4.17Å; V167-F199 HydrophobicContact CG1-CZ 3.47Å; V167-F199 VanDerWaalsContact CG1-CZ 3.47Å; V167-F199 HydrophobicContact CG2-CZ 4.34Å; V169-F199 HydrophobicContact CG2-CB 3.84Å; V169-F199 HydrophobicContact CG2-CD1 3.65Å; V169-F199 HydrophobicContact CG2-CD2 4.16Å; V169-F199 HydrophobicContact CG2-CE1 4.25Å; V169-F199 HydrophobicContact CG2-CG 3.6Å; D185-F199 HydrophobicContact CB-CB 4.33Å; D185-F199 HydrophobicContact CB-CD1 4.46Å; D185-F199 WeakPolarHBondContact OD2-CA 3.21Å; E187-F199 HydrophobicContact CB-CD1 4.39Å; E187-F199 HydrophobicContact CB-CE1 3.64Å; E187-F199 HydrophobicContact CB-CZ 4.28Å; A197-F199 HydrophobicContact CB-CE2 3.82Å; A197-F199 HydrophobicContact CB-CZ 4.04Å; F199-V201 PolarHBondContact O-N 2.83Å |
| 200 | D | 95.5 | Very high | 89.5 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 116.8 | 176 | -172.7 | -11.9 | 0 | 0 | 0 | 110.3 | D185 T202 | D185-D200 PolarHBondContact OD2-N 3.41Å; D200-T202 WeakPolarHBondContact OD1-CB 3.46Å; D200-T202 PolarHBondContact OD1-N 2.94Å; D200-T202 PolarHBondContact OD1-OG1 2.81Å |
| 201 | V | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | trans | -121 | 15.1 | 178.1 | -64 | 0 | 0 | 0 | 0 | 112.1 | A144 L146 V169 L184 F199 A203 A204 I205 L218 L251 | A144-V201 HydrophobicContact CB-CG2 4.2Å; A144-V201 WeakPolarHBondContact O-CG2 3.48Å; A144-V201 PolarHBondContact O-N 2.85Å; L146-V201 HydrophobicContact CB-CG1 3.93Å; L146-V201 HydrophobicContact CB-CG2 4.02Å; L146-V201 HydrophobicContact CD2-CG1 4.48Å; V169-V201 HydrophobicContact CG1-CG1 3.86Å; L184-V201 HydrophobicContact CD1-CB 4.28Å; L184-V201 HydrophobicContact CD1-CG1 4.05Å; F199-V201 PolarHBondContact O-N 2.83Å; V201-A203 VanDerWaalsContact C-N 3.28Å; V201-A203 PolarHBondContact O-N 2.84Å; V201-A203 VanDerWaalsContact O-N 3.17Å; V201-A204 PolarHBondContact O-N 2.82Å; V201-A204 VanDerWaalsContact O-N 3.09Å; V201-I205 HydrophobicContact CG2-CD1 4.39Å; V201-I205 HydrophobicContact CG2-CG1 4Å; V201-I205 WeakPolarHBondContact O-CG1 3.28Å; V201-I205 PolarHBondContact O-N 2.88Å; V201-I205 VanDerWaalsContact O-N 3.12Å; V201-L218 HydrophobicContact CB-CD1 4.31Å; V201-L218 HydrophobicContact CB-CD2 4.45Å; V201-L218 HydrophobicContact CG1-CD1 4.12Å; V201-L218 HydrophobicContact CG1-CD2 4.36Å; V201-L218 HydrophobicContact CG2-CD1 4.27Å; V201-L251 HydrophobicContact CG2-CD1 3.5Å | ||
| 202 | T | 93.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -50.3 | -45.6 | -174.6 | -57 | 0 | 0 | 0 | 0 | 112.6 | I142 T143 A144 D200 A204 I205 R206 | I142-T202 VanDerWaalsContact O-CG2 3.32Å; I142-T202 WeakPolarHBondContact O-CG2 3.5Å; T143-T202 WeakPolarHBondContact CA-OG1 3.31Å; A144-T202 PolarHBondContact N-OG1 2.88Å; A144-T202 PolarHBondContact O-N 2.79Å; A144-T202 PolarHBondContact O-OG1 2.87Å; D200-T202 WeakPolarHBondContact OD1-CB 3.46Å; D200-T202 PolarHBondContact OD1-N 2.94Å; D200-T202 PolarHBondContact OD1-OG1 2.81Å; T202-A204 PolarHBondContact O-N 2.83Å; T202-I205 PolarHBondContact O-N 3.11Å; T202-R206 WeakPolarHBondContact O-CB 3.39Å; T202-R206 PolarHBondContact O-N 3.03Å |
| 203 | A | 90.9 | Very high | 87.3 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V201 S207 | V201-A203 VanDerWaalsContact C-N 3.28Å; V201-A203 PolarHBondContact O-N 2.84Å; V201-A203 VanDerWaalsContact O-N 3.17Å; A203-S207 VanDerWaalsContact O-CB 3.29Å; A203-S207 WeakPolarHBondContact O-CB 3.43Å; A203-S207 PolarHBondContact O-N 3.48Å; A203-S207 VanDerWaalsContact O-N 3.09Å |
| 204 | A | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E171 L184 V201 T202 R206 S207 G208 L218 | E171-A204 HydrophobicContact CB-CB 4.22Å; E171-A204 HydrophobicContact CG-CB 3.95Å; L184-A204 HydrophobicContact CD1-CB 3.52Å; L184-A204 HydrophobicContact CD2-CB 3.82Å; L184-A204 HydrophobicContact CG-CB 4.31Å; V201-A204 PolarHBondContact O-N 2.82Å; V201-A204 VanDerWaalsContact O-N 3.09Å; T202-A204 PolarHBondContact O-N 2.83Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.78Å; A204-S207 PolarHBondContact O-N 2.98Å; A204-G208 PolarHBondContact O-N 2.94Å; A204-L218 HydrophobicContact CB-CD2 4.18Å |
| 205 | I | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 179.5 | -56.7 | -45.7 | 0 | 0 | 0 | 110.8 | V133 I141 A144 V201 T202 G208 T209 T216 L251 I253 | V133-I205 HydrophobicContact CG1-CG2 4.21Å; I141-I205 HydrophobicContact CD1-CG2 3.86Å; A144-I205 HydrophobicContact CB-CB 4Å; A144-I205 HydrophobicContact CB-CG1 3.64Å; A144-I205 HydrophobicContact CB-CG2 4.37Å; V201-I205 HydrophobicContact CG2-CD1 4.39Å; V201-I205 HydrophobicContact CG2-CG1 4Å; V201-I205 WeakPolarHBondContact O-CG1 3.28Å; V201-I205 PolarHBondContact O-N 2.88Å; V201-I205 VanDerWaalsContact O-N 3.12Å; T202-I205 PolarHBondContact O-N 3.11Å; I205-G208 PolarHBondContact O-N 3.41Å; I205-T209 WeakPolarHBondContact O-CB 3.38Å; I205-T209 PolarHBondContact O-N 3.35Å; I205-T209 PolarHBondContact O-OG1 2.94Å; I205-T216 HydrophobicContact CD1-CG2 3.47Å; I205-T216 VanDerWaalsContact CD1-CG2 3.47Å; I205-L251 HydrophobicContact CD1-CD1 4.29Å; I205-L251 HydrophobicContact CD1-CD2 3.7Å; I205-L251 HydrophobicContact CG1-CD1 4.28Å; I205-L251 HydrophobicContact CG1-CD2 4.2Å; I205-I253 HydrophobicContact CG2-CD1 3.77Å |
| 206 | R | 90 | Very high | 84.1 | Confident | 94 Ų | 94 | 53.4 Ų | 53.4 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62 | -50.2 | 176.6 | -170.3 | 178.5 | -65.4 | 139.9 | 1.8 | 111.4 | I141 I142 T202 A204 G208 T209 E210 | I141-R206 PolarHBondContact O-NH2 3.25Å; I142-R206 PolarHBondContact O-NH2 2.94Å; I142-R206 VanDerWaalsContact O-NH2 3.17Å; T202-R206 WeakPolarHBondContact O-CB 3.39Å; T202-R206 PolarHBondContact O-N 3.03Å; A204-R206 VanDerWaalsContact C-N 3.34Å; A204-R206 PolarHBondContact O-N 2.78Å; R206-G208 PolarHBondContact O-N 3.39Å; R206-T209 PolarHBondContact O-N 3.26Å; R206-E210 WeakPolarHBondContact O-CG 3.19Å; R206-E210 PolarHBondContact O-N 3.24Å |
| 207 | S | 85.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.7 | -45.4 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 112.7 | A203 A204 S211 | A203-S207 VanDerWaalsContact O-CB 3.29Å; A203-S207 WeakPolarHBondContact O-CB 3.43Å; A203-S207 PolarHBondContact O-N 3.48Å; A203-S207 VanDerWaalsContact O-N 3.09Å; A204-S207 PolarHBondContact O-N 2.98Å; S207-S211 WeakPolarHBondContact O-CB 3.06Å; S207-S211 PolarHBondContact O-N 2.91Å; S207-S211 VanDerWaalsContact O-N 3.07Å; S207-S211 PolarHBondContact O-OG 3.24Å |
| 208 | G | 83 | Confident | 83.8 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A204 I205 R206 S211 G212 R213 | A204-G208 PolarHBondContact O-N 2.94Å; I205-G208 PolarHBondContact O-N 3.41Å; R206-G208 PolarHBondContact O-N 3.39Å; G208-S211 PolarHBondContact O-N 3.25Å; G208-G212 PolarHBondContact O-N 3.33Å; G208-R213 PolarHBondContact O-N 3.42Å |
| 209 | T | 83.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 179 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | I141 I205 R206 S211 G212 | I141-T209 HydrophobicContact CD1-CG2 4.47Å; I205-T209 WeakPolarHBondContact O-CB 3.38Å; I205-T209 PolarHBondContact O-N 3.35Å; I205-T209 PolarHBondContact O-OG1 2.94Å; R206-T209 PolarHBondContact O-N 3.26Å; T209-S211 VanDerWaalsContact C-N 3.29Å; T209-S211 PolarHBondContact O-N 2.92Å; T209-G212 PolarHBondContact O-N 3.22Å |
| 210 | E | 80 | Confident | 83.5 | Confident | 154 Ų | 154 | 47.7 Ų | 47.7 | 72% | 0.72 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.1 | -34 | 176.4 | -72.7 | 174.1 | -176.3 | 0 | 0 | 112.5 | R206 G212 | R206-E210 WeakPolarHBondContact O-CG 3.19Å; R206-E210 PolarHBondContact O-N 3.24Å; E210-G212 PolarHBondContact O-N 3.42Å |
| 211 | S | 75.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 44 Ų | 44 | 54% | 0.538 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.6 | 179.1 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | S207 G208 T209 R213 | S207-S211 WeakPolarHBondContact O-CB 3.06Å; S207-S211 PolarHBondContact O-N 2.91Å; S207-S211 VanDerWaalsContact O-N 3.07Å; S207-S211 PolarHBondContact O-OG 3.24Å; G208-S211 PolarHBondContact O-N 3.25Å; T209-S211 VanDerWaalsContact C-N 3.29Å; T209-S211 PolarHBondContact O-N 2.92Å; S211-R213 PolarHBondContact O-N 3.31Å |
| 212 | G | 69.3 | Low | 83 | Confident | 69 Ų | 69 | 44 Ų | 44 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 13.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | G208 T209 E210 G214 | G208-G212 PolarHBondContact O-N 3.33Å; T209-G212 PolarHBondContact O-N 3.22Å; E210-G212 PolarHBondContact O-N 3.42Å; G212-G214 PolarHBondContact O-N 2.84Å |
| 213 | R | 65.8 | Low | 82.6 | Confident | 167 Ų | 167 | 46.1 Ų | 46.1 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | trans | -85.9 | 90.5 | 175.4 | -66.5 | -174.1 | -175.1 | -154.1 | 2.3 | 107.8 | G208 S211 A215 | G208-R213 PolarHBondContact O-N 3.42Å; S211-R213 PolarHBondContact O-N 3.31Å; R213-A215 PolarHBondContact O-N 3.38Å; R213-A215 VanDerWaalsContact O-N 3.1Å | ||
| 214 | G | 56.9 | Low | 81.8 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | trans | -62.6 | -13.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V133 G212 | V133-G214 PolarHBondContact N-O 3Å; V133-G214 VanDerWaalsContact N-O 3.08Å; G212-G214 PolarHBondContact O-N 2.84Å | ||
| 215 | A | 62.2 | Low | 80.7 | Confident | 73 Ų | 73 | 51 Ų | 51 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | F131 R213 | F131-A215 WeakPolarHBondContact O-CA 3.5Å; R213-A215 PolarHBondContact O-N 3.38Å; R213-A215 VanDerWaalsContact O-N 3.1Å |
| 216 | T | 80.9 | Confident | 79.3 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.8 | 174.5 | -49.8 | 0 | 0 | 0 | 0 | 108.8 | F131 I205 | F131-T216 PolarHBondContact N-O 3.16Å; F131-T216 PolarHBondContact O-N 3.07Å; I205-T216 HydrophobicContact CD1-CG2 3.47Å; I205-T216 VanDerWaalsContact CD1-CG2 3.47Å |
| 217 | A | 88.6 | Confident | 78 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R128 L129 A172 | R128-A217 HydrophobicContact CG-CB 4.42Å; L129-A217 CarbonylContact O-C 3.49Å; L129-A217 VanDerWaalsContact O-CA 3.31Å; L129-A217 WeakPolarHBondContact O-CA 3.24Å; A172-A217 HydrophobicContact CB-CB 3.66Å; A172-A217 VanDerWaalsContact CB-O 3.25Å; A172-A217 WeakPolarHBondContact CB-O 3.07Å; A172-A217 PolarHBondContact N-O 3.43Å |
| 218 | L | 91.3 | Very high | 76.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.8 | 178.5 | -63.6 | 171 | 0 | 0 | 0 | 109 | R128 L129 F131 L146 L184 V201 A204 | R128-L218 WeakPolarHBondContact CA-O 3.22Å; L129-L218 PolarHBondContact N-O 2.87Å; L129-L218 PolarHBondContact O-N 3.3Å; F131-L218 HydrophobicContact CD2-CD1 4.3Å; F131-L218 HydrophobicContact CE2-CD1 4.04Å; L146-L218 HydrophobicContact CD1-CD1 4.32Å; L146-L218 HydrophobicContact CD2-CD1 4.13Å; L184-L218 HydrophobicContact CD1-CD2 3.76Å; V201-L218 HydrophobicContact CB-CD1 4.31Å; V201-L218 HydrophobicContact CB-CD2 4.45Å; V201-L218 HydrophobicContact CG1-CD1 4.12Å; V201-L218 HydrophobicContact CG1-CD2 4.36Å; V201-L218 HydrophobicContact CG2-CD1 4.27Å; A204-L218 HydrophobicContact CB-CD2 4.18Å |
| 219 | D | 91 | Very high | 75.6 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.107 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126 | 176.5 | -73.6 | -17.7 | 0 | 0 | 0 | 109.1 | F127 R128 V169 Y170 | F127-D219 CarbonylContact O-C 3.52Å; F127-D219 WeakPolarHBondContact O-CA 3.36Å; R128-D219 VanDerWaalsContact CB-OD1 3.28Å; R128-D219 WeakPolarHBondContact CB-OD1 2.84Å; R128-D219 WeakPolarHBondContact CG-OD1 3.31Å; R128-D219 IonicContact CZ-OD1 3.52Å; R128-D219 IonicContact CZ-OD2 3.71Å; R128-D219 IonicContact NE-OD1 2.75Å; R128-D219 PolarHBondContact NE-OD1 2.96Å; R128-D219 IonicContact NE-OD2 3.71Å; R128-D219 IonicContact NH2-OD1 3.43Å; R128-D219 PolarHBondContact NH2-OD1 2.87Å; R128-D219 IonicContact NH2-OD2 2.85Å; R128-D219 PolarHBondContact NH2-OD2 2.96Å; V169-D219 CarbonylContact C-O 3.56Å; Y170-D219 PolarHBondContact N-O 2.87Å; Y170-D219 PolarHBondContact O-N 3.46Å |
| 220 | V | 92.3 | Very high | 74.3 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.8 | 179.4 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | R126 F127 L129 L146 L148 V167 V169 V222 M239 | R126-V220 CarbonylContact C-O 3.53Å; R126-V220 VanDerWaalsContact CA-O 3.26Å; R126-V220 WeakPolarHBondContact CA-O 3.37Å; F127-V220 PolarHBondContact N-O 2.88Å; F127-V220 PolarHBondContact O-N 3.13Å; L129-V220 HydrophobicContact CD1-CG2 3.74Å; L129-V220 HydrophobicContact CG-CG2 4.27Å; L146-V220 HydrophobicContact CD2-CG2 4.2Å; L148-V220 HydrophobicContact CD1-CG1 3.84Å; L148-V220 HydrophobicContact CD1-CG2 4.05Å; V167-V220 HydrophobicContact CG1-CG1 3.77Å; V169-V220 HydrophobicContact CG2-CG2 4.42Å; V220-V222 HydrophobicContact CG1-CG2 4.36Å; V220-M239 HydrophobicContact CB-SD 4.27Å; V220-M239 HydrophobicContact CG1-SD 3.82Å |
| 221 | A | 90.7 | Very high | 72.9 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | S125 R126 V167 K168 Y170 | S125-A221 WeakPolarHBondContact O-CA 3.46Å; R126-A221 HydrophobicContact CG-CB 3.9Å; V167-A221 WeakPolarHBondContact CA-O 3.45Å; K168-A221 PolarHBondContact N-O 3Å; K168-A221 PolarHBondContact O-N 3.48Å; Y170-A221 HydrophobicContact CE2-CB 3.93Å |
| 222 | V | 89.6 | Confident | 71.7 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 94.1 | 177.3 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | S125 F127 F150 A165 V220 R224 M239 | S125-V222 WeakPolarHBondContact CB-O 3.43Å; S125-V222 PolarHBondContact O-N 2.81Å; S125-V222 PolarHBondContact OG-O 2.76Å; F127-V222 HydrophobicContact CD2-CG2 4.27Å; F127-V222 HydrophobicContact CE2-CG2 4Å; F150-V222 HydrophobicContact CE1-CG2 4.37Å; A165-V222 HydrophobicContact CB-CG1 3.9Å; V220-V222 HydrophobicContact CG1-CG2 4.36Å; V222-R224 PolarHBondContact O-N 3.2Å; V222-M239 HydrophobicContact CG2-CB 4.03Å; V222-M239 HydrophobicContact CG2-SD 4.47Å |
| 223 | D | 84.9 | Confident | 70.9 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 118.5 | 179.5 | -170.8 | -4.6 | 0 | 0 | 0 | 110.4 | A166 E225 | A166-D223 HydrophobicContact CB-CB 4.17Å; A166-D223 PolarHBondContact N-O 2.97Å; A166-D223 WeakPolarHBondContact O-CB 3.5Å; A166-D223 PolarHBondContact O-N 3.34Å; D223-E225 VanDerWaalsContact OD1-CB 3.27Å; D223-E225 WeakPolarHBondContact OD1-CB 3.19Å; D223-E225 WeakPolarHBondContact OD1-CG 3.39Å; D223-E225 PolarHBondContact OD1-N 3.36Å |
| 224 | R | 75.5 | Confident | 70.4 | Confident | 58 Ų | 58 | 60.8 Ų | 60.8 | 22% | 0.219 | 35% | 0.349 | C | S | . | . | trans | -101.1 | -4.6 | 178.9 | -62.6 | -175.6 | -177.6 | 160.6 | 4.4 | 112.6 | V222 A226 C227 D228 N238 | V222-R224 PolarHBondContact O-N 3.2Å; R224-A226 PolarHBondContact O-N 3.47Å; R224-A226 VanDerWaalsContact O-N 3.15Å; R224-C227 WeakPolarHBondContact O-CA 3.46Å; R224-C227 WeakPolarHBondContact O-CB 3.5Å; R224-C227 PolarHBondContact O-N 3.49Å; R224-D228 PolarHBondContact O-N 2.96Å; R224-N238 VanDerWaalsContact CZ-OD1 3.25Å; R224-N238 PolarHBondContact NH2-OD1 3.23Å | ||
| 225 | E | 66.8 | Low | 71.1 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.2 | -32.4 | -177.6 | -71.8 | -167.6 | -170.7 | 0 | 0 | 112.4 | D223 C227 R229 | D223-E225 VanDerWaalsContact OD1-CB 3.27Å; D223-E225 WeakPolarHBondContact OD1-CB 3.19Å; D223-E225 WeakPolarHBondContact OD1-CG 3.39Å; D223-E225 PolarHBondContact OD1-N 3.36Å; E225-C227 PolarHBondContact O-N 2.94Å; E225-R229 WeakPolarHBondContact O-CG 3.41Å; E225-R229 PolarHBondContact O-N 3Å; E225-R229 IonicContact OE2-CZ 3.25Å; E225-R229 VanDerWaalsContact OE2-CZ 3.25Å; E225-R229 IonicContact OE2-NH1 2.84Å; E225-R229 PolarHBondContact OE2-NH1 3.41Å; E225-R229 IonicContact OE2-NH2 2.83Å; E225-R229 PolarHBondContact OE2-NH2 3.32Å |
| 226 | A | 61.6 | Low | 71.9 | Confident | 67 Ų | 67 | 56 Ų | 56 | 55% | 0.554 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.3 | -27.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R224 | R224-A226 PolarHBondContact O-N 3.47Å; R224-A226 VanDerWaalsContact O-N 3.15Å |
| 227 | C | 63.3 | Low | 72.1 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -93.5 | -37.1 | 178.2 | -60.3 | 0 | 0 | 0 | 0 | 112 | K164 R224 E225 R229 A230 C236 | K164-C227 PolarHBondContact O-SG 3.27Å; R224-C227 WeakPolarHBondContact O-CA 3.46Å; R224-C227 WeakPolarHBondContact O-CB 3.5Å; R224-C227 PolarHBondContact O-N 3.49Å; E225-C227 PolarHBondContact O-N 2.94Å; C227-R229 PolarHBondContact O-N 3.48Å; C227-A230 WeakPolarHBondContact O-CB 3.3Å; C227-A230 PolarHBondContact O-N 2.8Å; C227-A230 VanDerWaalsContact O-N 3.14Å; C227-C236 HydrophobicContact CB-CB 4.35Å; C227-C236 WeakPolarHBondContact CB-SG 3.4Å |
| 228 | D | 61.6 | Low | 72 | Confident | 126 Ų | 126 | 55 Ų | 55 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.7 | -26.2 | 178.3 | -68.8 | -25.8 | 0 | 0 | 0 | 112.7 | R224 | R224-D228 PolarHBondContact O-N 2.96Å |
| 229 | R | 57.2 | Low | 71.9 | Confident | 176 Ų | 176 | 55.4 Ų | 55.4 | 66% | 0.664 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.4 | 175.2 | -66 | -173.8 | -174.9 | 114.6 | 7.7 | 114.2 | E225 C227 E231 | E225-R229 WeakPolarHBondContact O-CG 3.41Å; E225-R229 PolarHBondContact O-N 3Å; E225-R229 IonicContact OE2-CZ 3.25Å; E225-R229 VanDerWaalsContact OE2-CZ 3.25Å; E225-R229 IonicContact OE2-NH1 2.84Å; E225-R229 PolarHBondContact OE2-NH1 3.41Å; E225-R229 IonicContact OE2-NH2 2.83Å; E225-R229 PolarHBondContact OE2-NH2 3.32Å; C227-R229 PolarHBondContact O-N 3.48Å; R229-E231 PolarHBondContact O-N 3.07Å |
| 230 | A | 54.8 | Low | 71.9 | Confident | 40 Ų | 40 | 55 Ų | 55 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | trans | -73.6 | 101.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | C227 E232 A234 | C227-A230 WeakPolarHBondContact O-CB 3.3Å; C227-A230 PolarHBondContact O-N 2.8Å; C227-A230 VanDerWaalsContact O-N 3.14Å; A230-E232 PolarHBondContact O-N 3.4Å; A230-A234 HydrophobicContact CB-CB 3.75Å | ||
| 231 | E | 51.3 | Low | 71.7 | Confident | 194 Ų | 194 | 57.4 Ų | 57.4 | 91% | 0.907 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -62.4 | -11.1 | -171.7 | -76 | -168.7 | 147.9 | 0 | 0 | 115.3 | R229 | R229-E231 PolarHBondContact O-N 3.07Š|
| 232 | E | 51 | Low | 71.4 | Confident | 192 Ų | 192 | 57.9 Ų | 57.9 | 90% | 0.897 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -163.6 | 118 | 172.3 | -108.6 | 160.5 | -162.5 | 0 | 0 | 110.7 | A230 | A230-E232 PolarHBondContact O-N 3.4Š|
| 233 | G | 51.9 | Low | 71.2 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 88.6 | 14.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | S160 | S160-G233 VanDerWaalsContact CB-O 3.3Å; S160-G233 WeakPolarHBondContact CB-O 3.23Å; S160-G233 PolarHBondContact OG-O 2.9Å |
| 234 | A | 56.1 | Low | 70.9 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | trans | -110.8 | 129.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S160 A230 | S160-A234 VanDerWaalsContact OG-C 3.28Å; A230-A234 HydrophobicContact CB-CB 3.75Å | ||
| 235 | G | 71 | Confident | 71.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 162.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S160 F163 K164 | S160-G235 PolarHBondContact OG-N 2.72Å; F163-G235 CarbonylContact C-O 3.52Å; F163-G235 WeakPolarHBondContact CA-O 3.27Å; F163-G235 VanDerWaalsContact CD1-C 3.43Å; F163-G235 VanDerWaalsContact CD1-CA 3.42Å; K164-G235 PolarHBondContact N-O 3.4Å |
| 236 | C | 78.3 | Confident | 71.9 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 10% | 0.095 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144.1 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 112 | D153 C227 | D153-C236 HydrophobicContact CB-CB 4.15Å; D153-C236 WeakPolarHBondContact CB-O 3.48Å; D153-C236 PolarHBondContact N-O 3.08Å; C227-C236 HydrophobicContact CB-CB 4.35Å; C227-C236 WeakPolarHBondContact CB-SG 3.4Å |
| 237 | L | 85.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139.3 | 163.8 | -72.2 | 172.6 | 0 | 0 | 0 | 111.1 | F150 F163 K164 A165 V189 A191 | F150-L237 HydrophobicContact CB-CB 4.41Å; F150-L237 HydrophobicContact CB-CD1 4.36Å; F150-L237 HydrophobicContact CB-CD2 4.5Å; F150-L237 HydrophobicContact CD1-CB 4.45Å; F163-L237 HydrophobicContact CB-CD1 4.45Å; F163-L237 HydrophobicContact CB-CD2 3.57Å; F163-L237 HydrophobicContact CB-CG 3.6Å; F163-L237 HydrophobicContact CG-CD2 4.36Å; K164-L237 PolarHBondContact O-N 3.09Å; K164-L237 VanDerWaalsContact O-N 3.13Å; A165-L237 HydrophobicContact CB-CB 3.89Å; V189-L237 HydrophobicContact CB-CD1 4.24Å; V189-L237 HydrophobicContact CG1-CD1 3.73Å; A191-L237 HydrophobicContact CB-CD1 4.49Å |
| 238 | N | 87.3 | Confident | 74.4 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.4 | 170.7 | -71.4 | -25.8 | 0 | 0 | 0 | 109.9 | F150 F151 D153 R224 | F150-N238 CarbonylContact C-O 3.5Å; F150-N238 WeakPolarHBondContact CA-O 3.37Å; F151-N238 HydrophobicContact CD1-CB 4.39Å; F151-N238 WeakPolarHBondContact CD1-O 3.42Å; F151-N238 HydrophobicContact CD2-CB 4.12Å; F151-N238 HydrophobicContact CE1-CB 3.93Å; F151-N238 HydrophobicContact CE2-CB 3.65Å; F151-N238 HydrophobicContact CG-CB 4.47Å; F151-N238 HydrophobicContact CZ-CB 3.54Å; F151-N238 PolarHBondContact N-O 3.45Å; F151-N238 PolarHBondContact O-N 3.1Å; D153-N238 WeakPolarHBondContact CB-ND2 3.29Å; D153-N238 VanDerWaalsContact CG-ND2 3.27Å; D153-N238 PolarHBondContact OD1-ND2 3.02Å; R224-N238 VanDerWaalsContact CZ-OD1 3.25Å; R224-N238 PolarHBondContact NH2-OD1 3.23Å |
| 239 | M | 89.9 | Confident | 75.9 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 139.2 | 169 | -169.9 | -169.8 | 81.2 | 0 | 0 | 109.7 | F127 L129 L148 F150 V220 V222 A241 | F127-M239 HydrophobicContact CB-CE 3.54Å; F127-M239 HydrophobicContact CD1-CE 3.77Å; F127-M239 HydrophobicContact CD2-CE 3.39Å; F127-M239 HydrophobicContact CD2-SD 4.16Å; F127-M239 HydrophobicContact CE1-CE 4.31Å; F127-M239 HydrophobicContact CE2-CB 4.37Å; F127-M239 HydrophobicContact CE2-CE 3.99Å; F127-M239 HydrophobicContact CG-CE 3.27Å; F127-M239 HydrophobicContact CZ-CE 4.41Å; L129-M239 HydrophobicContact CD2-CE 4.36Å; L148-M239 HydrophobicContact CB-CG 4.45Å; L148-M239 HydrophobicContact CD1-SD 3.87Å; L148-M239 HydrophobicContact CD2-SD 4.11Å; L148-M239 HydrophobicContact CG-SD 4.43Å; F150-M239 HydrophobicContact CD1-CB 4.1Å; F150-M239 HydrophobicContact CE1-CB 3.75Å; F150-M239 HydrophobicContact CE1-CG 4Å; F150-M239 HydrophobicContact CZ-CB 4.42Å; F150-M239 HydrophobicContact CZ-CG 4.18Å; V220-M239 HydrophobicContact CB-SD 4.27Å; V220-M239 HydrophobicContact CG1-SD 3.82Å; V222-M239 HydrophobicContact CG2-CB 4.03Å; V222-M239 HydrophobicContact CG2-SD 4.47Å; M239-A241 PolarHBondContact O-N 3.12Å |
| 240 | S | 89.9 | Confident | 77.6 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | trans | -65.3 | 130.8 | 169.4 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | F149 S242 S247 | F149-S240 PolarHBondContact O-N 3.47Å; S240-S242 PolarHBondContact OG-N 3.46Å; S240-S242 PolarHBondContact OG-OG 3.09Å; S240-S247 WeakPolarHBondContact CB-O 3.31Å; S240-S247 PolarHBondContact OG-O 3.32Å; S240-S247 PolarHBondContact OG-OG 2.99Å | ||
| 241 | A | 87.9 | Confident | 79.5 | Confident | 52 Ų | 52 | 50 Ų | 50 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | trans | -111.5 | 19.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | V118 F127 M239 | V118-A241 HydrophobicContact CB-CB 4.46Å; V118-A241 HydrophobicContact CG1-CB 3.76Å; F127-A241 HydrophobicContact CD1-CB 4.41Å; F127-A241 HydrophobicContact CE1-CB 4.25Å; M239-A241 PolarHBondContact O-N 3.12Å | ||
| 242 | S | 84.7 | Confident | 81.6 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | trans | -69.6 | 152.8 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | S240 S247 A248 | S240-S242 PolarHBondContact OG-N 3.46Å; S240-S242 PolarHBondContact OG-OG 3.09Å; S242-S247 VanDerWaalsContact OG-C 3.28Å; S242-S247 PolarHBondContact OG-O 2.93Å; S242-S247 PolarHBondContact OG-OG 3.16Å; S242-A248 WeakPolarHBondContact O-CB 3.4Å; S242-A248 WeakPolarHBondContact OG-CA 3.44Å; S242-A248 PolarHBondContact OG-N 2.94Å | ||
| 243 | V | 86.2 | Confident | 83.6 | Confident | 69 Ų | 69 | 31.6 Ų | 31.6 | 42% | 0.418 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -125.6 | 120.4 | 176.8 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | V115 V118 D245 | V115-V243 HydrophobicContact CG1-CG2 4.46Å; V118-V243 HydrophobicContact CG2-CG2 3.95Å; V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 2.86Å |
| 244 | G | 77.3 | Confident | 85.6 | Confident | 67 Ų | 67 | 29.9 Ų | 29.9 | 69% | 0.691 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 82.9 | -0.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 245 | D | 82.2 | Confident | 87.4 | Confident | 107 Ų | 107 | 28.7 Ų | 28.7 | 57% | 0.572 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -93.5 | 170.4 | 173.5 | -60.6 | -32.4 | 0 | 0 | 0 | 111.9 | V243 S247 A248 | V243-D245 VanDerWaalsContact C-N 3.34Å; V243-D245 PolarHBondContact O-N 2.86Å; D245-S247 PolarHBondContact O-N 2.86Å; D245-S247 VanDerWaalsContact O-N 3.09Å; D245-A248 WeakPolarHBondContact O-CB 3.49Å; D245-A248 PolarHBondContact O-N 2.69Å |
| 246 | D | 81.9 | Confident | 88.2 | Confident | 155 Ų | 155 | 29 Ų | 29 | 83% | 0.829 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.1 | 178.5 | -66.9 | -22.6 | 0 | 0 | 0 | 113.9 | W196 | W196-D246 WeakPolarHBondContact CZ2-O 3.49Š|
| 247 | S | 87 | Confident | 88.4 | Confident | 33 Ų | 33 | 28.9 Ų | 28.9 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.4 | 175.1 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | S240 S242 D245 | S240-S247 WeakPolarHBondContact CB-O 3.31Å; S240-S247 PolarHBondContact OG-O 3.32Å; S240-S247 PolarHBondContact OG-OG 2.99Å; S242-S247 VanDerWaalsContact OG-C 3.28Å; S242-S247 PolarHBondContact OG-O 2.93Å; S242-S247 PolarHBondContact OG-OG 3.16Å; D245-S247 PolarHBondContact O-N 2.86Å; D245-S247 VanDerWaalsContact O-N 3.09Å |
| 248 | A | 90.6 | Very high | 87.5 | Confident | 14 Ų | 14 | 34 Ų | 34 | 12% | 0.116 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -72 | 146.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V115 S242 D245 | V115-A248 HydrophobicContact CG1-CB 4.12Å; S242-A248 WeakPolarHBondContact O-CB 3.4Å; S242-A248 WeakPolarHBondContact OG-CA 3.44Å; S242-A248 PolarHBondContact OG-N 2.94Å; D245-A248 WeakPolarHBondContact O-CB 3.49Å; D245-A248 PolarHBondContact O-N 2.69Å |
| 249 | A | 92.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | trans | -62 | 142.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | V115 L129 F131 Q147 L148 | V115-A249 HydrophobicContact CB-CB 4.22Å; V115-A249 WeakPolarHBondContact CB-O 3.09Å; V115-A249 HydrophobicContact CG1-CB 4.23Å; V115-A249 WeakPolarHBondContact CG1-O 3.36Å; V115-A249 PolarHBondContact N-O 3.21Å; L129-A249 HydrophobicContact CD1-CB 4.21Å; F131-A249 HydrophobicContact CZ-CB 4.49Å; Q147-A249 WeakPolarHBondContact O-CA 3.37Å; L148-A249 HydrophobicContact CD2-CB 3.66Å | ||
| 250 | A | 93.2 | Very high | 85.2 | Confident | 14 Ų | 14 | 38 Ų | 38 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F113 Q147 I252 | F113-A250 WeakPolarHBondContact O-CA 3.45Å; Q147-A250 PolarHBondContact N-O 3.5Å; Q147-A250 PolarHBondContact O-N 2.66Å; Q147-A250 VanDerWaalsContact O-N 3.13Å; A250-I252 HydrophobicContact CB-CD1 4.42Å |
| 251 | L | 94.2 | Very high | 84 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.2 | 173.1 | 176.4 | 69.1 | 0 | 0 | 0 | 108.8 | F113 F131 V133 A144 V201 I205 I253 | F113-L251 HydrophobicContact CB-CB 4.2Å; F113-L251 PolarHBondContact N-O 3.4Å; F113-L251 PolarHBondContact O-N 2.6Å; F131-L251 HydrophobicContact CB-CD2 4.29Å; F131-L251 HydrophobicContact CD1-CB 3.75Å; F131-L251 HydrophobicContact CD1-CD2 4.48Å; F131-L251 HydrophobicContact CE1-CB 3.72Å; F131-L251 HydrophobicContact CG-CB 4.22Å; F131-L251 HydrophobicContact CG-CD2 4.18Å; F131-L251 HydrophobicContact CZ-CB 4.17Å; V133-L251 HydrophobicContact CG2-CD2 3.59Å; A144-L251 HydrophobicContact CB-CD1 4.44Å; V201-L251 HydrophobicContact CG2-CD1 3.5Å; I205-L251 HydrophobicContact CD1-CD1 4.29Å; I205-L251 HydrophobicContact CD1-CD2 3.7Å; I205-L251 HydrophobicContact CG1-CD1 4.28Å; I205-L251 HydrophobicContact CG1-CD2 4.2Å; L251-I253 HydrophobicContact CD2-CD1 4.05Å; L251-I253 HydrophobicContact CD2-CG1 4.34Å; L251-I253 HydrophobicContact CG-CD1 4.34Å; L251-I253 HydrophobicContact CG-CG1 4.08Å |
| 252 | I | 94.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.1 | 179.5 | -49.2 | -57.8 | 0 | 0 | 0 | 108.5 | F89 M90 L93 I110 R111 S112 A144 E145 Q147 A250 F254 | F89-I252 HydrophobicContact CD1-CD1 4.32Å; F89-I252 HydrophobicContact CD1-CG1 4.19Å; F89-I252 HydrophobicContact CE1-CD1 4.43Å; F89-I252 HydrophobicContact CE1-CG1 3.88Å; F89-I252 HydrophobicContact CE1-CG2 4.21Å; M90-I252 HydrophobicContact SD-CD1 4.13Å; L93-I252 HydrophobicContact CD1-CG2 4.46Å; I110-I252 HydrophobicContact CG2-CG2 3.68Å; R111-I252 WeakPolarHBondContact O-CA 3.23Å; S112-I252 WeakPolarHBondContact OG-CD1 3.31Å; A144-I252 CarbonylContact C-O 3.51Å; A144-I252 WeakPolarHBondContact CA-O 3.45Å; E145-I252 PolarHBondContact N-O 3.33Å; E145-I252 PolarHBondContact O-N 2.85Å; Q147-I252 HydrophobicContact CG-CG1 4.32Å; A250-I252 HydrophobicContact CB-CD1 4.42Å; I252-F254 HydrophobicContact CB-CE2 4.45Å; I252-F254 HydrophobicContact CG2-CD2 4.34Å; I252-F254 HydrophobicContact CG2-CE2 3.68Å; I252-F254 HydrophobicContact CG2-CZ 3.95Å |
| 253 | I | 94.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.7 | -179.1 | -57.6 | -176 | 0 | 0 | 0 | 109.1 | I110 R111 F113 V133 I135 I141 A144 I205 L251 | I110-I253 CarbonylContact C-O 3.55Å; I110-I253 WeakPolarHBondContact CA-O 3.36Å; R111-I253 PolarHBondContact N-O 2.75Å; R111-I253 PolarHBondContact O-N 2.84Å; F113-I253 HydrophobicContact CD2-CD1 3.81Å; F113-I253 HydrophobicContact CD2-CG1 4.02Å; F113-I253 HydrophobicContact CE2-CB 4.19Å; F113-I253 HydrophobicContact CE2-CD1 3.55Å; F113-I253 HydrophobicContact CE2-CG1 3.97Å; F113-I253 HydrophobicContact CZ-CD1 4.36Å; V133-I253 HydrophobicContact CG1-CD1 3.48Å; V133-I253 VanDerWaalsContact CG1-CD1 3.48Å; V133-I253 HydrophobicContact CG2-CD1 4.4Å; I135-I253 HydrophobicContact CD1-CB 4.46Å; I135-I253 HydrophobicContact CD1-CD1 4.1Å; I135-I253 HydrophobicContact CD1-CG2 4Å; I135-I253 HydrophobicContact CG1-CD1 4.46Å; I141-I253 HydrophobicContact CG1-CG2 4.35Å; I141-I253 HydrophobicContact CG2-CG2 3.98Å; A144-I253 HydrophobicContact CB-CG1 4.12Å; I205-I253 HydrophobicContact CG2-CD1 3.77Å; L251-I253 HydrophobicContact CD2-CD1 4.05Å; L251-I253 HydrophobicContact CD2-CG1 4.34Å; L251-I253 HydrophobicContact CG-CD1 4.34Å; L251-I253 HydrophobicContact CG-CG1 4.08Å |
| 254 | F | 93.7 | Very high | 80.9 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.8 | 171.9 | -57.9 | -101.4 | 0 | 0 | 0 | 108.8 | L93 F107 V109 I110 I142 T143 E145 I252 | L93-F254 HydrophobicContact CD1-CE1 4.47Å; L93-F254 HydrophobicContact CD1-CZ 4.22Å; F107-F254 HydrophobicContact CB-CB 4.22Å; F107-F254 HydrophobicContact CD1-CB 4.29Å; F107-F254 AromaticContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CD1 3.78Å; F107-F254 HydrophobicContact CD1-CG 4.43Å; F107-F254 HydrophobicContact CD2-CD1 4.11Å; F107-F254 AromaticContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CD1 3.58Å; F107-F254 HydrophobicContact CE1-CE1 4Å; F107-F254 AromaticContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CD1 3.98Å; F107-F254 HydrophobicContact CE2-CE1 4.43Å; F107-F254 HydrophobicContact CG-CB 4.21Å; F107-F254 HydrophobicContact CG-CD1 4.01Å; F107-F254 AromaticContact CZ-CD1 3.65Å; F107-F254 HydrophobicContact CZ-CD1 3.65Å; F107-F254 AromaticContact CZ-CE1 3.86Å; F107-F254 HydrophobicContact CZ-CE1 3.86Å; V109-F254 WeakPolarHBondContact O-CA 3.23Å; I110-F254 HydrophobicContact CB-CD1 4.45Å; I110-F254 HydrophobicContact CD1-CD1 4.02Å; I110-F254 HydrophobicContact CD1-CE1 3.71Å; I110-F254 HydrophobicContact CG1-CD1 3.73Å; I110-F254 HydrophobicContact CG1-CE1 3.91Å; I110-F254 HydrophobicContact CG2-CD1 4.12Å; I110-F254 HydrophobicContact CG2-CE1 3.96Å; I110-F254 HydrophobicContact CG2-CZ 4.29Å; I142-F254 PolarHBondContact N-O 2.94Å; T143-F254 PolarHBondContact N-O 3.36Å; T143-F254 PolarHBondContact O-N 3.17Å; T143-F254 WeakPolarHBondContact OG1-CB 3.11Å; T143-F254 WeakPolarHBondContact OG1-CD2 3.46Å; T143-F254 WeakPolarHBondContact OG1-CG 3.34Å; E145-F254 HydrophobicContact CG-CE2 4.49Å; I252-F254 HydrophobicContact CB-CE2 4.45Å; I252-F254 HydrophobicContact CG2-CD2 4.34Å; I252-F254 HydrophobicContact CG2-CE2 3.68Å; I252-F254 HydrophobicContact CG2-CZ 3.95Å |
| 255 | S | 92.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 156.1 | 180 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | D108 V109 R111 E139 Q140 | D108-S255 PolarHBondContact N-O 2.81Å; V109-S255 PolarHBondContact N-O 2.81Å; V109-S255 PolarHBondContact O-N 2.88Å; R111-S255 PolarHBondContact NH1-OG 3.27Å; E139-S255 WeakPolarHBondContact OE2-CB 3.39Å; E139-S255 PolarHBondContact OE2-OG 2.84Å; Q140-S255 CarbonylContact O-C 3.57Å; Q140-S255 WeakPolarHBondContact O-CA 3.28Å; Q140-S255 WeakPolarHBondContact O-CB 3.15Å |
| 256 | D | 88.1 | Confident | 79.5 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.1 | 176 | -170.5 | 30.2 | 0 | 0 | 0 | 110.8 | E139 Q140 I142 F258 R261 | E139-D256 WeakPolarHBondContact CA-O 3.48Å; Q140-D256 PolarHBondContact N-O 3.06Å; Q140-D256 PolarHBondContact O-N 2.87Å; I142-D256 HydrophobicContact CD1-CB 3.55Å; I142-D256 HydrophobicContact CG1-CB 4.18Å; D256-F258 HydrophobicContact CB-CD2 4.02Å; D256-F258 HydrophobicContact CB-CE2 3.77Å; D256-F258 HydrophobicContact CB-CZ 4.25Å; D256-F258 PolarHBondContact O-N 2.59Å; D256-F258 VanDerWaalsContact OD2-CD1 3.3Å; D256-F258 WeakPolarHBondContact OD2-CD1 3.29Å; D256-F258 WeakPolarHBondContact OD2-CE1 3.44Å; D256-F258 WeakPolarHBondContact OD2-CE2 3.4Å; D256-F258 WeakPolarHBondContact OD2-CZ 3.35Å; D256-R261 IonicContact OD1-CZ 3.61Å; D256-R261 IonicContact OD1-NE 2.83Å; D256-R261 PolarHBondContact OD1-NE 2.94Å; D256-R261 IonicContact OD1-NH2 3.78Å; D256-R261 PolarHBondContact OD1-NH2 3.09Å; D256-R261 IonicContact OD2-NH2 3.38Å |
| 257 | D | 84 | Confident | 78.7 | Confident | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -96.3 | 69.2 | 176 | -178.3 | 6 | 0 | 0 | 0 | 109.2 | H138 E139 N259 S260 | H138-D257 IonicContact CD2-OD1 3.41Å; H138-D257 PolarHBondContact CD2-OD1 3.43Å; H138-D257 IonicContact CD2-OD2 2.91Å; E139-D257 HydrophobicContact CG-CB 4.24Å; D257-N259 PolarHBondContact O-N 3.46Å; D257-S260 PolarHBondContact O-N 2.89Å; D257-S260 PolarHBondContact O-OG 2.88Å; D257-S260 PolarHBondContact OD1-N 3.15Å; D257-S260 WeakPolarHBondContact OD2-CB 3.33Å; D257-S260 PolarHBondContact OD2-OG 2.86Å | ||
| 258 | F | 66 | Low | 77.9 | Confident | 106 Ų | 106 | 57 Ų | 57 | 47% | 0.465 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -50.3 | -29.7 | -176 | -78.8 | -79.4 | 0 | 0 | 0 | 114.5 | Q140 D256 R262 | Q140-F258 HydrophobicContact CB-CD2 3.82Å; Q140-F258 HydrophobicContact CB-CE2 3.76Å; Q140-F258 HydrophobicContact CG-CE2 4.21Å; D256-F258 HydrophobicContact CB-CD2 4.02Å; D256-F258 HydrophobicContact CB-CE2 3.77Å; D256-F258 HydrophobicContact CB-CZ 4.25Å; D256-F258 PolarHBondContact O-N 2.59Å; D256-F258 VanDerWaalsContact OD2-CD1 3.3Å; D256-F258 WeakPolarHBondContact OD2-CD1 3.29Å; D256-F258 WeakPolarHBondContact OD2-CE1 3.44Å; D256-F258 WeakPolarHBondContact OD2-CE2 3.4Å; D256-F258 WeakPolarHBondContact OD2-CZ 3.35Å; F258-R262 WeakPolarHBondContact O-CB 3.17Å; F258-R262 PolarHBondContact O-N 3.37Å |
| 259 | N | 64.1 | Low | 77 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -77.1 | -32.5 | -177.2 | -83.3 | -37.1 | 0 | 0 | 0 | 113 | D257 R263 | D257-N259 PolarHBondContact O-N 3.46Å; N259-R263 VanDerWaalsContact O-CG 3.32Å; N259-R263 WeakPolarHBondContact O-CG 3.48Å; N259-R263 PolarHBondContact O-N 3.49Å |
| 260 | S | 64.5 | Low | 75.8 | Confident | 26 Ų | 26 | 69 Ų | 69 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.1 | -54.5 | 175.1 | 69 | 0 | 0 | 0 | 0 | 110.3 | D257 R262 R263 E264 | D257-S260 PolarHBondContact O-N 2.89Å; D257-S260 PolarHBondContact O-OG 2.88Å; D257-S260 PolarHBondContact OD1-N 3.15Å; D257-S260 WeakPolarHBondContact OD2-CB 3.33Å; D257-S260 PolarHBondContact OD2-OG 2.86Å; S260-R262 PolarHBondContact O-N 2.94Å; S260-R263 PolarHBondContact O-N 2.79Å; S260-R263 VanDerWaalsContact O-N 3.1Å; S260-E264 PolarHBondContact O-N 3.03Å |
| 261 | R | 65 | Low | 74.6 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -40.9 | -178.2 | -70 | -148.9 | -109.9 | -155.7 | -4.3 | 114.1 | P105 D108 D256 E264 R265 | P105-R261 PolarHBondContact O-NH1 3.2Å; P105-R261 PolarHBondContact O-NH2 3.19Å; D108-R261 VanDerWaalsContact CG-NE 3.3Å; D108-R261 IonicContact OD1-CZ 3.21Å; D108-R261 IonicContact OD1-NE 3.19Å; D108-R261 PolarHBondContact OD1-NE 2.96Å; D108-R261 IonicContact OD1-NH1 2.97Å; D108-R261 PolarHBondContact OD1-NH1 3.19Å; D108-R261 VanDerWaalsContact OD1-NH1 3.15Å; D108-R261 IonicContact OD1-NH2 2.66Å; D108-R261 PolarHBondContact OD1-NH2 2.8Å; D108-R261 WeakPolarHBondContact OD2-CD 3.32Å; D108-R261 WeakPolarHBondContact OD2-CG 3.47Å; D108-R261 IonicContact OD2-CZ 2.69Å; D108-R261 IonicContact OD2-NE 3.35Å; D108-R261 PolarHBondContact OD2-NE 2.99Å; D108-R261 IonicContact OD2-NH2 3.69Å; D108-R261 PolarHBondContact OD2-NH2 3.24Å; D256-R261 IonicContact OD1-CZ 3.61Å; D256-R261 IonicContact OD1-NE 2.83Å; D256-R261 PolarHBondContact OD1-NE 2.94Å; D256-R261 IonicContact OD1-NH2 3.78Å; D256-R261 PolarHBondContact OD1-NH2 3.09Å; D256-R261 IonicContact OD2-NH2 3.38Å; R261-E264 PolarHBondContact O-N 3.48Å; R261-R265 WeakPolarHBondContact O-CB 3.41Å; R261-R265 PolarHBondContact O-N 3.02Å |
| 262 | R | 64.4 | Low | 73.1 | Confident | 186 Ų | 186 | 77.4 Ų | 77.4 | 70% | 0.702 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 179.4 | -176.3 | 177 | 178 | 172.6 | 1.4 | 111.7 | F258 S260 Q266 | F258-R262 WeakPolarHBondContact O-CB 3.17Å; F258-R262 PolarHBondContact O-N 3.37Å; S260-R262 PolarHBondContact O-N 2.94Å; R262-Q266 VanDerWaalsContact O-CB 3.24Å; R262-Q266 WeakPolarHBondContact O-CB 3.48Å; R262-Q266 PolarHBondContact O-N 3.27Å |
| 263 | R | 62.6 | Low | 71.6 | Confident | 187 Ų | 187 | 80.2 Ų | 80.2 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.8 | -41.6 | 178.6 | -73.3 | 176.2 | 179.8 | -179.2 | 1.9 | 111 | N259 S260 Q266 K267 | N259-R263 VanDerWaalsContact O-CG 3.32Å; N259-R263 WeakPolarHBondContact O-CG 3.48Å; N259-R263 PolarHBondContact O-N 3.49Å; S260-R263 PolarHBondContact O-N 2.79Å; S260-R263 VanDerWaalsContact O-N 3.1Å; R263-Q266 PolarHBondContact O-N 3.29Å; R263-K267 PolarHBondContact O-N 3.28Å |
| 264 | E | 65.6 | Low | 69.8 | Low | 50 Ų | 50 | 87 Ų | 87 | 23% | 0.234 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -51.1 | 178.9 | -164.4 | -168.3 | -161.5 | 0 | 0 | 111.6 | S260 R261 Q266 K267 E268 E406 | S260-E264 PolarHBondContact O-N 3.03Å; R261-E264 PolarHBondContact O-N 3.48Å; E264-Q266 PolarHBondContact O-N 3.09Å; E264-Q266 VanDerWaalsContact O-N 3.16Å; E264-K267 CarbonylContact O-C 3.6Å; E264-K267 WeakPolarHBondContact O-CA 3.39Å; E264-K267 VanDerWaalsContact O-CB 3.25Å; E264-K267 WeakPolarHBondContact O-CB 3.35Å; E264-K267 PolarHBondContact O-N 3.11Å; E264-E268 PolarHBondContact O-N 2.84Å; E264-E406 VanDerWaalsContact CD-OE2 3.27Å; E264-E406 WeakPolarHBondContact OE1-CG 3.17Å; E264-E406 VanDerWaalsContact OE2-CD 3.23Å |
| 265 | R | 65.9 | Low | 68.2 | Low | 163 Ų | 163 | 93 Ų | 93 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.2 | -35.3 | 176.3 | -168.2 | -174.9 | -60.5 | -170.5 | 1.4 | 112.5 | R261 K267 L269 | R261-R265 WeakPolarHBondContact O-CB 3.41Å; R261-R265 PolarHBondContact O-N 3.02Å; R265-K267 VanDerWaalsContact C-N 3.34Å; R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 WeakPolarHBondContact O-CB 3.4Å; R265-L269 WeakPolarHBondContact O-CD1 3.23Å; R265-L269 VanDerWaalsContact O-CG 3.3Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 3.26Å |
| 266 | Q | 64.4 | Low | 66.3 | Low | 95 Ų | 95 | 101.1 Ų | 101.1 | 44% | 0.444 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.6 | -28.4 | 176 | -169 | 166.8 | 10.9 | 0 | 0 | 112.5 | R262 R263 E264 R270 | R262-Q266 VanDerWaalsContact O-CB 3.24Å; R262-Q266 WeakPolarHBondContact O-CB 3.48Å; R262-Q266 PolarHBondContact O-N 3.27Å; R263-Q266 PolarHBondContact O-N 3.29Å; E264-Q266 PolarHBondContact O-N 3.09Å; E264-Q266 VanDerWaalsContact O-N 3.16Å; Q266-R270 VanDerWaalsContact O-CG 3.26Å; Q266-R270 WeakPolarHBondContact O-CG 3.33Å; Q266-R270 PolarHBondContact O-N 3.38Å |
| 267 | K | 66.3 | Low | 64.5 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70 | -48.8 | 170.3 | -172.1 | -173.6 | 172.5 | -164 | 0 | 110.2 | R263 E264 R265 L269 R270 E271 E407 | R263-K267 PolarHBondContact O-N 3.28Å; E264-K267 CarbonylContact O-C 3.6Å; E264-K267 WeakPolarHBondContact O-CA 3.39Å; E264-K267 VanDerWaalsContact O-CB 3.25Å; E264-K267 WeakPolarHBondContact O-CB 3.35Å; E264-K267 PolarHBondContact O-N 3.11Å; R265-K267 VanDerWaalsContact C-N 3.34Å; K267-L269 PolarHBondContact O-N 2.88Å; K267-R270 WeakPolarHBondContact O-CB 3.47Å; K267-R270 PolarHBondContact O-N 2.86Å; K267-R270 VanDerWaalsContact O-N 3.08Å; K267-E271 VanDerWaalsContact CE-OE1 3.29Å; K267-E271 WeakPolarHBondContact CE-OE1 3.41Å; K267-E271 WeakPolarHBondContact O-CG 3.01Å; K267-E271 PolarHBondContact O-N 3.34Å; K267-E407 IonicContact NZ-OE1 3.28Å; K267-E407 PolarHBondContact NZ-OE1 3.33Å |
| 268 | E | 69.8 | Low | 62.8 | Low | 95 Ų | 95 | 112.5 Ų | 112.5 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 175.6 | -67 | -176.5 | 146.5 | 0 | 0 | 112.1 | E264 R270 E271 M272 | E264-E268 PolarHBondContact O-N 2.84Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.22Å; E268-E271 PolarHBondContact O-N 3.05Å; E268-E271 VanDerWaalsContact O-N 3.13Å; E268-M272 HydrophobicContact CB-CE 4.23Å; E268-M272 WeakPolarHBondContact O-CG 3.3Å; E268-M272 PolarHBondContact O-N 2.85Å |
| 269 | L | 71.2 | Confident | 62 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 176.7 | -78.4 | 163.5 | 0 | 0 | 0 | 112.6 | R265 K267 M272 A273 | R265-L269 HydrophobicContact CG-CD1 4.25Å; R265-L269 WeakPolarHBondContact O-CB 3.4Å; R265-L269 WeakPolarHBondContact O-CD1 3.23Å; R265-L269 VanDerWaalsContact O-CG 3.3Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 3.26Å; K267-L269 PolarHBondContact O-N 2.88Å; L269-M272 HydrophobicContact CD2-CE 3.93Å; L269-M272 HydrophobicContact CG-CE 4.17Å; L269-A273 WeakPolarHBondContact O-CB 3.07Å; L269-A273 PolarHBondContact O-N 3.27Å |
| 270 | R | 67.4 | Low | 60.8 | Low | 166 Ų | 166 | 116.5 Ų | 116.5 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.1 | -39.7 | 174 | -77.3 | 173.1 | 177.7 | 174.6 | 1 | 111.7 | Q266 K267 E268 A273 L274 | Q266-R270 VanDerWaalsContact O-CG 3.26Å; Q266-R270 WeakPolarHBondContact O-CG 3.33Å; Q266-R270 PolarHBondContact O-N 3.38Å; K267-R270 WeakPolarHBondContact O-CB 3.47Å; K267-R270 PolarHBondContact O-N 2.86Å; K267-R270 VanDerWaalsContact O-N 3.08Å; E268-R270 VanDerWaalsContact C-N 3.27Å; E268-R270 PolarHBondContact O-N 3.22Å; R270-A273 PolarHBondContact O-N 3.36Å; R270-L274 VanDerWaalsContact O-CG 3.32Å; R270-L274 WeakPolarHBondContact O-CG 3.32Å; R270-L274 PolarHBondContact O-N 3.17Å |
| 271 | E | 67.7 | Low | 59.7 | Low | 89 Ų | 89 | 122.7 Ų | 122.7 | 42% | 0.416 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.3 | -41.5 | 177.3 | -72.3 | 174.7 | -175.5 | 0 | 0 | 111.5 | K267 E268 L274 H275 | K267-E271 VanDerWaalsContact CE-OE1 3.29Å; K267-E271 WeakPolarHBondContact CE-OE1 3.41Å; K267-E271 WeakPolarHBondContact O-CG 3.01Å; K267-E271 PolarHBondContact O-N 3.34Å; E268-E271 PolarHBondContact O-N 3.05Å; E268-E271 VanDerWaalsContact O-N 3.13Å; E271-L274 PolarHBondContact O-N 3.17Å; E271-H275 PolarHBondContact O-CD2 2.96Å; E271-H275 PolarHBondContact O-N 2.96Å |
| 272 | M | 62.2 | Low | 58.6 | Low | 102 Ų | 102 | 130 Ų | 130 | 50% | 0.502 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.1 | -43.1 | 172.3 | -69.3 | -173.9 | -79.4 | 0 | 0 | 111.9 | E268 L269 L274 H275 E276 | E268-M272 HydrophobicContact CB-CE 4.23Å; E268-M272 WeakPolarHBondContact O-CG 3.3Å; E268-M272 PolarHBondContact O-N 2.85Å; L269-M272 HydrophobicContact CD2-CE 3.93Å; L269-M272 HydrophobicContact CG-CE 4.17Å; M272-L274 VanDerWaalsContact C-N 3.27Å; M272-L274 PolarHBondContact O-N 2.86Å; M272-H275 PolarHBondContact O-N 2.87Å; M272-E276 PolarHBondContact O-N 2.88Å |
| 273 | A | 63.4 | Low | 57.4 | Low | 59 Ų | 59 | 128.1 Ų | 128.1 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.7 | -30.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L269 R270 H275 | L269-A273 WeakPolarHBondContact O-CB 3.07Å; L269-A273 PolarHBondContact O-N 3.27Å; R270-A273 PolarHBondContact O-N 3.36Å; A273-H275 VanDerWaalsContact C-N 3.28Å; A273-H275 PolarHBondContact O-N 2.94Å |
| 274 | L | 58.1 | Low | 56.1 | Low | 142 Ų | 142 | 122.4 Ų | 122.4 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.9 | -22.2 | 174.2 | -71.6 | 168.5 | 0 | 0 | 0 | 112.9 | R270 E271 M272 | R270-L274 VanDerWaalsContact O-CG 3.32Å; R270-L274 WeakPolarHBondContact O-CG 3.32Å; R270-L274 PolarHBondContact O-N 3.17Å; E271-L274 PolarHBondContact O-N 3.17Å; M272-L274 VanDerWaalsContact C-N 3.27Å; M272-L274 PolarHBondContact O-N 2.86Å |
| 275 | H | 58.4 | Low | 54.9 | Low | 139 Ų | 139 | 125.1 Ų | 125.1 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -93.3 | -15.8 | 179.7 | -75.5 | -61.3 | 0 | 0 | 0 | 114.1 | E271 M272 A273 | E271-H275 PolarHBondContact O-CD2 2.96Å; E271-H275 PolarHBondContact O-N 2.96Å; M272-H275 PolarHBondContact O-N 2.87Å; A273-H275 VanDerWaalsContact C-N 3.28Å; A273-H275 PolarHBondContact O-N 2.94Å |
| 276 | E | 53.9 | Low | 53.5 | Low | 169 Ų | 169 | 123.7 Ų | 123.7 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | trans | -95.8 | 1.7 | -176 | -79.9 | -164.2 | 155.9 | 0 | 0 | 116.5 | M272 D278 | M272-E276 PolarHBondContact O-N 2.88Å; E276-D278 PolarHBondContact O-N 3.17Å | ||
| 277 | E | 49.8 | Very low | 52.2 | Low | 159 Ų | 159 | 131.1 Ų | 131.1 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -89.1 | 91.3 | 173.6 | -63.4 | -163.1 | 164 | 0 | 0 | 112.3 | R360 | E277-R360 PolarHBondContact O-NH2 2.9Š|
| 278 | D | 48.3 | Very low | 50.8 | Low | 100 Ų | 100 | 133 Ų | 133 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | trans | 110.5 | 121.1 | 146.5 | -99.5 | -25.1 | 0 | 0 | 0 | 120.3 | E276 F280 R360 | E276-D278 PolarHBondContact O-N 3.17Å; D278-F280 HydrophobicContact CB-CD2 3.83Å; D278-F280 HydrophobicContact CB-CE2 4.07Å; D278-F280 PolarHBondContact O-N 3.12Å; D278-R360 PolarHBondContact O-NH2 2.93Å | ||
| 279 | P | 48.3 | Very low | 49.2 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | -87.1 | 97.2 | 172.8 | 34.1 | -29.3 | 0 | 0 | 0 | 111.9 | ||||
| 280 | F | 40.2 | Very low | 47.6 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 69% | 0.689 | 72% | 0.717 | S | S | * | * | trans | -127.2 | 26.1 | 179.3 | -84.3 | -70.3 | 0 | 0 | 0 | 116.1 | D278 | D278-F280 HydrophobicContact CB-CD2 3.83Å; D278-F280 HydrophobicContact CB-CE2 4.07Å; D278-F280 PolarHBondContact O-N 3.12Å | ||
| 281 | L | 40.9 | Very low | 46.2 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | trans | -133.4 | 41.8 | 173.7 | -71.7 | 179.5 | 0 | 0 | 0 | 115.1 | ||||
| 282 | H | 41 | Very low | 44.6 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 89% | 0.889 | 76% | 0.758 | S | S | * | * | trans | -119.1 | 68.1 | 156.4 | -72.7 | -15.7 | 0 | 0 | 0 | 110 | ||||
| 283 | T | 39.4 | Very low | 43.3 | Very low | 147 Ų | 147 | 148 Ų | 148 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -151.3 | 120.7 | 161.1 | -19.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 284 | G | 37.1 | Very low | 42.6 | Very low | 67 Ų | 67 | 150.8 Ų | 150.8 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 118.3 | 47 | 161 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 285 | A | 39 | Very low | 41.4 | Very low | 108 Ų | 108 | 156.2 Ų | 156.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -125.2 | 63.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 286 | D | 36 | Very low | 40.1 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -144.3 | 96.8 | 159.8 | -164.5 | 9.2 | 0 | 0 | 0 | 109 | ||||
| 287 | W | 36.9 | Very low | 39.1 | Very low | 251 Ų | 251 | 156.2 Ų | 156.2 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | trans | -128.4 | 65.3 | 167.5 | -68.9 | 110.4 | 0 | 0 | 0 | 108.2 | ||||
| 288 | D | 38.7 | Very low | 38.5 | Very low | 140 Ų | 140 | 154 Ų | 154 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 89.4 | 163.2 | -158.3 | 10.9 | 0 | 0 | 0 | 111.6 | ||||
| 289 | R | 36 | Very low | 38.1 | Very low | 227 Ų | 227 | 161 Ų | 161 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -178.2 | 121.7 | 137.4 | -106.2 | 172.6 | -178.1 | 169.5 | 3 | 113.4 | ||||
| 290 | S | 37.6 | Very low | 37.7 | Very low | 94 Ų | 94 | 161.2 Ų | 161.2 | 66% | 0.657 | 82% | 0.822 | S | S | * | * | trans | 65.7 | 87.2 | 133.5 | -56.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 291 | H | 38.2 | Very low | 37.7 | Very low | 205 Ų | 205 | 165.1 Ų | 165.1 | 95% | 0.949 | 83% | 0.832 | S | S | * | * | trans | -141.2 | 121.9 | 132.3 | -83.8 | -64.9 | 0 | 0 | 0 | 111.2 | ||||
| 292 | R | 34 | Very low | 37.8 | Very low | 249 Ų | 249 | 168.1 Ų | 168.1 | 94% | 0.94 | 83% | 0.832 | S | S | * | * | trans | -104.1 | 117.5 | -178.7 | -174.8 | -169 | -74.7 | -148.5 | 0.4 | 107.6 | ||||
| 293 | A | 33.8 | Very low | 37.7 | Very low | 96 Ų | 96 | 164.8 Ų | 164.8 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -175.8 | 152.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 294 | P | 48.4 | Very low | 37.8 | Very low | 117 Ų | 117 | 169.2 Ų | 169.2 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -111.9 | 158.4 | -152.5 | 38.4 | -26.8 | 0 | 0 | 0 | 114.1 | ||||
| 295 | R | 32.8 | Very low | 38.2 | Very low | 255 Ų | 255 | 177.4 Ų | 177.4 | 96% | 0.962 | 84% | 0.838 | S | S | * | * | trans | -171.6 | 152.8 | 145.4 | -106.3 | 160.6 | -177.3 | 171.7 | 1.7 | 113.3 | ||||
| 296 | E | 32.6 | Very low | 38.5 | Very low | 174 Ų | 174 | 178.3 Ų | 178.3 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | -93.9 | 147.2 | -157.3 | -72.9 | 176.3 | 152.7 | 0 | 0 | 115.3 | ||||
| 297 | T | 32.1 | Very low | 39.1 | Very low | 134 Ų | 134 | 181.3 Ų | 181.3 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | 71.3 | 159.8 | 153.2 | 66.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 298 | P | 37.3 | Very low | 39.6 | Very low | 112 Ų | 112 | 180.7 Ų | 180.7 | 73% | 0.727 | 84% | 0.837 | S | S | * | * | cis | -122.6 | 157.8 | -9.4 | 23.4 | -1.4 | 0 | 0 | 0 | 114.6 | V300 | P298-V300 PolarHBondContact O-N 3.37Š| ||
| 299 | R | 40.3 | Very low | 40 | Very low | 248 Ų | 248 | 183.2 Ų | 183.2 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | trans | -67.5 | 105.8 | 178.8 | -68.1 | 176.1 | 174.9 | 175.2 | -1.9 | 111.9 | ||||
| 300 | V | 38.3 | Very low | 40.5 | Very low | 124 Ų | 124 | 175.9 Ų | 175.9 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -88.8 | 107.3 | 158.1 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | P298 R302 | P298-V300 PolarHBondContact O-N 3.37Å; V300-R302 VanDerWaalsContact C-N 3.35Å; V300-R302 PolarHBondContact O-N 2.99Å | ||
| 301 | R | 41.3 | Very low | 41 | Very low | 240 Ų | 240 | 179.4 Ų | 179.4 | 91% | 0.906 | 84% | 0.841 | S | S | * | * | trans | -65.5 | 91.6 | 172.1 | -76.7 | 179.4 | 163 | 179.8 | -4 | 109.2 | ||||
| 302 | R | 41.8 | Very low | 42.1 | Very low | 219 Ų | 219 | 171.3 Ų | 171.3 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -72.2 | 130.6 | 160.8 | -69.9 | -173.8 | 173.6 | -170.7 | -1.5 | 107.9 | V300 R304 | V300-R302 VanDerWaalsContact C-N 3.35Å; V300-R302 PolarHBondContact O-N 2.99Å; R302-R304 PolarHBondContact O-N 2.99Å; R302-R304 VanDerWaalsContact O-N 3.08Å | ||
| 303 | P | 40.4 | Very low | 44.2 | Very low | 122 Ų | 122 | 164.3 Ų | 164.3 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -60.6 | 120.1 | 173.2 | 24.4 | -29.5 | 0 | 0 | 0 | 107.2 | R305 | P303-R305 VanDerWaalsContact C-N 3.33Å; P303-R305 PolarHBondContact O-N 3.29Å | ||
| 304 | R | 40.8 | Very low | 46.7 | Very low | 240 Ų | 240 | 165.4 Ų | 165.4 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -56.1 | 105 | 165.5 | -79.5 | 178.4 | 173.7 | 166.3 | -3.1 | 105.3 | R302 T306 | R302-R304 PolarHBondContact O-N 2.99Å; R302-R304 VanDerWaalsContact O-N 3.08Å; R304-T306 VanDerWaalsContact C-N 3.33Å; R304-T306 PolarHBondContact O-N 2.97Å | ||
| 305 | R | 45.7 | Very low | 48.8 | Very low | 238 Ų | 238 | 160.2 Ų | 160.2 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | trans | -50.6 | 110.4 | 159.8 | -102.4 | 178.9 | 168.6 | 155.7 | -3.6 | 104.8 | P303 K307 | P303-R305 VanDerWaalsContact C-N 3.33Å; P303-R305 PolarHBondContact O-N 3.29Å; R305-K307 PolarHBondContact O-N 2.78Å | ||
| 306 | T | 45.2 | Very low | 51.5 | Low | 127 Ų | 127 | 154 Ų | 154 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -48.2 | 109.7 | 170.6 | -19.9 | 0 | 0 | 0 | 0 | 104.8 | R304 R308 | R304-T306 VanDerWaalsContact C-N 3.33Å; R304-T306 PolarHBondContact O-N 2.97Å; T306-R308 PolarHBondContact O-N 3.25Å | ||
| 307 | K | 48 | Very low | 54.4 | Low | 196 Ų | 196 | 151.1 Ų | 151.1 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -54.8 | 100.3 | 161.7 | -84.2 | -175.9 | 173.9 | -174.3 | 0 | 103.1 | R305 K309 | R305-K307 PolarHBondContact O-N 2.78Å; K307-K309 PolarHBondContact O-N 3.31Å | ||
| 308 | R | 48.4 | Very low | 57.3 | Low | 238 Ų | 238 | 145.9 Ų | 145.9 | 90% | 0.898 | 67% | 0.667 | S | S | * | * | trans | -55.2 | 102.6 | 155.1 | -73.2 | -178.6 | 178 | 163.8 | -2.7 | 102 | T306 A310 | T306-R308 PolarHBondContact O-N 3.25Å; R308-A310 PolarHBondContact O-N 2.95Å | ||
| 309 | K | 46 | Very low | 60.1 | Low | 193 Ų | 193 | 145.4 Ų | 145.4 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | trans | -53 | 108 | 160.3 | -78.8 | -178.6 | 171.6 | -174.4 | 0 | 102.4 | K307 D311 | K307-K309 PolarHBondContact O-N 3.31Å; K309-D311 VanDerWaalsContact C-N 3.28Å; K309-D311 PolarHBondContact O-N 3.27Å | ||
| 310 | A | 47.3 | Very low | 62.7 | Low | 73 Ų | 73 | 136.7 Ų | 136.7 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | trans | -59.1 | 110.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 103.2 | R308 G312 | R308-A310 PolarHBondContact O-N 2.95Å; A310-G312 PolarHBondContact O-N 3.45Å | ||
| 311 | D | 48.8 | Very low | 65.4 | Low | 168 Ų | 168 | 138.4 Ų | 138.4 | 90% | 0.898 | 63% | 0.631 | S | S | * | * | trans | -72.8 | 17.3 | 175.6 | -148.8 | 24 | 0 | 0 | 0 | 110.7 | K309 | K309-D311 VanDerWaalsContact C-N 3.28Å; K309-D311 PolarHBondContact O-N 3.27Å | ||
| 312 | G | 59.8 | Low | 67.9 | Low | 34 Ų | 34 | 128.6 Ų | 128.6 | 35% | 0.351 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -88.1 | 121.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | A310 | A310-G312 PolarHBondContact O-N 3.45Š|
| 313 | E | 79.4 | Confident | 70.4 | Confident | 102 Ų | 102 | 119.4 Ų | 119.4 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 143.2 | 170 | -59.6 | 180 | 137.2 | 0 | 0 | 109.9 | R316 G346 V347 | E313-R316 VanDerWaalsContact CD-CZ 3.45Å; E313-R316 IonicContact OE1-CZ 3.33Å; E313-R316 IonicContact OE1-NH1 3.88Å; E313-R316 IonicContact OE1-NH2 3.76Å; E313-R316 PolarHBondContact OE1-NH2 3.07Å; E313-R316 IonicContact OE2-CZ 3.39Å; E313-R316 IonicContact OE2-NE 2.72Å; E313-R316 PolarHBondContact OE2-NE 3.5Å; E313-R316 IonicContact OE2-NH2 2.91Å; E313-R316 PolarHBondContact OE2-NH2 2.98Å; E313-G346 CarbonylContact O-C 3.48Å; E313-G346 WeakPolarHBondContact O-CA 3.33Å; E313-V347 PolarHBondContact O-N 3.3Å |
| 314 | Y | 86.8 | Confident | 72.8 | Confident | 119 Ų | 119 | 113.8 Ų | 113.8 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | B | Isolated β-bridge | trans | -59.2 | 153.7 | 174.7 | -71.5 | -86.5 | 0 | 0 | 0 | 110.6 | R316 | Y314-R316 PolarHBondContact O-N 2.89Å; Y314-R316 VanDerWaalsContact O-N 3.09Å |
| 315 | C | 91.7 | Very high | 75.2 | Confident | 9 Ų | 9 | 109.2 Ų | 109.2 | 6% | 0.061 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -50.2 | 117.4 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | V347 C381 | C315-V347 PolarHBondContact N-O 2.85Å; C315-C381 WeakPolarHBondContact CA-SG 3.48Å; C315-C381 HydrophobicContact CB-CB 3.64Å; C315-C381 WeakPolarHBondContact CB-SG 2.99Å; C315-C381 WeakPolarHBondContact SG-CA 3.38Å; C315-C381 WeakPolarHBondContact SG-CB 3.02Å; C315-C381 CovalentContact SG-SG 2.03Å; C315-C381 PolarHBondContact SG-SG 3.01Å |
| 316 | R | 90.3 | Very high | 77.2 | Confident | 123 Ų | 123 | 104.2 Ų | 104.2 | 46% | 0.464 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 162.4 | -178.7 | 68.1 | -175.3 | -173.9 | 164.2 | 4.6 | 111.2 | E313 Y314 T318 R345 | E313-R316 VanDerWaalsContact CD-CZ 3.45Å; E313-R316 IonicContact OE1-CZ 3.33Å; E313-R316 IonicContact OE1-NH1 3.88Å; E313-R316 IonicContact OE1-NH2 3.76Å; E313-R316 PolarHBondContact OE1-NH2 3.07Å; E313-R316 IonicContact OE2-CZ 3.39Å; E313-R316 IonicContact OE2-NE 2.72Å; E313-R316 PolarHBondContact OE2-NE 3.5Å; E313-R316 IonicContact OE2-NH2 2.91Å; E313-R316 PolarHBondContact OE2-NH2 2.98Å; Y314-R316 PolarHBondContact O-N 2.89Å; Y314-R316 VanDerWaalsContact O-N 3.09Å; R316-T318 HydrophobicContact CG-CG2 4.07Å; R316-R345 PolarHBondContact N-O 3.27Å; R316-R345 PolarHBondContact O-N 3.47Å; R316-R345 VanDerWaalsContact O-O 3.1Å |
| 317 | R | 92.9 | Very high | 79 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.1 | 170.2 | -170.2 | 173.8 | 65.9 | 94.3 | 6.6 | 110.1 | F342 E343 V410 A411 C413 | R317-F342 HydrophobicContact CG-CB 3.89Å; R317-F342 HydrophobicContact CG-CG 4.41Å; R317-F342 VanDerWaalsContact NH1-CE2 3.31Å; R317-F342 VanDerWaalsContact NH1-CZ 3.27Å; R317-E343 CarbonylContact C-O 3.54Å; R317-E343 WeakPolarHBondContact CA-O 3.45Å; R317-V410 WeakPolarHBondContact CD-O 3.36Å; R317-V410 HydrophobicContact CG-CG1 4.11Å; R317-A411 WeakPolarHBondContact CD-O 3.43Å; R317-A411 PolarHBondContact NE-O 3.36Å; R317-C413 VanDerWaalsContact CA-SG 3.51Å |
| 318 | T | 93.6 | Very high | 80.7 | Confident | 23 Ų | 23 | 93.7 Ų | 93.7 | 14% | 0.141 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 157.8 | 177.3 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | R316 L320 F342 E343 R345 | R316-T318 HydrophobicContact CG-CG2 4.07Å; T318-L320 PolarHBondContact O-N 3.35Å; T318-F342 VanDerWaalsContact O-CA 3.3Å; T318-F342 WeakPolarHBondContact O-CA 3.27Å; T318-F342 WeakPolarHBondContact O-CB 3.5Å; T318-E343 PolarHBondContact N-O 2.99Å; T318-E343 PolarHBondContact O-N 3.42Å; T318-E343 WeakPolarHBondContact OG1-CG 3.39Å; T318-E343 PolarHBondContact OG1-O 3.5Å; T318-E343 PolarHBondContact OG1-OE1 3.1Å; T318-R345 HydrophobicContact CG2-CB 4.16Å |
| 319 | S | 95.4 | Very high | 82.5 | Confident | 102 Ų | 102 | 83.7 Ų | 83.7 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | trans | -71.6 | 127.1 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | L | 95 | Very high | 84.4 | Confident | 66 Ų | 66 | 78.9 Ų | 78.9 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | trans | -138 | 126.7 | 170.3 | 175.8 | 66 | 0 | 0 | 0 | 107.2 | T318 V322 D340 A341 F342 E343 | T318-L320 PolarHBondContact O-N 3.35Å; L320-V322 HydrophobicContact CD2-CG2 4.29Å; L320-V322 HydrophobicContact CG-CG2 4.27Å; L320-D340 CarbonylContact O-C 3.37Å; L320-A341 PolarHBondContact O-N 3.33Å; L320-F342 PolarHBondContact O-N 2.91Å; L320-E343 HydrophobicContact CB-CB 4.2Å; L320-E343 HydrophobicContact CB-CG 4.24Å; L320-E343 HydrophobicContact CD2-CB 4.03Å | ||
| 321 | R | 95.5 | Very high | 86.3 | Confident | 159 Ų | 159 | 78.9 Ų | 78.9 | 60% | 0.6 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133 | 170 | -81.2 | -165.8 | -60.1 | 156.2 | 1 | 109.2 | E338 Y339 D340 | R321-E338 IonicContact NH1-OE1 3.2Å; R321-E338 PolarHBondContact NH1-OE1 3.41Å; R321-E338 IonicContact NH1-OE2 3.15Å; R321-Y339 WeakPolarHBondContact CA-O 3.39Å; R321-D340 WeakPolarHBondContact CD-OD1 3.36Å; R321-D340 WeakPolarHBondContact CG-OD1 3.4Å |
| 322 | V | 93.1 | Very high | 88 | Confident | 35 Ų | 35 | 71 Ų | 71 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.1 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 108.1 | L320 E338 Y339 A341 | L320-V322 HydrophobicContact CD2-CG2 4.29Å; L320-V322 HydrophobicContact CG-CG2 4.27Å; V322-E338 CarbonylContact O-C 3.51Å; V322-E338 WeakPolarHBondContact O-CA 3.39Å; V322-E338 WeakPolarHBondContact O-CB 3.12Å; V322-Y339 HydrophobicContact CB-CD1 4.28Å; V322-Y339 HydrophobicContact CB-CE1 3.79Å; V322-Y339 HydrophobicContact CG1-CE1 3.91Å; V322-Y339 PolarHBondContact N-O 3.48Å; V322-Y339 PolarHBondContact O-N 2.63Å; V322-A341 HydrophobicContact CB-CB 4.32Å; V322-A341 HydrophobicContact CG2-CB 3.6Å |
| 323 | S | 94.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.2 | 165.7 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | K325 D326 P337 | S323-K325 PolarHBondContact O-N 3.44Å; S323-K325 VanDerWaalsContact O-N 3.16Å; S323-K325 PolarHBondContact OG-N 2.74Å; S323-D326 WeakPolarHBondContact CB-OD2 3.42Å; S323-D326 PolarHBondContact O-N 3.24Å; S323-D326 VanDerWaalsContact O-N 3.08Å; S323-P337 PolarHBondContact OG-O 2.72Å |
| 324 | F | 90.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.2 | 174.7 | -66.4 | -69.1 | 0 | 0 | 0 | 112.8 | D326 I327 G328 W329 N330 I333 P336 P337 Y339 I389 M408 | F324-D326 VanDerWaalsContact C-N 3.35Å; F324-I327 HydrophobicContact CD1-CD1 4.11Å; F324-I327 WeakPolarHBondContact O-CG1 3.36Å; F324-G328 PolarHBondContact O-N 2.04Å; F324-W329 HydrophobicContact CB-CB 4.24Å; F324-W329 HydrophobicContact CD1-CB 4.46Å; F324-W329 HydrophobicContact CD1-CE3 4Å; F324-W329 HydrophobicContact CE1-CE3 4.3Å; F324-W329 PolarHBondContact O-N 2.83Å; F324-N330 PolarHBondContact O-N 2.98Å; F324-I333 HydrophobicContact CB-CD1 4.21Å; F324-I333 HydrophobicContact CD1-CD1 3.18Å; F324-I333 HydrophobicContact CD2-CD1 4.12Å; F324-I333 HydrophobicContact CD2-CG2 3.87Å; F324-I333 HydrophobicContact CE1-CD1 3.39Å; F324-I333 HydrophobicContact CE2-CD1 4.27Å; F324-I333 HydrophobicContact CE2-CG2 4.1Å; F324-I333 HydrophobicContact CG-CB 4.42Å; F324-I333 HydrophobicContact CG-CD1 3.57Å; F324-I333 HydrophobicContact CG-CG2 4.2Å; F324-I333 HydrophobicContact CZ-CD1 3.93Å; F324-P336 WeakPolarHBondContact CD2-O 3.35Å; F324-P336 HydrophobicContact CE2-CG 4.26Å; F324-P336 WeakPolarHBondContact CE2-O 3.34Å; F324-P337 PolarHBondContact N-O 3.15Å; F324-P337 VanDerWaalsContact N-O 3.11Å; F324-Y339 HydrophobicContact CE1-CE1 4.03Å; F324-Y339 AromaticContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CE1 4.16Å; F324-Y339 AromaticContact CZ-CD1 3.7Å; F324-Y339 HydrophobicContact CZ-CD1 3.7Å; F324-Y339 AromaticContact CZ-CE1 3.58Å; F324-Y339 HydrophobicContact CZ-CE1 3.58Å; F324-I389 HydrophobicContact CZ-CD1 4.46Å; F324-M408 HydrophobicContact CE1-CE 4.22Å; F324-M408 HydrophobicContact CZ-CE 4.12Å |
| 325 | K | 90.7 | Very high | 90.5 | Very high | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -36.2 | 173.1 | -173 | -178.3 | 174.6 | -172.1 | 0 | 112 | S323 I327 G328 N330 | S323-K325 PolarHBondContact O-N 3.44Å; S323-K325 VanDerWaalsContact O-N 3.16Å; S323-K325 PolarHBondContact OG-N 2.74Å; K325-I327 PolarHBondContact O-N 3.25Å; K325-G328 PolarHBondContact O-N 2.99Å; K325-G328 VanDerWaalsContact O-N 3.11Å; K325-N330 HydrophobicContact CB-CB 4.18Å |
| 326 | D | 88.6 | Confident | 90.6 | Very high | 133 Ų | 133 | 62.5 Ų | 62.5 | 71% | 0.711 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24 | -176.2 | -59.6 | -21.6 | 0 | 0 | 0 | 111.8 | S323 F324 | S323-D326 WeakPolarHBondContact CB-OD2 3.42Å; S323-D326 PolarHBondContact O-N 3.24Å; S323-D326 VanDerWaalsContact O-N 3.08Å; F324-D326 VanDerWaalsContact C-N 3.35Å |
| 327 | I | 83.8 | Confident | 90.7 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 29% | 0.292 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 9.7 | 175.4 | 62.6 | 175.9 | 0 | 0 | 0 | 113.2 | L61 F324 K325 W329 | L61-I327 HydrophobicContact CD2-CG2 4.46Å; F324-I327 HydrophobicContact CD1-CD1 4.11Å; F324-I327 WeakPolarHBondContact O-CG1 3.36Å; K325-I327 PolarHBondContact O-N 3.25Å; I327-W329 HydrophobicContact CD1-CD2 3.55Å; I327-W329 HydrophobicContact CD1-CE3 3.47Å; I327-W329 VanDerWaalsContact CD1-CE3 3.47Å; I327-W329 HydrophobicContact CD1-CG 4.08Å; I327-W329 HydrophobicContact CD1-CH2 4.09Å; I327-W329 HydrophobicContact CD1-CZ2 4.17Å; I327-W329 HydrophobicContact CD1-CZ3 3.73Å; I327-W329 HydrophobicContact CG1-CB 4.26Å; I327-W329 HydrophobicContact CG1-CD2 3.96Å; I327-W329 HydrophobicContact CG1-CE3 4.31Å; I327-W329 HydrophobicContact CG1-CG 3.95Å; I327-W329 PolarHBondContact O-N 2.82Å; I327-W329 PolarHBondContact O-NE1 3.19Å |
| 328 | G | 83.3 | Confident | 90.8 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 18.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F324 K325 | F324-G328 PolarHBondContact O-N 2.04Å; K325-G328 PolarHBondContact O-N 2.99Å; K325-G328 VanDerWaalsContact O-N 3.11Å |
| 329 | W | 86.6 | Confident | 90.8 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 11% | 0.106 | 33% | 0.333 | C | S | . | . | trans | -97.6 | 0.2 | -177.2 | -65.7 | 5.1 | 0 | 0 | 0 | 114.1 | K65 F68 F324 I327 S331 W332 I333 | K65-W329 VanDerWaalsContact CA-CZ2 3.5Å; K65-W329 HydrophobicContact CB-CZ2 3.79Å; K65-W329 HydrophobicContact CG-CZ2 4.36Å; F68-W329 HydrophobicContact CB-CH2 3.45Å; F68-W329 VanDerWaalsContact CB-CH2 3.45Å; F68-W329 HydrophobicContact CB-CZ2 4.19Å; F68-W329 HydrophobicContact CB-CZ3 3.95Å; F68-W329 HydrophobicContact CD1-CE3 4.41Å; F68-W329 HydrophobicContact CD1-CH2 4.23Å; F68-W329 AromaticContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD1-CZ3 3.92Å; F68-W329 HydrophobicContact CD2-CE3 4.18Å; F68-W329 AromaticContact CD2-CH2 3.5Å; F68-W329 HydrophobicContact CD2-CH2 3.5Å; F68-W329 AromaticContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CD2-CZ3 3.13Å; F68-W329 HydrophobicContact CE1-CZ3 4.3Å; F68-W329 HydrophobicContact CE2-CE3 4.16Å; F68-W329 HydrophobicContact CE2-CH2 4.27Å; F68-W329 AromaticContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CE2-CZ3 3.44Å; F68-W329 VanDerWaalsContact CE2-CZ3 3.44Å; F68-W329 HydrophobicContact CG-CE3 4.26Å; F68-W329 AromaticContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CH2 3.44Å; F68-W329 VanDerWaalsContact CG-CH2 3.44Å; F68-W329 HydrophobicContact CG-CZ2 4.41Å; F68-W329 AromaticContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CG-CZ3 3.36Å; F68-W329 HydrophobicContact CZ-CE3 4.4Å; F68-W329 HydrophobicContact CZ-CZ3 4.05Å; F324-W329 HydrophobicContact CB-CB 4.24Å; F324-W329 HydrophobicContact CD1-CB 4.46Å; F324-W329 HydrophobicContact CD1-CE3 4Å; F324-W329 HydrophobicContact CE1-CE3 4.3Å; F324-W329 PolarHBondContact O-N 2.83Å; I327-W329 HydrophobicContact CD1-CD2 3.55Å; I327-W329 HydrophobicContact CD1-CE3 3.47Å; I327-W329 VanDerWaalsContact CD1-CE3 3.47Å; I327-W329 HydrophobicContact CD1-CG 4.08Å; I327-W329 HydrophobicContact CD1-CH2 4.09Å; I327-W329 HydrophobicContact CD1-CZ2 4.17Å; I327-W329 HydrophobicContact CD1-CZ3 3.73Å; I327-W329 HydrophobicContact CG1-CB 4.26Å; I327-W329 HydrophobicContact CG1-CD2 3.96Å; I327-W329 HydrophobicContact CG1-CE3 4.31Å; I327-W329 HydrophobicContact CG1-CG 3.95Å; I327-W329 PolarHBondContact O-N 2.82Å; I327-W329 PolarHBondContact O-NE1 3.19Å; W329-S331 PolarHBondContact O-N 3.42Å; W329-W332 HydrophobicContact CB-CZ2 3.74Å; W329-W332 AromaticContact CD1-NE1 3.94Å; W329-W332 HydrophobicContact CD2-CH2 4.45Å; W329-W332 AromaticContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CE3-CH2 4.11Å; W329-W332 AromaticContact CE3-CZ2 3.67Å; W329-W332 HydrophobicContact CE3-CZ2 3.67Å; W329-W332 AromaticContact CG-CE2 3.96Å; W329-W332 AromaticContact CG-CZ2 3.62Å; W329-W332 HydrophobicContact CG-CZ2 3.62Å; W329-W332 AromaticContact CG-NE1 3.71Å; W329-W332 PolarHBondContact O-N 3.31Å; W329-I333 HydrophobicContact CB-CD1 3.97Å; W329-I333 HydrophobicContact CB-CG1 4.4Å; W329-I333 HydrophobicContact CE3-CD1 3.88Å; W329-I333 PolarHBondContact O-N 2.9Å | ||
| 330 | N | 86 | Confident | 90.8 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -4.2 | 178.3 | 68.4 | -76.9 | 0 | 0 | 0 | 114.7 | F324 K325 | F324-N330 PolarHBondContact O-N 2.98Å; K325-N330 HydrophobicContact CB-CB 4.18Å |
| 331 | S | 85.5 | Confident | 90.8 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -35.7 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | W329 | W329-S331 PolarHBondContact O-N 3.42Š|
| 332 | W | 86.3 | Confident | 90.8 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -28.2 | -175.1 | 63.1 | -85.6 | 0 | 0 | 0 | 112.7 | F68 L72 V77 W329 Y393 K394 | F68-W332 AromaticContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CH2 3.54Å; F68-W332 HydrophobicContact CD1-CZ2 4.09Å; F68-W332 HydrophobicContact CD1-CZ3 4.41Å; F68-W332 AromaticContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CH2 3.04Å; F68-W332 HydrophobicContact CE1-CZ2 4.01Å; F68-W332 AromaticContact CE1-CZ3 3.7Å; F68-W332 HydrophobicContact CE1-CZ3 3.7Å; F68-W332 AromaticContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CH2 3.72Å; F68-W332 HydrophobicContact CZ-CZ3 4.41Å; L72-W332 HydrophobicContact CD1-CE3 4.5Å; L72-W332 HydrophobicContact CD1-CH2 4.15Å; L72-W332 HydrophobicContact CD1-CZ3 3.55Å; V77-W332 VanDerWaalsContact CG1-CD1 3.43Å; V77-W332 HydrophobicContact CG1-CG 4.04Å; W329-W332 HydrophobicContact CB-CZ2 3.74Å; W329-W332 AromaticContact CD1-NE1 3.94Å; W329-W332 HydrophobicContact CD2-CH2 4.45Å; W329-W332 AromaticContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CD2-CZ2 3.58Å; W329-W332 HydrophobicContact CE3-CH2 4.11Å; W329-W332 AromaticContact CE3-CZ2 3.67Å; W329-W332 HydrophobicContact CE3-CZ2 3.67Å; W329-W332 AromaticContact CG-CE2 3.96Å; W329-W332 AromaticContact CG-CZ2 3.62Å; W329-W332 HydrophobicContact CG-CZ2 3.62Å; W329-W332 AromaticContact CG-NE1 3.71Å; W329-W332 PolarHBondContact O-N 3.31Å; W332-Y393 HydrophobicContact CE3-CD2 4.44Å; W332-Y393 HydrophobicContact CZ3-CG 4.42Å; W332-Y393 CarbonylContact O-C 3.58Å; W332-Y393 WeakPolarHBondContact O-CA 3.2Å; W332-Y393 WeakPolarHBondContact O-CB 3.32Å; W332-K394 PolarHBondContact O-N 3.03Å |
| 333 | I | 90.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 122.3 | 165.7 | -60.6 | 177 | 0 | 0 | 0 | 109.1 | F68 F324 W329 V391 | F68-I333 HydrophobicContact CZ-CD1 4.31Å; F324-I333 HydrophobicContact CB-CD1 4.21Å; F324-I333 HydrophobicContact CD1-CD1 3.18Å; F324-I333 HydrophobicContact CD2-CD1 4.12Å; F324-I333 HydrophobicContact CD2-CG2 3.87Å; F324-I333 HydrophobicContact CE1-CD1 3.39Å; F324-I333 HydrophobicContact CE2-CD1 4.27Å; F324-I333 HydrophobicContact CE2-CG2 4.1Å; F324-I333 HydrophobicContact CG-CB 4.42Å; F324-I333 HydrophobicContact CG-CD1 3.57Å; F324-I333 HydrophobicContact CG-CG2 4.2Å; F324-I333 HydrophobicContact CZ-CD1 3.93Å; W329-I333 HydrophobicContact CB-CD1 3.97Å; W329-I333 HydrophobicContact CB-CG1 4.4Å; W329-I333 HydrophobicContact CE3-CD1 3.88Å; W329-I333 PolarHBondContact O-N 2.9Å; I333-V391 HydrophobicContact CG2-CG1 4.15Å |
| 334 | V | 92.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -41.1 | -179 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | P86 M392 K394 I399 | P86-V334 HydrophobicContact CG-CG1 3.78Å; V334-M392 WeakPolarHBondContact CA-O 3.43Å; V334-M392 HydrophobicContact CB-CE 3.96Å; V334-M392 HydrophobicContact CB-CG 4.2Å; V334-M392 HydrophobicContact CG1-CE 3.6Å; V334-M392 PolarHBondContact N-O 2.93Å; V334-K394 HydrophobicContact CG2-CD 4.35Å; V334-K394 HydrophobicContact CG2-CG 3.81Å; V334-I399 HydrophobicContact CG2-CD1 4.15Å |
| 335 | A | 94 | Very high | 91 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y94 M392 | Y94-A335 HydrophobicContact CD1-CB 4.13Å; Y94-A335 HydrophobicContact CD2-CB 4.37Å; Y94-A335 HydrophobicContact CE1-CB 3.74Å; Y94-A335 HydrophobicContact CE2-CB 3.97Å; Y94-A335 HydrophobicContact CG-CB 4.44Å; A335-M392 HydrophobicContact CB-CB 4.17Å; A335-M392 HydrophobicContact CB-CE 3.65Å; A335-M392 PolarHBondContact N-O 3.28Å; A335-M392 PolarHBondContact O-N 3.47Å |
| 336 | P | 94.4 | Very high | 91 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 13% | 0.13 | 31% | 0.308 | C | S | . | . | cis | -72.8 | 156.5 | -8.8 | 32 | -32.3 | 0 | 0 | 0 | 110.6 | Y94 F324 E338 T390 | Y94-P336 WeakPolarHBondContact OH-CB 3.33Å; Y94-P336 VanDerWaalsContact OH-CD 3.24Å; Y94-P336 WeakPolarHBondContact OH-CD 3.35Å; F324-P336 WeakPolarHBondContact CD2-O 3.35Å; F324-P336 HydrophobicContact CE2-CG 4.26Å; F324-P336 WeakPolarHBondContact CE2-O 3.34Å; P336-E338 VanDerWaalsContact C-N 3.34Å; P336-E338 WeakPolarHBondContact CB-O 3.3Å; P336-T390 WeakPolarHBondContact CD-O 2.93Å | ||
| 337 | P | 92.3 | Very high | 91 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -73.5 | -28.2 | 174.4 | 28.8 | -34.2 | 0 | 0 | 0 | 112.8 | S323 F324 | S323-P337 PolarHBondContact OG-O 2.72Å; F324-P337 PolarHBondContact N-O 3.15Å; F324-P337 VanDerWaalsContact N-O 3.11Å |
| 338 | E | 94.4 | Very high | 91.3 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155.6 | 175.9 | 62.6 | 174.6 | -141.4 | 0 | 0 | 110.3 | R321 V322 P336 | R321-E338 IonicContact NH1-OE1 3.2Å; R321-E338 PolarHBondContact NH1-OE1 3.41Å; R321-E338 IonicContact NH1-OE2 3.15Å; V322-E338 CarbonylContact O-C 3.51Å; V322-E338 WeakPolarHBondContact O-CA 3.39Å; V322-E338 WeakPolarHBondContact O-CB 3.12Å; P336-E338 VanDerWaalsContact C-N 3.34Å; P336-E338 WeakPolarHBondContact CB-O 3.3Å |
| 339 | Y | 93.9 | Very high | 91.4 | Very high | 36 Ų | 36 | 48 Ų | 48 | 14% | 0.141 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 158.9 | 176.2 | 75.4 | -77.7 | 0 | 0 | 0 | 112.4 | R321 V322 F324 A341 I389 M408 | R321-Y339 WeakPolarHBondContact CA-O 3.39Å; V322-Y339 HydrophobicContact CB-CD1 4.28Å; V322-Y339 HydrophobicContact CB-CE1 3.79Å; V322-Y339 HydrophobicContact CG1-CE1 3.91Å; V322-Y339 PolarHBondContact N-O 3.48Å; V322-Y339 PolarHBondContact O-N 2.63Å; F324-Y339 HydrophobicContact CE1-CE1 4.03Å; F324-Y339 AromaticContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CD1 3.81Å; F324-Y339 HydrophobicContact CE2-CE1 4.16Å; F324-Y339 AromaticContact CZ-CD1 3.7Å; F324-Y339 HydrophobicContact CZ-CD1 3.7Å; F324-Y339 AromaticContact CZ-CE1 3.58Å; F324-Y339 HydrophobicContact CZ-CE1 3.58Å; Y339-A341 HydrophobicContact CD2-CB 4.22Å; Y339-A341 HydrophobicContact CE2-CB 3.51Å; Y339-A341 PolarHBondContact O-N 3.28Å; Y339-I389 HydrophobicContact CD1-CD1 4.28Å; Y339-I389 HydrophobicContact CD2-CD1 4.14Å; Y339-I389 HydrophobicContact CD2-CG2 4.24Å; Y339-I389 HydrophobicContact CE1-CD1 4.46Å; Y339-I389 HydrophobicContact CE2-CD1 4.31Å; Y339-I389 HydrophobicContact CG-CD1 4.12Å; Y339-M408 HydrophobicContact CE1-CE 4.04Å; Y339-M408 HydrophobicContact CE2-CB 4.41Å; Y339-M408 HydrophobicContact CE2-CE 4.49Å; Y339-M408 VanDerWaalsContact CE2-O 3.23Å; Y339-M408 WeakPolarHBondContact CE2-O 3.36Å; Y339-M408 WeakPolarHBondContact OH-CE 3.35Å; Y339-M408 PolarHBondContact OH-O 2.71Å |
| 340 | D | 95 | Very high | 91.1 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 94.2 | 173.4 | -63.3 | -53.8 | 0 | 0 | 0 | 109.9 | L320 R321 F342 K409 | L320-D340 CarbonylContact O-C 3.37Å; R321-D340 WeakPolarHBondContact CD-OD1 3.36Å; R321-D340 WeakPolarHBondContact CG-OD1 3.4Å; D340-F342 HydrophobicContact CB-CD2 4.3Å; D340-F342 HydrophobicContact CB-CE1 4.4Å; D340-F342 HydrophobicContact CB-CE2 3.65Å; D340-F342 HydrophobicContact CB-CZ 3.7Å; D340-F342 WeakPolarHBondContact O-CD2 3.04Å; D340-F342 WeakPolarHBondContact O-CE2 3.39Å; D340-K409 WeakPolarHBondContact O-CB 3.44Å |
| 341 | A | 94.8 | Very high | 91 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | trans | -75.2 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L320 V322 Y339 K409 V410 | L320-A341 PolarHBondContact O-N 3.33Å; V322-A341 HydrophobicContact CB-CB 4.32Å; V322-A341 HydrophobicContact CG2-CB 3.6Å; Y339-A341 HydrophobicContact CD2-CB 4.22Å; Y339-A341 HydrophobicContact CE2-CB 3.51Å; Y339-A341 PolarHBondContact O-N 3.28Å; A341-K409 CarbonylContact O-C 3.57Å; A341-K409 VanDerWaalsContact O-CA 3.27Å; A341-K409 WeakPolarHBondContact O-CA 3.3Å; A341-V410 PolarHBondContact O-N 2.98Å | ||
| 342 | F | 96.3 | Very high | 90.7 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 23% | 0.228 | 26% | 0.259 | C | S | . | . | trans | 58.2 | 164 | -167.7 | -51.5 | -81.7 | 0 | 0 | 0 | 113 | R317 T318 L320 D340 V410 | R317-F342 HydrophobicContact CG-CB 3.89Å; R317-F342 HydrophobicContact CG-CG 4.41Å; R317-F342 VanDerWaalsContact NH1-CE2 3.31Å; R317-F342 VanDerWaalsContact NH1-CZ 3.27Å; T318-F342 VanDerWaalsContact O-CA 3.3Å; T318-F342 WeakPolarHBondContact O-CA 3.27Å; T318-F342 WeakPolarHBondContact O-CB 3.5Å; L320-F342 PolarHBondContact O-N 2.91Å; D340-F342 HydrophobicContact CB-CD2 4.3Å; D340-F342 HydrophobicContact CB-CE1 4.4Å; D340-F342 HydrophobicContact CB-CE2 3.65Å; D340-F342 HydrophobicContact CB-CZ 3.7Å; D340-F342 WeakPolarHBondContact O-CD2 3.04Å; D340-F342 WeakPolarHBondContact O-CE2 3.39Å; F342-V410 HydrophobicContact CB-CB 4.04Å | ||
| 343 | E | 95.3 | Very high | 90.2 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 161.9 | 176.8 | 69.4 | 179.2 | -177.3 | 0 | 0 | 110.4 | R317 T318 L320 | R317-E343 CarbonylContact C-O 3.54Å; R317-E343 WeakPolarHBondContact CA-O 3.45Å; T318-E343 PolarHBondContact N-O 2.99Å; T318-E343 PolarHBondContact O-N 3.42Å; T318-E343 WeakPolarHBondContact OG1-CG 3.39Å; T318-E343 PolarHBondContact OG1-O 3.5Å; T318-E343 PolarHBondContact OG1-OE1 3.1Å; L320-E343 HydrophobicContact CB-CB 4.2Å; L320-E343 HydrophobicContact CB-CG 4.24Å; L320-E343 HydrophobicContact CD2-CB 4.03Å |
| 344 | C | 93.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.6 | 171.3 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | P383 V410 C413 | C344-P383 WeakPolarHBondContact SG-CA 3.4Å; C344-V410 VanDerWaalsContact SG-CG1 3.56Å; C344-C413 WeakPolarHBondContact CA-SG 3.37Å; C344-C413 HydrophobicContact CB-CB 3.85Å; C344-C413 WeakPolarHBondContact CB-SG 3.48Å; C344-C413 VanDerWaalsContact SG-CA 3.53Å; C344-C413 WeakPolarHBondContact SG-CB 2.99Å; C344-C413 CovalentContact SG-SG 2.04Å; C344-C413 PolarHBondContact SG-SG 3.28Å |
| 345 | R | 93.3 | Very high | 88.1 | Confident | 162 Ų | 162 | 64.6 Ų | 64.6 | 61% | 0.611 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146.8 | -178.7 | -169.3 | 173.9 | 176.4 | 171.9 | -0.7 | 110.8 | R316 T318 | R316-R345 PolarHBondContact N-O 3.27Å; R316-R345 PolarHBondContact O-N 3.47Å; R316-R345 VanDerWaalsContact O-O 3.1Å; T318-R345 HydrophobicContact CG2-CB 4.16Å |
| 346 | G | 90.3 | Very high | 87 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 125.7 | -174.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E313 | E313-G346 CarbonylContact O-C 3.48Å; E313-G346 WeakPolarHBondContact O-CA 3.33Å |
| 347 | V | 88.3 | Confident | 86.4 | Confident | 45 Ų | 45 | 66 Ų | 66 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -114 | 138.5 | -175.9 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | E313 C315 S349 M378 | E313-V347 PolarHBondContact O-N 3.3Å; C315-V347 PolarHBondContact N-O 2.85Å; V347-S349 PolarHBondContact O-N 2.96Å; V347-M378 HydrophobicContact CB-CE 3.83Å; V347-M378 HydrophobicContact CG2-CE 4.49Å |
| 348 | C | 90.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 69.1 | 174.4 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | L352 T366 M378 A379 C415 | C348-L352 HydrophobicContact CB-CD2 3.97Å; C348-T366 VanDerWaalsContact O-CG2 3.25Å; C348-T366 WeakPolarHBondContact O-CG2 3.44Å; C348-M378 WeakPolarHBondContact O-CE 3.49Å; C348-A379 HydrophobicContact CB-CB 3.89Å; C348-A379 WeakPolarHBondContact CB-O 3.13Å; C348-C415 HydrophobicContact CB-CB 3.77Å; C348-C415 WeakPolarHBondContact CB-SG 3.46Å; C348-C415 VanDerWaalsContact SG-CA 3.5Å; C348-C415 WeakPolarHBondContact SG-CB 3.15Å; C348-C415 CovalentContact SG-SG 2.03Å; C348-C415 PolarHBondContact SG-SG 3.16Å |
| 349 | S | 85.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 142.3 | -179.7 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | V347 P351 M378 | V347-S349 PolarHBondContact O-N 2.96Å; S349-P351 CarbonylContact O-C 3.59Å; S349-M378 VanDerWaalsContact CA-CE 3.44Å; S349-M378 VanDerWaalsContact N-CE 3.3Å |
| 350 | Y | 80.8 | Confident | 85.1 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 48% | 0.482 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -67 | 137.1 | 175.5 | -170.5 | -91.3 | 0 | 0 | 0 | 111.8 | L367 L370 | Y350-L367 HydrophobicContact CD1-CD2 4.27Å; Y350-L367 HydrophobicContact CD2-CD2 3.48Å; Y350-L367 VanDerWaalsContact CD2-CD2 3.48Å; Y350-L367 HydrophobicContact CD2-CG 4.02Å; Y350-L367 HydrophobicContact CE1-CD2 4.33Å; Y350-L367 HydrophobicContact CE2-CD2 3.58Å; Y350-L367 HydrophobicContact CE2-CG 4.19Å; Y350-L367 HydrophobicContact CG-CD2 3.85Å; Y350-L370 HydrophobicContact CD1-CD2 4.39Å |
| 351 | P | 82.3 | Confident | 84.8 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | S | Bend | cis | -76.3 | 130.1 | 1.3 | 31.1 | -33.3 | 0 | 0 | 0 | 112.2 | S349 | S349-P351 CarbonylContact O-C 3.59Š|
| 352 | L | 80.6 | Confident | 84.5 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 132.5 | 170 | -59.3 | 174.4 | 0 | 0 | 0 | 107.7 | C348 P358 I363 T366 C415 | C348-L352 HydrophobicContact CB-CD2 3.97Å; L352-P358 HydrophobicContact CB-CB 4.04Å; L352-P358 HydrophobicContact CB-CG 3.8Å; L352-P358 HydrophobicContact CD1-CB 3.56Å; L352-P358 HydrophobicContact CD1-CG 4.18Å; L352-P358 HydrophobicContact CG-CB 4.36Å; L352-I363 HydrophobicContact CD1-CG1 4.04Å; L352-T366 HydrophobicContact CD2-CG2 4.42Å; L352-T366 HydrophobicContact CG-CG2 4.48Å; L352-C415 HydrophobicContact CD2-CB 4.45Å |
| 353 | T | 74.5 | Confident | 84.1 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 157.5 | 178.8 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | E355 S356 P358 | T353-E355 PolarHBondContact O-N 3.08Å; T353-S356 PolarHBondContact N-OG 3.43Å; T353-S356 PolarHBondContact O-N 3.1Å; T353-S356 PolarHBondContact O-OG 2.99Å; T353-P358 WeakPolarHBondContact O-CD 3.4Å |
| 354 | D | 68.6 | Low | 83.8 | Confident | 147 Ų | 147 | 69 Ų | 69 | 79% | 0.786 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -59.6 | -26 | 175 | -64.8 | -25.8 | 0 | 0 | 0 | 112.1 | S356 T357 | D354-S356 PolarHBondContact O-N 2.91Å; D354-T357 WeakPolarHBondContact O-CA 3.35Å; D354-T357 VanDerWaalsContact O-CG2 3.3Å; D354-T357 WeakPolarHBondContact O-CG2 3.15Å; D354-T357 PolarHBondContact O-N 3.34Å |
| 355 | E | 70.4 | Confident | 83.6 | Confident | 175 Ų | 175 | 69.6 Ų | 69.6 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -61.1 | -25.8 | 173 | -60.8 | -178.7 | 168 | 0 | 0 | 113.3 | T353 | T353-E355 PolarHBondContact O-N 3.08Š|
| 356 | S | 72.4 | Confident | 83.3 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -93.7 | 4.7 | 175.1 | 68.3 | 0 | 0 | 0 | 0 | 113.2 | T353 D354 P358 G414 C415 | T353-S356 PolarHBondContact N-OG 3.43Å; T353-S356 PolarHBondContact O-N 3.1Å; T353-S356 PolarHBondContact O-OG 2.99Å; D354-S356 PolarHBondContact O-N 2.91Å; S356-P358 VanDerWaalsContact C-CD 3.44Å; S356-P358 VanDerWaalsContact C-N 3.26Å; S356-G414 CarbonylContact O-C 3.34Å; S356-G414 WeakPolarHBondContact O-CA 3.45Å; S356-C415 PolarHBondContact O-N 3.19Å |
| 357 | T | 80.4 | Confident | 83.3 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | trans | 35.5 | 50.9 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | D354 I384 C413 R416 | D354-T357 WeakPolarHBondContact O-CA 3.35Å; D354-T357 VanDerWaalsContact O-CG2 3.3Å; D354-T357 WeakPolarHBondContact O-CG2 3.15Å; D354-T357 PolarHBondContact O-N 3.34Å; T357-I384 HydrophobicContact CG2-CD1 4.4Å; T357-I384 WeakPolarHBondContact OG1-CD1 3.26Å; T357-C413 PolarHBondContact OG1-O 2.84Å; T357-R416 PolarHBondContact O-NH1 3.19Å | ||
| 358 | P | 83.5 | Confident | 83.4 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -69.3 | 141 | -166.4 | 31.4 | -38.6 | 0 | 0 | 0 | 111.4 | L352 T353 S356 A362 I363 C415 | L352-P358 HydrophobicContact CB-CB 4.04Å; L352-P358 HydrophobicContact CB-CG 3.8Å; L352-P358 HydrophobicContact CD1-CB 3.56Å; L352-P358 HydrophobicContact CD1-CG 4.18Å; L352-P358 HydrophobicContact CG-CB 4.36Å; T353-P358 WeakPolarHBondContact O-CD 3.4Å; S356-P358 VanDerWaalsContact C-CD 3.44Å; S356-P358 VanDerWaalsContact C-N 3.26Å; P358-A362 HydrophobicContact CB-CB 4.43Å; P358-I363 HydrophobicContact CB-CG1 3.99Å; P358-I363 HydrophobicContact CG-CD1 4.16Å; P358-I363 HydrophobicContact CG-CG1 3.98Å; P358-C415 HydrophobicContact CB-CB 4.15Å | ||
| 359 | S | 85.2 | Confident | 83.5 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 22% | 0.217 | 34% | 0.342 | C | S | . | . | trans | -67.7 | 156.3 | 170.2 | 78.3 | 0 | 0 | 0 | 0 | 110.5 | H361 A362 I363 C415 | S359-H361 PolarHBondContact O-N 2.03Å; S359-H361 PolarHBondContact OG-N 2.03Å; S359-A362 WeakPolarHBondContact O-CB 3.26Å; S359-A362 PolarHBondContact O-N 3.46Å; S359-A362 WeakPolarHBondContact OG-CB 3.46Å; S359-A362 PolarHBondContact OG-N 3.37Å; S359-I363 WeakPolarHBondContact O-CG1 3.37Å; S359-I363 PolarHBondContact O-N 3.28Å; S359-C415 PolarHBondContact N-O 3.45Å | ||
| 360 | R | 85.6 | Confident | 83.6 | Confident | 162 Ų | 162 | 72 Ų | 72 | 61% | 0.611 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.3 | -37.2 | 172.7 | -65.6 | -178.9 | -175.8 | 157.6 | 5.3 | 111.2 | E277 D278 I363 I364 | E277-R360 PolarHBondContact O-NH2 2.9Å; D278-R360 PolarHBondContact O-NH2 2.93Å; R360-I363 PolarHBondContact O-N 3.09Å; R360-I364 WeakPolarHBondContact O-CG1 3.02Å; R360-I364 PolarHBondContact O-N 2.88Å; R360-I364 VanDerWaalsContact O-N 3.15Å |
| 361 | H | 87.6 | Confident | 84.1 | Confident | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 174.3 | -173.3 | 78 | 0 | 0 | 0 | 111.7 | S359 I363 I364 Q365 | S359-H361 PolarHBondContact O-N 2.03Å; S359-H361 PolarHBondContact OG-N 2.03Å; H361-I363 VanDerWaalsContact C-N 3.29Å; H361-I363 PolarHBondContact O-N 2.84Å; H361-I364 PolarHBondContact O-N 3.24Å; H361-Q365 PolarHBondContact CD2-OE1 3.17Å; H361-Q365 PolarHBondContact NE2-OE1 3.39Å; H361-Q365 VanDerWaalsContact NE2-OE1 3.17Å; H361-Q365 VanDerWaalsContact O-CB 3.25Å; H361-Q365 WeakPolarHBondContact O-CB 3.38Å; H361-Q365 PolarHBondContact O-N 3.2Å |
| 362 | A | 89.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | P358 S359 T366 A379 C415 | P358-A362 HydrophobicContact CB-CB 4.43Å; S359-A362 WeakPolarHBondContact O-CB 3.26Å; S359-A362 PolarHBondContact O-N 3.46Å; S359-A362 WeakPolarHBondContact OG-CB 3.46Å; S359-A362 PolarHBondContact OG-N 3.37Å; A362-T366 WeakPolarHBondContact O-CB 3.28Å; A362-T366 PolarHBondContact O-N 3.41Å; A362-T366 PolarHBondContact O-OG1 2.9Å; A362-A379 HydrophobicContact CB-CB 3.95Å; A362-C415 HydrophobicContact CB-CB 4.34Å; A362-C415 WeakPolarHBondContact CB-O 3.37Å |
| 363 | I | 87.3 | Confident | 85 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.8 | -53.2 | 174.1 | -64.3 | 167.4 | 0 | 0 | 0 | 110.4 | L352 P358 S359 R360 H361 Q365 T366 L367 | L352-I363 HydrophobicContact CD1-CG1 4.04Å; P358-I363 HydrophobicContact CB-CG1 3.99Å; P358-I363 HydrophobicContact CG-CD1 4.16Å; P358-I363 HydrophobicContact CG-CG1 3.98Å; S359-I363 WeakPolarHBondContact O-CG1 3.37Å; S359-I363 PolarHBondContact O-N 3.28Å; R360-I363 PolarHBondContact O-N 3.09Å; H361-I363 VanDerWaalsContact C-N 3.29Å; H361-I363 PolarHBondContact O-N 2.84Å; I363-Q365 PolarHBondContact O-N 3.02Å; I363-T366 PolarHBondContact O-N 2.96Å; I363-L367 HydrophobicContact CG2-CD1 4.04Å; I363-L367 WeakPolarHBondContact O-CB 3.06Å; I363-L367 WeakPolarHBondContact O-CG 3.04Å; I363-L367 PolarHBondContact O-N 2.77Å |
| 364 | I | 89.8 | Confident | 85.9 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 52% | 0.523 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | -179.1 | -67 | 170 | 0 | 0 | 0 | 110.6 | R360 H361 L367 L368 | R360-I364 WeakPolarHBondContact O-CG1 3.02Å; R360-I364 PolarHBondContact O-N 2.88Å; R360-I364 VanDerWaalsContact O-N 3.15Å; H361-I364 PolarHBondContact O-N 3.24Å; I364-L367 PolarHBondContact O-N 3.18Å; I364-L368 HydrophobicContact CG2-CD1 3.91Å; I364-L368 HydrophobicContact CG2-CG 4.3Å; I364-L368 WeakPolarHBondContact O-CB 3.21Å; I364-L368 WeakPolarHBondContact O-CG 3.36Å; I364-L368 PolarHBondContact O-N 3.13Å |
| 365 | Q | 89.5 | Confident | 86.9 | Confident | 40 Ų | 40 | 87 Ų | 87 | 19% | 0.187 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 179.6 | 177.7 | 173.3 | -17.2 | 0 | 0 | 111.3 | H361 I363 L367 L368 N369 A376 N377 | H361-Q365 PolarHBondContact CD2-OE1 3.17Å; H361-Q365 PolarHBondContact NE2-OE1 3.39Å; H361-Q365 VanDerWaalsContact NE2-OE1 3.17Å; H361-Q365 VanDerWaalsContact O-CB 3.25Å; H361-Q365 WeakPolarHBondContact O-CB 3.38Å; H361-Q365 PolarHBondContact O-N 3.2Å; I363-Q365 PolarHBondContact O-N 3.02Å; Q365-L367 VanDerWaalsContact C-N 3.34Å; Q365-L367 PolarHBondContact O-N 2.74Å; Q365-L368 PolarHBondContact O-N 3.08Å; Q365-N369 WeakPolarHBondContact O-CB 3.4Å; Q365-N369 PolarHBondContact O-N 2.74Å; Q365-A376 HydrophobicContact CG-CB 4.45Å; Q365-N377 WeakPolarHBondContact CG-O 3.45Å; Q365-N377 PolarHBondContact NE2-O 2.99Å |
| 366 | T | 88 | Confident | 87.8 | Confident | 4 Ų | 4 | 79.5 Ų | 79.5 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | C348 L352 A362 I363 L370 | C348-T366 VanDerWaalsContact O-CG2 3.25Å; C348-T366 WeakPolarHBondContact O-CG2 3.44Å; L352-T366 HydrophobicContact CD2-CG2 4.42Å; L352-T366 HydrophobicContact CG-CG2 4.48Å; A362-T366 WeakPolarHBondContact O-CB 3.28Å; A362-T366 PolarHBondContact O-N 3.41Å; A362-T366 PolarHBondContact O-OG1 2.9Å; I363-T366 PolarHBondContact O-N 2.96Å; T366-L370 WeakPolarHBondContact O-CB 3.32Å; T366-L370 PolarHBondContact O-N 2.88Å |
| 367 | L | 88.9 | Confident | 88.6 | Confident | 74 Ų | 74 | 85.2 Ų | 85.2 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.1 | -75.4 | 172.9 | 0 | 0 | 0 | 112.5 | Y350 I363 I364 Q365 L370 R371 | Y350-L367 HydrophobicContact CD1-CD2 4.27Å; Y350-L367 HydrophobicContact CD2-CD2 3.48Å; Y350-L367 VanDerWaalsContact CD2-CD2 3.48Å; Y350-L367 HydrophobicContact CD2-CG 4.02Å; Y350-L367 HydrophobicContact CE1-CD2 4.33Å; Y350-L367 HydrophobicContact CE2-CD2 3.58Å; Y350-L367 HydrophobicContact CE2-CG 4.19Å; Y350-L367 HydrophobicContact CG-CD2 3.85Å; I363-L367 HydrophobicContact CG2-CD1 4.04Å; I363-L367 WeakPolarHBondContact O-CB 3.06Å; I363-L367 WeakPolarHBondContact O-CG 3.04Å; I363-L367 PolarHBondContact O-N 2.77Å; I364-L367 PolarHBondContact O-N 3.18Å; Q365-L367 VanDerWaalsContact C-N 3.34Å; Q365-L367 PolarHBondContact O-N 2.74Å; L367-L370 PolarHBondContact O-N 3.34Å; L367-R371 PolarHBondContact O-N 2.83Å; L367-R371 VanDerWaalsContact O-N 3.16Å |
| 368 | L | 91.2 | Very high | 88.9 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 175.9 | -75.9 | 175.5 | 0 | 0 | 0 | 111.4 | I364 Q365 L370 R371 D372 A376 | I364-L368 HydrophobicContact CG2-CD1 3.91Å; I364-L368 HydrophobicContact CG2-CG 4.3Å; I364-L368 WeakPolarHBondContact O-CB 3.21Å; I364-L368 WeakPolarHBondContact O-CG 3.36Å; I364-L368 PolarHBondContact O-N 3.13Å; Q365-L368 PolarHBondContact O-N 3.08Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-L370 PolarHBondContact O-N 2.87Å; L368-R371 PolarHBondContact O-N 3.42Å; L368-R371 VanDerWaalsContact O-N 3.15Å; L368-D372 PolarHBondContact O-N 2.94Å; L368-A376 HydrophobicContact CB-CB 3.87Å |
| 369 | N | 91.4 | Very high | 89.2 | Confident | 32 Ų | 32 | 84.7 Ų | 84.7 | 17% | 0.171 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.7 | 176 | -95.5 | 0 | 0 | 0 | 111.3 | Q365 R371 D372 P373 A376 M378 | Q365-N369 WeakPolarHBondContact O-CB 3.4Å; Q365-N369 PolarHBondContact O-N 2.74Å; N369-R371 PolarHBondContact O-N 3.28Å; N369-D372 CarbonylContact O-C 3.41Å; N369-D372 PolarHBondContact O-N 2.68Å; N369-P373 WeakPolarHBondContact O-CA 3.48Å; N369-P373 VanDerWaalsContact O-CD 3.22Å; N369-P373 WeakPolarHBondContact O-CD 3.3Å; N369-P373 VanDerWaalsContact O-CG 3.29Å; N369-P373 WeakPolarHBondContact O-CG 3.13Å; N369-P373 VanDerWaalsContact O-N 3.12Å; N369-A376 HydrophobicContact CB-CB 4.45Å; N369-A376 WeakPolarHBondContact CB-O 3.42Å; N369-A376 PolarHBondContact ND2-O 3.17Å; N369-M378 PolarHBondContact ND2-N 3.24Å |
| 370 | L | 88.8 | Confident | 89.6 | Confident | 117 Ų | 117 | 87 Ų | 87 | 61% | 0.613 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.3 | -34.4 | 176.5 | -174.3 | 68.8 | 0 | 0 | 0 | 112.4 | Y350 T366 L367 L368 | Y350-L370 HydrophobicContact CD1-CD2 4.39Å; T366-L370 WeakPolarHBondContact O-CB 3.32Å; T366-L370 PolarHBondContact O-N 2.88Å; L367-L370 PolarHBondContact O-N 3.34Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-L370 PolarHBondContact O-N 2.87Å |
| 371 | R | 91.4 | Very high | 89.9 | Confident | 227 Ų | 227 | 80.5 Ų | 80.5 | 86% | 0.857 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -80 | -45.1 | 178.7 | -175.1 | 173.3 | -177.4 | 172.5 | 0.6 | 112.4 | L367 L368 N369 | L367-R371 PolarHBondContact O-N 2.83Å; L367-R371 VanDerWaalsContact O-N 3.16Å; L368-R371 PolarHBondContact O-N 3.42Å; L368-R371 VanDerWaalsContact O-N 3.15Å; N369-R371 PolarHBondContact O-N 3.28Å |
| 372 | D | 90.9 | Very high | 90.2 | Very high | 52 Ų | 52 | 77 Ų | 77 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | trans | -149.5 | 93.7 | -177.8 | -170.1 | -8.7 | 0 | 0 | 0 | 110.4 | L368 N369 K374 K375 | L368-D372 PolarHBondContact O-N 2.94Å; N369-D372 CarbonylContact O-C 3.41Å; N369-D372 PolarHBondContact O-N 2.68Å; D372-K374 PolarHBondContact O-N 3.45Å; D372-K374 WeakPolarHBondContact OD1-CB 3.35Å; D372-K374 PolarHBondContact OD1-N 2.94Å; D372-K375 HydrophobicContact CB-CB 4.32Å; D372-K375 HydrophobicContact CB-CD 4.16Å; D372-K375 HydrophobicContact CB-CG 4.26Å; D372-K375 PolarHBondContact O-N 3.24Å; D372-K375 VanDerWaalsContact OD2-CD 3.27Å; D372-K375 WeakPolarHBondContact OD2-CD 3.37Å; D372-K375 WeakPolarHBondContact OD2-CE 3.29Å; D372-K375 WeakPolarHBondContact OD2-CG 3.37Å; D372-K375 IonicContact OD2-NZ 3.91Å | ||
| 373 | P | 90.8 | Very high | 90.4 | Very high | 84 Ų | 84 | 79.9 Ų | 79.9 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.5 | -178.7 | -23.9 | 32.2 | 0 | 0 | 0 | 114.3 | N369 | N369-P373 WeakPolarHBondContact O-CA 3.48Å; N369-P373 VanDerWaalsContact O-CD 3.22Å; N369-P373 WeakPolarHBondContact O-CD 3.3Å; N369-P373 VanDerWaalsContact O-CG 3.29Å; N369-P373 WeakPolarHBondContact O-CG 3.13Å; N369-P373 VanDerWaalsContact O-N 3.12Å |
| 374 | K | 92.4 | Very high | 90.6 | Very high | 202 Ų | 202 | 79.7 Ų | 79.7 | 88% | 0.878 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -17.8 | 177.8 | -61.8 | -174.6 | 177.1 | -173.1 | 0 | 112.8 | D372 | D372-K374 PolarHBondContact O-N 3.45Å; D372-K374 WeakPolarHBondContact OD1-CB 3.35Å; D372-K374 PolarHBondContact OD1-N 2.94Å |
| 375 | K | 91.3 | Very high | 90.5 | Very high | 172 Ų | 172 | 79.6 Ų | 79.6 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -24.9 | -178.1 | -74 | -176.2 | -179.4 | -179.4 | 0 | 113.7 | D372 | D372-K375 HydrophobicContact CB-CB 4.32Å; D372-K375 HydrophobicContact CB-CD 4.16Å; D372-K375 HydrophobicContact CB-CG 4.26Å; D372-K375 PolarHBondContact O-N 3.24Å; D372-K375 VanDerWaalsContact OD2-CD 3.27Å; D372-K375 WeakPolarHBondContact OD2-CD 3.37Å; D372-K375 WeakPolarHBondContact OD2-CE 3.29Å; D372-K375 WeakPolarHBondContact OD2-CG 3.37Å; D372-K375 IonicContact OD2-NZ 3.91Å |
| 376 | A | 88.9 | Confident | 90.5 | Very high | 17 Ų | 17 | 81 Ų | 81 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | trans | -149.8 | 140.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q365 L368 N369 | Q365-A376 HydrophobicContact CG-CB 4.45Å; L368-A376 HydrophobicContact CB-CB 3.87Å; N369-A376 HydrophobicContact CB-CB 4.45Å; N369-A376 WeakPolarHBondContact CB-O 3.42Å; N369-A376 PolarHBondContact ND2-O 3.17Å | ||
| 377 | N | 89.4 | Confident | 90.4 | Very high | 126 Ų | 126 | 83 Ų | 83 | 67% | 0.674 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 161.6 | 170.4 | -68.6 | -25.4 | 0 | 0 | 0 | 110.5 | Q365 | Q365-N377 WeakPolarHBondContact CG-O 3.45Å; Q365-N377 PolarHBondContact NE2-O 2.99Å |
| 378 | M | 85.3 | Confident | 90.4 | Very high | 67 Ų | 67 | 81 Ų | 81 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -67 | 148 | 171.2 | -165.1 | 170.5 | -170.5 | 0 | 0 | 110.2 | V347 C348 S349 N369 | V347-M378 HydrophobicContact CB-CE 3.83Å; V347-M378 HydrophobicContact CG2-CE 4.49Å; C348-M378 WeakPolarHBondContact O-CE 3.49Å; S349-M378 VanDerWaalsContact CA-CE 3.44Å; S349-M378 VanDerWaalsContact N-CE 3.3Å; N369-M378 PolarHBondContact ND2-N 3.24Å |
| 379 | A | 90.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 77.4 Ų | 77.4 | 5% | 0.05 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 151.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | C348 A362 C415 R416 | C348-A379 HydrophobicContact CB-CB 3.89Å; C348-A379 WeakPolarHBondContact CB-O 3.13Å; A362-A379 HydrophobicContact CB-CB 3.95Å; A379-C415 HydrophobicContact CB-CB 4.49Å; A379-R416 WeakPolarHBondContact CB-O 3.43Å |
| 380 | C | 92.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 76.4 Ų | 76.4 | 54% | 0.541 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 144.5 | -177.8 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | V382 C415 R416 | C380-V382 HydrophobicContact CB-CG1 4.02Å; C380-C415 WeakPolarHBondContact O-CA 3.03Å; C380-R416 PolarHBondContact N-O 2.9Å; C380-R416 VanDerWaalsContact N-O 3.1Å; C380-R416 PolarHBondContact O-N 2.9Å; C380-R416 VanDerWaalsContact O-N 3.08Å |
| 381 | C | 93.2 | Very high | 90.5 | Very high | 24 Ų | 24 | 70.8 Ų | 70.8 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.7 | 171.1 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | C315 | C315-C381 WeakPolarHBondContact CA-SG 3.48Å; C315-C381 HydrophobicContact CB-CB 3.64Å; C315-C381 WeakPolarHBondContact CB-SG 2.99Å; C315-C381 WeakPolarHBondContact SG-CA 3.38Å; C315-C381 WeakPolarHBondContact SG-CB 3.02Å; C315-C381 CovalentContact SG-SG 2.03Å; C315-C381 PolarHBondContact SG-SG 3.01Å |
| 382 | V | 94.4 | Very high | 90.6 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157.2 | -173 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | C380 I384 C413 G414 R416 | C380-V382 HydrophobicContact CB-CG1 4.02Å; V382-I384 PolarHBondContact O-N 3.34Å; V382-C413 WeakPolarHBondContact O-CA 3.1Å; V382-G414 PolarHBondContact N-O 3.05Å; V382-G414 PolarHBondContact O-N 3.26Å; V382-R416 HydrophobicContact CG2-CB 3.79Å; V382-R416 HydrophobicContact CG2-CG 3.57Å |
| 383 | P | 93.1 | Very high | 90.7 | Very high | 61 Ų | 61 | 57.8 Ų | 57.8 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 132 | 168.5 | -20.4 | 32.7 | 0 | 0 | 0 | 110.1 | C344 L386 V410 | C344-P383 WeakPolarHBondContact SG-CA 3.4Å; P383-L386 HydrophobicContact CB-CD2 3.91Å; P383-L386 HydrophobicContact CB-CG 4.39Å; P383-V410 HydrophobicContact CB-CG1 4.21Å; P383-V410 HydrophobicContact CB-CG2 4.13Å; P383-V410 HydrophobicContact CG-CG2 3.87Å |
| 384 | I | 89.9 | Confident | 90.6 | Very high | 49 Ų | 49 | 55.3 Ų | 55.3 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -13.3 | 175.5 | 59.6 | 156.7 | 0 | 0 | 0 | 112.1 | T357 V382 E412 R416 | T357-I384 HydrophobicContact CG2-CD1 4.4Å; T357-I384 WeakPolarHBondContact OG1-CD1 3.26Å; V382-I384 PolarHBondContact O-N 3.34Å; I384-E412 HydrophobicContact CD1-CB 4.14Å; I384-E412 HydrophobicContact CG1-CB 3.84Å; I384-E412 WeakPolarHBondContact CG1-O 3.46Å; I384-E412 PolarHBondContact N-O 3.38Å; I384-R416 HydrophobicContact CG2-CG 4.23Å |
| 385 | K | 89.3 | Confident | 90.1 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 129.6 | 172.1 | -169.7 | -179.1 | 179 | 175.4 | 0 | 108.9 | A411 E412 | K385-A411 HydrophobicContact CB-CB 4.18Å; K385-A411 HydrophobicContact CD-CB 4.12Å; K385-A411 HydrophobicContact CG-CB 4.01Å; K385-A411 PolarHBondContact O-N 2.88Å; K385-E412 HydrophobicContact CB-CB 3.85Å; K385-E412 HydrophobicContact CB-CG 4.17Å; K385-E412 HydrophobicContact CD-CG 4.15Å; K385-E412 VanDerWaalsContact CD-OE1 3.26Å; K385-E412 WeakPolarHBondContact CD-OE1 3.21Å; K385-E412 PolarHBondContact N-O 3.04Å; K385-E412 IonicContact NZ-OE1 3.37Å; K385-E412 PolarHBondContact NZ-OE1 2.92Å; K385-E412 PolarHBondContact O-N 3.41Å |
| 386 | L | 88.3 | Confident | 89.6 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 37% | 0.372 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140.9 | 174.3 | -61.3 | 164.2 | 0 | 0 | 0 | 107.9 | P383 E407 K409 V410 | P383-L386 HydrophobicContact CB-CD2 3.91Å; P383-L386 HydrophobicContact CB-CG 4.39Å; L386-E407 HydrophobicContact CB-CB 4.47Å; L386-E407 HydrophobicContact CD1-CB 3.78Å; L386-E407 HydrophobicContact CD1-CG 3.92Å; L386-K409 CarbonylContact C-O 3.54Å; L386-K409 VanDerWaalsContact CA-O 3.26Å; L386-K409 WeakPolarHBondContact CA-O 3.25Å; L386-V410 HydrophobicContact CD2-CB 4.48Å; L386-V410 HydrophobicContact CD2-CG2 3.94Å |
| 387 | D | 87.2 | Confident | 89.1 | Confident | 46 Ų | 46 | 45 Ų | 45 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 156.5 | 175.4 | -82.4 | -2.9 | 0 | 0 | 0 | 109.6 | M408 K409 A411 | D387-M408 PolarHBondContact O-N 3.2Å; D387-K409 HydrophobicContact CB-CD 3.99Å; D387-K409 HydrophobicContact CB-CG 3.61Å; D387-K409 VanDerWaalsContact CG-CE 3.49Å; D387-K409 PolarHBondContact N-O 2.82Å; D387-K409 WeakPolarHBondContact O-CG 3.26Å; D387-K409 PolarHBondContact O-N 2.93Å; D387-K409 VanDerWaalsContact O-N 3.12Å; D387-K409 WeakPolarHBondContact OD2-CE 3.25Å; D387-K409 IonicContact OD2-NZ 3.39Å; D387-K409 PolarHBondContact OD2-NZ 3.08Å; D387-A411 HydrophobicContact CB-CB 4.38Å; D387-A411 WeakPolarHBondContact OD1-CB 3.34Å |
| 388 | P | 87.8 | Confident | 89 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 163.9 | 175.8 | 30.7 | -33.9 | 0 | 0 | 0 | 113.9 | R101 L404 Y405 | R101-P388 PolarHBondContact NH1-O 3.28Å; R101-P388 PolarHBondContact NH2-O 2.84Å; P388-L404 HydrophobicContact CB-CB 4.33Å; P388-L404 HydrophobicContact CB-CD2 4.19Å; P388-L404 HydrophobicContact CG-CD2 3.73Å; P388-Y405 CarbonylContact C-O 3.56Å; P388-Y405 WeakPolarHBondContact CA-O 3.45Å; P388-Y405 VanDerWaalsContact CB-O 3.3Å; P388-Y405 WeakPolarHBondContact CB-O 3.04Å |
| 389 | I | 89.9 | Confident | 89.3 | Confident | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 160.7 | 165.2 | 69.7 | 174.4 | 0 | 0 | 0 | 110.9 | F324 Y339 V391 Y405 M408 K409 | F324-I389 HydrophobicContact CZ-CD1 4.46Å; Y339-I389 HydrophobicContact CD1-CD1 4.28Å; Y339-I389 HydrophobicContact CD2-CD1 4.14Å; Y339-I389 HydrophobicContact CD2-CG2 4.24Å; Y339-I389 HydrophobicContact CE1-CD1 4.46Å; Y339-I389 HydrophobicContact CE2-CD1 4.31Å; Y339-I389 HydrophobicContact CG-CD1 4.12Å; I389-V391 HydrophobicContact CD1-CG2 3.83Å; I389-V391 HydrophobicContact CG1-CG2 3.72Å; I389-Y405 PolarHBondContact N-O 3.14Å; I389-Y405 WeakPolarHBondContact O-CB 2.96Å; I389-Y405 PolarHBondContact O-N 3.21Å; I389-M408 HydrophobicContact CB-CB 4.45Å; I389-M408 HydrophobicContact CD1-CB 4.04Å; I389-M408 HydrophobicContact CD1-CE 3.7Å; I389-M408 HydrophobicContact CD1-CG 4.12Å; I389-M408 HydrophobicContact CG1-CB 3.79Å; I389-M408 HydrophobicContact CG1-CE 4.42Å; I389-M408 HydrophobicContact CG1-CG 3.84Å; I389-M408 HydrophobicContact CG2-CB 4.05Å; I389-K409 HydrophobicContact CG2-CD 4.35Å |
| 390 | T | 90.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.8 | 169.8 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | Y94 P336 I401 R402 Y403 | Y94-T390 HydrophobicContact CD2-CG2 3.95Å; Y94-T390 HydrophobicContact CE2-CG2 3.93Å; P336-T390 WeakPolarHBondContact CD-O 2.93Å; T390-I401 HydrophobicContact CG2-CG2 3.98Å; T390-R402 CarbonylContact C-O 3.33Å; T390-R402 WeakPolarHBondContact CA-O 3.46Å; T390-R402 WeakPolarHBondContact CG2-O 3.37Å; T390-Y403 WeakPolarHBondContact CA-O 3.24Å; T390-Y403 PolarHBondContact OG1-O 3.15Å |
| 391 | V | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.4 | -177.9 | -174 | 0 | 0 | 0 | 0 | 110 | I333 I389 Y393 I401 R402 Y405 | I333-V391 HydrophobicContact CG2-CG1 4.15Å; I389-V391 HydrophobicContact CD1-CG2 3.83Å; I389-V391 HydrophobicContact CG1-CG2 3.72Å; V391-Y393 HydrophobicContact CG1-CD1 4.25Å; V391-I401 CarbonylContact O-C 3.49Å; V391-I401 WeakPolarHBondContact O-CA 3.29Å; V391-R402 PolarHBondContact N-O 3.04Å; V391-R402 PolarHBondContact O-N 2.93Å; V391-Y405 HydrophobicContact CG2-CD1 4.08Å; V391-Y405 HydrophobicContact CG2-CG 4.17Å |
| 392 | M | 94.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.1 | 168.1 | -178.2 | 174.9 | 52.7 | 0 | 0 | 109.2 | P86 Y94 V334 A335 I399 T400 I401 | P86-M392 HydrophobicContact CB-CE 4.25Å; P86-M392 HydrophobicContact CB-SD 3.95Å; P86-M392 HydrophobicContact CG-CE 4.25Å; Y94-M392 HydrophobicContact CD2-CB 3.81Å; Y94-M392 HydrophobicContact CE2-CB 4.32Å; Y94-M392 HydrophobicContact CG-CB 4.41Å; V334-M392 WeakPolarHBondContact CA-O 3.43Å; V334-M392 HydrophobicContact CB-CE 3.96Å; V334-M392 HydrophobicContact CB-CG 4.2Å; V334-M392 HydrophobicContact CG1-CE 3.6Å; V334-M392 PolarHBondContact N-O 2.93Å; A335-M392 HydrophobicContact CB-CB 4.17Å; A335-M392 HydrophobicContact CB-CE 3.65Å; A335-M392 PolarHBondContact N-O 3.28Å; A335-M392 PolarHBondContact O-N 3.47Å; M392-I399 HydrophobicContact CG-CG2 3.76Å; M392-I399 HydrophobicContact SD-CG2 3.8Å; M392-T400 CarbonylContact C-O 3.57Å; M392-T400 VanDerWaalsContact CA-O 3.31Å; M392-T400 WeakPolarHBondContact CA-O 3.38Å; M392-I401 HydrophobicContact CB-CG1 4.05Å; M392-I401 HydrophobicContact CG-CG1 3.84Å; M392-I401 HydrophobicContact SD-CD1 4.48Å; M392-I401 HydrophobicContact SD-CG1 4.2Å |
| 393 | Y | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 165.3 | -175.2 | 64.8 | -81.8 | 0 | 0 | 0 | 112.2 | L72 L74 W332 V391 E395 T400 R402 | L72-Y393 HydrophobicContact CD1-CD1 4.34Å; L72-Y393 HydrophobicContact CD1-CD2 3.99Å; L72-Y393 HydrophobicContact CD1-CE1 4.28Å; L72-Y393 HydrophobicContact CD1-CE2 3.91Å; L72-Y393 HydrophobicContact CD1-CG 4.21Å; L72-Y393 HydrophobicContact CD2-CD1 4.41Å; L72-Y393 HydrophobicContact CD2-CE1 3.79Å; L72-Y393 HydrophobicContact CD2-CE2 4.49Å; L74-Y393 HydrophobicContact CD1-CD2 4.43Å; L74-Y393 HydrophobicContact CD1-CE2 4.19Å; W332-Y393 HydrophobicContact CE3-CD2 4.44Å; W332-Y393 HydrophobicContact CZ3-CG 4.42Å; W332-Y393 CarbonylContact O-C 3.58Å; W332-Y393 WeakPolarHBondContact O-CA 3.2Å; W332-Y393 WeakPolarHBondContact O-CB 3.32Å; V391-Y393 HydrophobicContact CG1-CD1 4.25Å; Y393-E395 HydrophobicContact CD2-CB 4.21Å; Y393-E395 HydrophobicContact CE2-CB 3.88Å; Y393-T400 HydrophobicContact CE1-CG2 3.86Å; Y393-T400 HydrophobicContact CE2-CG2 4.33Å; Y393-T400 PolarHBondContact N-O 2.85Å; Y393-T400 PolarHBondContact O-N 3.16Å; Y393-T400 WeakPolarHBondContact OH-CG2 3.22Å; Y393-R402 HydrophobicContact CE1-CB 4.16Å |
| 394 | K | 89.2 | Confident | 88.3 | Confident | 31 Ų | 31 | 30.7 Ų | 30.7 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.2 | 174.4 | -61.8 | 172.6 | -173.7 | -177.6 | 0 | 109.5 | E80 I84 W332 V334 R398 I399 | E80-K394 WeakPolarHBondContact OE2-CD 3.01Å; I84-K394 WeakPolarHBondContact O-CE 3.4Å; I84-K394 PolarHBondContact O-NZ 3.45Å; W332-K394 PolarHBondContact O-N 3.03Å; V334-K394 HydrophobicContact CG2-CD 4.35Å; V334-K394 HydrophobicContact CG2-CG 3.81Å; K394-R398 WeakPolarHBondContact CA-O 3.47Å; K394-I399 HydrophobicContact CG-CD1 3.78Å |
| 395 | E | 82.8 | Confident | 88 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 124.6 | 176.3 | 169.3 | -174.7 | -121.3 | 0 | 0 | 107.8 | L74 R111 Y393 G397 R398 | L74-E395 HydrophobicContact CD2-CB 4.13Å; L74-E395 HydrophobicContact CD2-CG 3.52Å; L74-E395 WeakPolarHBondContact CD2-OE1 3.42Å; R111-E395 IonicContact NE-OE2 3.25Å; R111-E395 PolarHBondContact NE-OE2 2.9Å; R111-E395 IonicContact NH2-OE2 3.24Å; Y393-E395 HydrophobicContact CD2-CB 4.21Å; Y393-E395 HydrophobicContact CE2-CB 3.88Å; E395-G397 PolarHBondContact O-N 3.49Å; E395-R398 PolarHBondContact N-O 3.4Å; E395-R398 WeakPolarHBondContact O-CG 3.45Å; E395-R398 PolarHBondContact O-N 2.81Å; E395-R398 IonicContact OE2-CZ 3.94Å; E395-R398 IonicContact OE2-NE 2.8Å; E395-R398 PolarHBondContact OE2-NE 3.28Å; E395-R398 VanDerWaalsContact OE2-NE 3.17Å; E395-R398 IonicContact OE2-NH2 3.41Å; E395-R398 PolarHBondContact OE2-NH2 3.33Å |
| 396 | N | 79.9 | Confident | 87.7 | Confident | 123 Ų | 123 | 25.9 Ų | 25.9 | 66% | 0.658 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.5 | 172.1 | -57.6 | -36.3 | 0 | 0 | 0 | 115.1 | ||
| 397 | G | 79.3 | Confident | 87.4 | Confident | 41 Ų | 41 | 26.9 Ų | 26.9 | 42% | 0.423 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 17.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | E80 I84 E395 | E80-G397 VanDerWaalsContact OE1-CA 3.22Å; E80-G397 WeakPolarHBondContact OE1-CA 3.37Å; E80-G397 PolarHBondContact OE1-N 3.46Å; I84-G397 VanDerWaalsContact CD1-O 3.24Å; I84-G397 WeakPolarHBondContact CD1-O 3.41Å; E395-G397 PolarHBondContact O-N 3.49Å |
| 398 | R | 86.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 25.7 Ų | 25.7 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155.6 | 176.9 | 53.6 | 167.6 | -178.4 | -135.1 | 5.2 | 111.9 | S112 F113 S134 K394 E395 | S112-R398 VanDerWaalsContact O-CB 3.31Å; S112-R398 WeakPolarHBondContact O-CB 3.35Å; F113-R398 VanDerWaalsContact CE1-NH1 3.26Å; S134-R398 PolarHBondContact O-NH1 2.99Å; S134-R398 PolarHBondContact O-NH2 3.15Å; S134-R398 PolarHBondContact OG-NH1 3.18Å; K394-R398 WeakPolarHBondContact CA-O 3.47Å; E395-R398 PolarHBondContact N-O 3.4Å; E395-R398 WeakPolarHBondContact O-CG 3.45Å; E395-R398 PolarHBondContact O-N 2.81Å; E395-R398 IonicContact OE2-CZ 3.94Å; E395-R398 IonicContact OE2-NE 2.8Å; E395-R398 PolarHBondContact OE2-NE 3.28Å; E395-R398 VanDerWaalsContact OE2-NE 3.17Å; E395-R398 IonicContact OE2-NH2 3.41Å; E395-R398 PolarHBondContact OE2-NH2 3.33Å |
| 399 | I | 91.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.036 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.7 | 174.7 | -59.6 | -71.5 | 0 | 0 | 0 | 108.9 | I84 P86 M90 S112 V334 M392 K394 | I84-I399 HydrophobicContact CG2-CD1 4.09Å; I84-I399 HydrophobicContact CG2-CG1 4.03Å; P86-I399 HydrophobicContact CB-CD1 4.33Å; P86-I399 HydrophobicContact CB-CG1 4.36Å; P86-I399 HydrophobicContact CB-CG2 4.25Å; M90-I399 HydrophobicContact CB-CG2 4.47Å; M90-I399 HydrophobicContact CE-CB 4.39Å; M90-I399 HydrophobicContact CE-CG2 3.81Å; S112-I399 PolarHBondContact N-O 3.46Å; V334-I399 HydrophobicContact CG2-CD1 4.15Å; M392-I399 HydrophobicContact CG-CG2 3.76Å; M392-I399 HydrophobicContact SD-CG2 3.8Å; K394-I399 HydrophobicContact CG-CD1 3.78Å |
| 400 | T | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.9 | -179 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | V109 I110 R111 M392 Y393 | V109-T400 HydrophobicContact CG1-CG2 3.62Å; I110-T400 CarbonylContact O-C 3.47Å; I110-T400 VanDerWaalsContact O-CA 3.28Å; I110-T400 WeakPolarHBondContact O-CA 3.3Å; R111-T400 HydrophobicContact CG-CG2 3.87Å; M392-T400 CarbonylContact C-O 3.57Å; M392-T400 VanDerWaalsContact CA-O 3.31Å; M392-T400 WeakPolarHBondContact CA-O 3.38Å; Y393-T400 HydrophobicContact CE1-CG2 3.86Å; Y393-T400 HydrophobicContact CE2-CG2 4.33Å; Y393-T400 PolarHBondContact N-O 2.85Å; Y393-T400 PolarHBondContact O-N 3.16Å; Y393-T400 WeakPolarHBondContact OH-CG2 3.22Å |
| 401 | I | 92.8 | Very high | 88 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.6 | 171.3 | -58.8 | 165 | 0 | 0 | 0 | 107.5 | M90 L93 Y94 V109 I110 T390 V391 M392 | M90-I401 HydrophobicContact CE-CD1 3.56Å; M90-I401 HydrophobicContact CE-CG1 3.78Å; M90-I401 WeakPolarHBondContact O-CD1 3.35Å; M90-I401 HydrophobicContact SD-CD1 4.24Å; L93-I401 HydrophobicContact CB-CD1 4.1Å; Y94-I401 HydrophobicContact CD2-CG2 4.45Å; V109-I401 CarbonylContact C-O 3.6Å; V109-I401 WeakPolarHBondContact CA-O 3.46Å; I110-I401 HydrophobicContact CB-CB 4.16Å; I110-I401 HydrophobicContact CD1-CB 4.46Å; I110-I401 HydrophobicContact CD1-CD1 4.38Å; I110-I401 HydrophobicContact CG1-CB 4.48Å; I110-I401 PolarHBondContact N-O 2.67Å; I110-I401 PolarHBondContact O-N 2.98Å; T390-I401 HydrophobicContact CG2-CG2 3.98Å; V391-I401 CarbonylContact O-C 3.49Å; V391-I401 WeakPolarHBondContact O-CA 3.29Å; M392-I401 HydrophobicContact CB-CG1 4.05Å; M392-I401 HydrophobicContact CG-CG1 3.84Å; M392-I401 HydrophobicContact SD-CD1 4.48Å; M392-I401 HydrophobicContact SD-CG1 4.2Å |
| 402 | R | 90.1 | Very high | 87.9 | Confident | 28 Ų | 28 | 30.9 Ų | 30.9 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.1 | 171.8 | -172.5 | 163.9 | -178.1 | 164.5 | 4.7 | 109.6 | Q71 D108 T390 V391 Y393 | Q71-R402 PolarHBondContact O-NH1 2.8Å; D108-R402 WeakPolarHBondContact O-CA 3.11Å; T390-R402 CarbonylContact C-O 3.33Å; T390-R402 WeakPolarHBondContact CA-O 3.46Å; T390-R402 WeakPolarHBondContact CG2-O 3.37Å; V391-R402 PolarHBondContact N-O 3.04Å; V391-R402 PolarHBondContact O-N 2.93Å; Y393-R402 HydrophobicContact CE1-CB 4.16Å |
| 403 | Y | 84.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -48.1 | -173.3 | -177.9 | -113.1 | 0 | 0 | 0 | 112.9 | Y97 N100 P105 D108 T390 | Y97-Y403 HydrophobicContact CD1-CD2 4.34Å; Y97-Y403 HydrophobicContact CD1-CE2 4.19Å; Y97-Y403 HydrophobicContact CG-CD2 4.32Å; Y97-Y403 HydrophobicContact CG-CE2 4.43Å; Y97-Y403 WeakPolarHBondContact O-CE2 3.25Å; N100-Y403 PolarHBondContact O-OH 3.47Å; P105-Y403 HydrophobicContact CG-CD1 3.18Å; P105-Y403 HydrophobicContact CG-CD2 4.01Å; P105-Y403 HydrophobicContact CG-CE1 3.46Å; P105-Y403 VanDerWaalsContact CG-CE1 3.46Å; P105-Y403 HydrophobicContact CG-CE2 4.14Å; P105-Y403 HydrophobicContact CG-CG 3.52Å; D108-Y403 PolarHBondContact O-N 2.96Å; T390-Y403 WeakPolarHBondContact CA-O 3.24Å; T390-Y403 PolarHBondContact OG1-O 3.15Å |
| 404 | L | 81 | Confident | 87.8 | Confident | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 92.6 | 178.2 | -58.6 | 173.3 | 0 | 0 | 0 | 108.9 | P388 | P388-L404 HydrophobicContact CB-CB 4.33Å; P388-L404 HydrophobicContact CB-CD2 4.19Å; P388-L404 HydrophobicContact CG-CD2 3.73Å |
| 405 | Y | 83.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 102.1 | 164.9 | -163.6 | -111 | 0 | 0 | 0 | 108.3 | F68 Q71 L72 P388 I389 V391 M408 | F68-Y405 WeakPolarHBondContact CD1-OH 3.44Å; F68-Y405 AromaticContact CD2-CE1 3.77Å; F68-Y405 HydrophobicContact CD2-CE1 3.77Å; F68-Y405 AromaticContact CD2-CZ 3.9Å; F68-Y405 WeakPolarHBondContact CD2-OH 3.46Å; F68-Y405 HydrophobicContact CE1-CE1 4.1Å; F68-Y405 AromaticContact CE1-CZ 3.8Å; F68-Y405 VanDerWaalsContact CE1-OH 3.29Å; F68-Y405 WeakPolarHBondContact CE1-OH 3.42Å; F68-Y405 HydrophobicContact CE2-CD1 4.12Å; F68-Y405 AromaticContact CE2-CE1 3.12Å; F68-Y405 HydrophobicContact CE2-CE1 3.12Å; F68-Y405 AromaticContact CE2-CZ 3.58Å; F68-Y405 VanDerWaalsContact CE2-OH 3.28Å; F68-Y405 WeakPolarHBondContact CE2-OH 3.44Å; F68-Y405 VanDerWaalsContact CG-OH 3.23Å; F68-Y405 WeakPolarHBondContact CG-OH 3.49Å; F68-Y405 HydrophobicContact CZ-CD1 4.13Å; F68-Y405 AromaticContact CZ-CE1 3.3Å; F68-Y405 HydrophobicContact CZ-CE1 3.3Å; F68-Y405 AromaticContact CZ-CZ 3.49Å; F68-Y405 VanDerWaalsContact CZ-CZ 3.49Å; F68-Y405 WeakPolarHBondContact CZ-OH 3.27Å; F68-Y405 PolarHBondContact O-OH 2.88Å; Q71-Y405 HydrophobicContact CB-CE2 3.87Å; Q71-Y405 WeakPolarHBondContact CB-OH 3.26Å; Q71-Y405 PolarHBondContact OE1-OH 2.85Å; L72-Y405 HydrophobicContact CD2-CD2 3.5Å; L72-Y405 HydrophobicContact CD2-CE2 3.19Å; L72-Y405 HydrophobicContact CD2-CG 4.46Å; L72-Y405 HydrophobicContact CG-CD2 4.37Å; L72-Y405 HydrophobicContact CG-CE2 3.57Å; P388-Y405 CarbonylContact C-O 3.56Å; P388-Y405 WeakPolarHBondContact CA-O 3.45Å; P388-Y405 VanDerWaalsContact CB-O 3.3Å; P388-Y405 WeakPolarHBondContact CB-O 3.04Å; I389-Y405 PolarHBondContact N-O 3.14Å; I389-Y405 WeakPolarHBondContact O-CB 2.96Å; I389-Y405 PolarHBondContact O-N 3.21Å; V391-Y405 HydrophobicContact CG2-CD1 4.08Å; V391-Y405 HydrophobicContact CG2-CG 4.17Å; Y405-M408 HydrophobicContact CD1-CE 4.15Å; Y405-M408 HydrophobicContact CD1-CG 3.41Å; Y405-M408 VanDerWaalsContact CD1-CG 3.41Å; Y405-M408 HydrophobicContact CD1-SD 3.58Å; Y405-M408 VanDerWaalsContact CD1-SD 3.58Å; Y405-M408 HydrophobicContact CE1-CE 4.19Å; Y405-M408 HydrophobicContact CE1-CG 3.9Å; Y405-M408 HydrophobicContact CE1-SD 3.44Å; Y405-M408 WeakPolarHBondContact CE1-SD 3.3Å; Y405-M408 HydrophobicContact CG-CG 4.4Å; Y405-M408 WeakPolarHBondContact O-CG 3.32Å |
| 406 | E | 83.6 | Confident | 88.3 | Confident | 46 Ų | 46 | 33 Ų | 33 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 164 | -169 | -61.1 | 168.8 | -157.8 | 0 | 0 | 113.1 | E264 M408 | E264-E406 VanDerWaalsContact CD-OE2 3.27Å; E264-E406 WeakPolarHBondContact OE1-CG 3.17Å; E264-E406 VanDerWaalsContact OE2-CD 3.23Å; E406-M408 WeakPolarHBondContact O-CG 3.38Å; E406-M408 PolarHBondContact O-N 3.04Å; E406-M408 VanDerWaalsContact O-N 3.17Å |
| 407 | E | 82.6 | Confident | 88.7 | Confident | 92 Ų | 92 | 28.5 Ų | 28.5 | 43% | 0.43 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.2 | 23.3 | 171.4 | -61.2 | -173.6 | 156.2 | 0 | 0 | 115.8 | Q71 K267 L386 | Q71-E407 PolarHBondContact NE2-OE2 2.93Å; K267-E407 IonicContact NZ-OE1 3.28Å; K267-E407 PolarHBondContact NZ-OE1 3.33Å; L386-E407 HydrophobicContact CB-CB 4.47Å; L386-E407 HydrophobicContact CD1-CB 3.78Å; L386-E407 HydrophobicContact CD1-CG 3.92Å |
| 408 | M | 88.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 27.8 Ų | 27.8 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -34.4 | -171.5 | -73.3 | -60.9 | -75.8 | 0 | 0 | 116.3 | F68 F324 Y339 D387 I389 Y405 E406 | F68-M408 HydrophobicContact CE2-CE 3.93Å; F68-M408 HydrophobicContact CE2-SD 4.07Å; F324-M408 HydrophobicContact CE1-CE 4.22Å; F324-M408 HydrophobicContact CZ-CE 4.12Å; Y339-M408 HydrophobicContact CE1-CE 4.04Å; Y339-M408 HydrophobicContact CE2-CB 4.41Å; Y339-M408 HydrophobicContact CE2-CE 4.49Å; Y339-M408 VanDerWaalsContact CE2-O 3.23Å; Y339-M408 WeakPolarHBondContact CE2-O 3.36Å; Y339-M408 WeakPolarHBondContact OH-CE 3.35Å; Y339-M408 PolarHBondContact OH-O 2.71Å; D387-M408 PolarHBondContact O-N 3.2Å; I389-M408 HydrophobicContact CB-CB 4.45Å; I389-M408 HydrophobicContact CD1-CB 4.04Å; I389-M408 HydrophobicContact CD1-CE 3.7Å; I389-M408 HydrophobicContact CD1-CG 4.12Å; I389-M408 HydrophobicContact CG1-CB 3.79Å; I389-M408 HydrophobicContact CG1-CE 4.42Å; I389-M408 HydrophobicContact CG1-CG 3.84Å; I389-M408 HydrophobicContact CG2-CB 4.05Å; Y405-M408 HydrophobicContact CD1-CE 4.15Å; Y405-M408 HydrophobicContact CD1-CG 3.41Å; Y405-M408 VanDerWaalsContact CD1-CG 3.41Å; Y405-M408 HydrophobicContact CD1-SD 3.58Å; Y405-M408 VanDerWaalsContact CD1-SD 3.58Å; Y405-M408 HydrophobicContact CE1-CE 4.19Å; Y405-M408 HydrophobicContact CE1-CG 3.9Å; Y405-M408 HydrophobicContact CE1-SD 3.44Å; Y405-M408 WeakPolarHBondContact CE1-SD 3.3Å; Y405-M408 HydrophobicContact CG-CG 4.4Å; Y405-M408 WeakPolarHBondContact O-CG 3.32Å; E406-M408 WeakPolarHBondContact O-CG 3.38Å; E406-M408 PolarHBondContact O-N 3.04Å; E406-M408 VanDerWaalsContact O-N 3.17Å |
| 409 | K | 92.5 | Very high | 89.3 | Confident | 42 Ų | 42 | 28.4 Ų | 28.4 | 18% | 0.183 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.6 | 180 | 71.9 | 178.3 | -175.3 | 163.8 | 0 | 111.2 | D340 A341 L386 D387 I389 A411 | D340-K409 WeakPolarHBondContact O-CB 3.44Å; A341-K409 CarbonylContact O-C 3.57Å; A341-K409 VanDerWaalsContact O-CA 3.27Å; A341-K409 WeakPolarHBondContact O-CA 3.3Å; L386-K409 CarbonylContact C-O 3.54Å; L386-K409 VanDerWaalsContact CA-O 3.26Å; L386-K409 WeakPolarHBondContact CA-O 3.25Å; D387-K409 HydrophobicContact CB-CD 3.99Å; D387-K409 HydrophobicContact CB-CG 3.61Å; D387-K409 VanDerWaalsContact CG-CE 3.49Å; D387-K409 PolarHBondContact N-O 2.82Å; D387-K409 WeakPolarHBondContact O-CG 3.26Å; D387-K409 PolarHBondContact O-N 2.93Å; D387-K409 VanDerWaalsContact O-N 3.12Å; D387-K409 WeakPolarHBondContact OD2-CE 3.25Å; D387-K409 IonicContact OD2-NZ 3.39Å; D387-K409 PolarHBondContact OD2-NZ 3.08Å; I389-K409 HydrophobicContact CG2-CD 4.35Å; K409-A411 PolarHBondContact O-N 3.48Å |
| 410 | V | 94.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 7% | 0.073 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119.3 | 174.1 | -179 | 0 | 0 | 0 | 0 | 109.5 | R317 A341 F342 C344 P383 L386 | R317-V410 WeakPolarHBondContact CD-O 3.36Å; R317-V410 HydrophobicContact CG-CG1 4.11Å; A341-V410 PolarHBondContact O-N 2.98Å; F342-V410 HydrophobicContact CB-CB 4.04Å; C344-V410 VanDerWaalsContact SG-CG1 3.56Å; P383-V410 HydrophobicContact CB-CG1 4.21Å; P383-V410 HydrophobicContact CB-CG2 4.13Å; P383-V410 HydrophobicContact CG-CG2 3.87Å; L386-V410 HydrophobicContact CD2-CB 4.48Å; L386-V410 HydrophobicContact CD2-CG2 3.94Å |
| 411 | A | 91.9 | Very high | 88.9 | Confident | 24 Ų | 24 | 31.5 Ų | 31.5 | 20% | 0.198 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R317 K385 D387 K409 | R317-A411 WeakPolarHBondContact CD-O 3.43Å; R317-A411 PolarHBondContact NE-O 3.36Å; K385-A411 HydrophobicContact CB-CB 4.18Å; K385-A411 HydrophobicContact CD-CB 4.12Å; K385-A411 HydrophobicContact CG-CB 4.01Å; K385-A411 PolarHBondContact O-N 2.88Å; D387-A411 HydrophobicContact CB-CB 4.38Å; D387-A411 WeakPolarHBondContact OD1-CB 3.34Å; K409-A411 PolarHBondContact O-N 3.48Å |
| 412 | E | 91.1 | Very high | 88.6 | Confident | 84 Ų | 84 | 33.5 Ų | 33.5 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 143.1 | -175.9 | -60 | 172.3 | -152.5 | 0 | 0 | 111.4 | I384 K385 | I384-E412 HydrophobicContact CD1-CB 4.14Å; I384-E412 HydrophobicContact CG1-CB 3.84Å; I384-E412 WeakPolarHBondContact CG1-O 3.46Å; I384-E412 PolarHBondContact N-O 3.38Å; K385-E412 HydrophobicContact CB-CB 3.85Å; K385-E412 HydrophobicContact CB-CG 4.17Å; K385-E412 HydrophobicContact CD-CG 4.15Å; K385-E412 VanDerWaalsContact CD-OE1 3.26Å; K385-E412 WeakPolarHBondContact CD-OE1 3.21Å; K385-E412 PolarHBondContact N-O 3.04Å; K385-E412 IonicContact NZ-OE1 3.37Å; K385-E412 PolarHBondContact NZ-OE1 2.92Å; K385-E412 PolarHBondContact O-N 3.41Å |
| 413 | C | 92.6 | Very high | 88.5 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.2 | 176 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | R317 C344 T357 V382 | R317-C413 VanDerWaalsContact CA-SG 3.51Å; C344-C413 WeakPolarHBondContact CA-SG 3.37Å; C344-C413 HydrophobicContact CB-CB 3.85Å; C344-C413 WeakPolarHBondContact CB-SG 3.48Å; C344-C413 VanDerWaalsContact SG-CA 3.53Å; C344-C413 WeakPolarHBondContact SG-CB 2.99Å; C344-C413 CovalentContact SG-SG 2.04Å; C344-C413 PolarHBondContact SG-SG 3.28Å; T357-C413 PolarHBondContact OG1-O 2.84Å; V382-C413 WeakPolarHBondContact O-CA 3.1Å |
| 414 | G | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 167.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S356 V382 | S356-G414 CarbonylContact O-C 3.34Å; S356-G414 WeakPolarHBondContact O-CA 3.45Å; V382-G414 PolarHBondContact N-O 3.05Å; V382-G414 PolarHBondContact O-N 3.26Å |
| 415 | C | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.8 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | C348 L352 S356 P358 S359 A362 A379 C380 | C348-C415 HydrophobicContact CB-CB 3.77Å; C348-C415 WeakPolarHBondContact CB-SG 3.46Å; C348-C415 VanDerWaalsContact SG-CA 3.5Å; C348-C415 WeakPolarHBondContact SG-CB 3.15Å; C348-C415 CovalentContact SG-SG 2.03Å; C348-C415 PolarHBondContact SG-SG 3.16Å; L352-C415 HydrophobicContact CD2-CB 4.45Å; S356-C415 PolarHBondContact O-N 3.19Å; P358-C415 HydrophobicContact CB-CB 4.15Å; S359-C415 PolarHBondContact N-O 3.45Å; A362-C415 HydrophobicContact CB-CB 4.34Å; A362-C415 WeakPolarHBondContact CB-O 3.37Å; A379-C415 HydrophobicContact CB-CB 4.49Å; C380-C415 WeakPolarHBondContact O-CA 3.03Å |
| 416 | R | 89.4 | Confident | 90 | Very high | 83 Ų | 83 | 37.6 Ų | 37.6 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | trans | -122.7 | 0 | -179.2 | -66.5 | -66.6 | 176.4 | -93.9 | 4.3 | 112.5 | T357 A379 C380 V382 I384 | T357-R416 PolarHBondContact O-NH1 3.19Å; A379-R416 WeakPolarHBondContact CB-O 3.43Å; C380-R416 PolarHBondContact N-O 2.9Å; C380-R416 VanDerWaalsContact N-O 3.1Å; C380-R416 PolarHBondContact O-N 2.9Å; C380-R416 VanDerWaalsContact O-N 3.08Å; V382-R416 HydrophobicContact CG2-CB 3.79Å; V382-R416 HydrophobicContact CG2-CG 3.57Å; I384-R416 HydrophobicContact CG2-CG 4.23Å |
Retrieved 416 of 416 residues in 499.6 ms
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