| 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 | 51.2 | Low | 53.7 | Low | 230 Ų | 230 | 132.7 Ų | 132.7 | 100% | 1.133 | 69% | 0.691 | S | S | * | * | 0 | 29.5 | 0 | -70.8 | 164.9 | 62.3 | 0 | 0 | 113.3 | |||||
| 2 | N | 53 | Low | 54.8 | Low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | trans | -109.6 | 4.2 | -172.9 | -64.3 | -4.5 | 0 | 0 | 0 | 114.6 | ||||
| 3 | G | 51.5 | Low | 55.9 | Low | 47 Ų | 47 | 135.1 Ų | 135.1 | 49% | 0.485 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -89.8 | -33.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S6 | G3-S6 PolarHBondContact O-OG 3.4Š|
| 4 | L | 49.8 | Very low | 57.2 | Low | 145 Ų | 145 | 132.1 Ų | 132.1 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.6 | -30.3 | -176.8 | -98.3 | 111.6 | 0 | 0 | 0 | 113.5 | S6 L8 | L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.38Å; L4-L8 PolarHBondContact O-N 3.36Å |
| 5 | A | 52.5 | Low | 58 | Low | 66 Ų | 66 | 131.1 Ų | 131.1 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -70.6 | -26.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R9 | A5-R9 PolarHBondContact O-N 3.46Å |
| 6 | S | 54.8 | Low | 59 | Low | 76 Ų | 76 | 129.9 Ų | 129.9 | 53% | 0.531 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -79.9 | -34 | 179.5 | 76.2 | 0 | 0 | 0 | 0 | 112.5 | G3 L4 R10 | G3-S6 PolarHBondContact O-OG 3.4Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.38Å; S6-R10 PolarHBondContact O-N 3.43Å; S6-R10 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 53 | Low | 59.9 | Low | 130 Ų | 130 | 126.6 Ų | 126.6 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.6 | -38.3 | 174.9 | -93.5 | 118.9 | 0 | 0 | 0 | 112.3 | R10 N11 | L7-R10 PolarHBondContact O-N 3.34Å; L7-N11 PolarHBondContact O-N 3.43Å; L7-N11 VanDerWaalsContact O-N 3.1Å |
| 8 | L | 53.8 | Low | 60.6 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.5 | -39.5 | 175.9 | -92.2 | 144.7 | 0 | 0 | 0 | 112.8 | L4 Q12 | L4-L8 PolarHBondContact O-N 3.36Å; L8-Q12 PolarHBondContact O-N 3.43Å; L8-Q12 VanDerWaalsContact O-N 3.09Å |
| 9 | R | 57.4 | Low | 61.1 | Low | 192 Ų | 192 | 126.6 Ų | 126.6 | 73% | 0.725 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.4 | -37 | 174.6 | -82.9 | -171.4 | -173.5 | -154.4 | 1.5 | 113.1 | A5 Q12 F13 | A5-R9 PolarHBondContact O-N 3.46Å; R9-Q12 PolarHBondContact O-N 3.42Å; R9-F13 PolarHBondContact O-N 3.49Å |
| 10 | R | 58.2 | Low | 61.5 | Low | 201 Ų | 201 | 125.3 Ų | 125.3 | 76% | 0.758 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.6 | -37.2 | 179.5 | -140.1 | 174 | -174.8 | -175.2 | 0.4 | 111.4 | S6 L7 I14 | S6-R10 PolarHBondContact O-N 3.43Å; S6-R10 VanDerWaalsContact O-N 3.15Å; L7-R10 PolarHBondContact O-N 3.34Å; R10-I14 WeakPolarHBondContact O-CG1 3.37Å; R10-I14 PolarHBondContact O-N 3.5Å |
| 11 | N | 55.8 | Low | 61.6 | Low | 100 Ų | 100 | 124.1 Ų | 124.1 | 54% | 0.535 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73.3 | -35.5 | 177.4 | -134.7 | 19.2 | 0 | 0 | 0 | 112.5 | L7 F13 I14 L15 | L7-N11 PolarHBondContact O-N 3.43Å; L7-N11 VanDerWaalsContact O-N 3.1Å; N11-F13 VanDerWaalsContact C-N 3.35Å; N11-F13 PolarHBondContact O-N 3.29Å; N11-I14 PolarHBondContact O-N 3.3Å; N11-L15 WeakPolarHBondContact O-CD1 3.27Å; N11-L15 PolarHBondContact O-N 3.4Å |
| 12 | Q | 66 | Low | 62 | Low | 146 Ų | 146 | 119.7 Ų | 119.7 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -39.9 | 173.1 | -112.6 | -173.1 | -8.1 | 0 | 0 | 112.5 | L8 R9 L15 L16 | L8-Q12 PolarHBondContact O-N 3.43Å; L8-Q12 VanDerWaalsContact O-N 3.09Å; R9-Q12 PolarHBondContact O-N 3.42Å; Q12-L15 PolarHBondContact O-N 3.44Å; Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 PolarHBondContact O-N 3.48Å |
| 13 | F | 69.9 | Low | 62.3 | Low | 150 Ų | 150 | 116.9 Ų | 116.9 | 66% | 0.658 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -40.5 | 177 | -107.7 | -89.4 | 0 | 0 | 0 | 112.4 | R9 N11 L16 V17 | R9-F13 PolarHBondContact O-N 3.49Å; N11-F13 VanDerWaalsContact C-N 3.35Å; N11-F13 PolarHBondContact O-N 3.29Å; F13-L16 PolarHBondContact O-N 3.41Å; F13-V17 VanDerWaalsContact O-CG2 3.27Å; F13-V17 WeakPolarHBondContact O-CG2 3.49Å; F13-V17 PolarHBondContact O-N 3.48Å |
| 14 | I | 73.5 | Confident | 62.4 | Low | 93 Ų | 93 | 122.5 Ų | 122.5 | 48% | 0.477 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.2 | -41.8 | 178.4 | -65.8 | 166.4 | 0 | 0 | 0 | 110.6 | R10 N11 L16 V17 L18 | R10-I14 WeakPolarHBondContact O-CG1 3.37Å; R10-I14 PolarHBondContact O-N 3.5Å; N11-I14 PolarHBondContact O-N 3.3Å; I14-L16 PolarHBondContact O-N 3.39Å; I14-V17 PolarHBondContact O-N 3.43Å; I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.5Å |
| 15 | L | 70.3 | Confident | 62.4 | Low | 117 Ų | 117 | 119.9 Ų | 119.9 | 61% | 0.613 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.2 | -39.1 | 173.9 | -98.7 | 116.7 | 0 | 0 | 0 | 112.5 | N11 Q12 L18 F19 | N11-L15 WeakPolarHBondContact O-CD1 3.27Å; N11-L15 PolarHBondContact O-N 3.4Å; Q12-L15 PolarHBondContact O-N 3.44Å; L15-L18 PolarHBondContact O-N 3.09Å; L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 3.1Å |
| 16 | L | 72.9 | Confident | 62.3 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 59% | 0.586 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -39.8 | 178.5 | -149.8 | 99.4 | 0 | 0 | 0 | 111.9 | Q12 F13 I14 F19 L20 | Q12-L16 WeakPolarHBondContact O-CB 3.33Å; Q12-L16 PolarHBondContact O-N 3.48Å; F13-L16 PolarHBondContact O-N 3.41Å; I14-L16 PolarHBondContact O-N 3.39Å; L16-F19 PolarHBondContact O-N 3.18Å; L16-L20 HydrophobicContact CD2-CD1 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.04Å |
| 17 | V | 74.9 | Confident | 62 | Low | 74 Ų | 74 | 122.5 Ų | 122.5 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.5 | -39.6 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | F13 I14 F19 L20 L21 | F13-V17 VanDerWaalsContact O-CG2 3.27Å; F13-V17 WeakPolarHBondContact O-CG2 3.49Å; F13-V17 PolarHBondContact O-N 3.48Å; I14-V17 PolarHBondContact O-N 3.43Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-L20 PolarHBondContact O-N 3.37Å; V17-L21 HydrophobicContact CG1-CD1 4Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 PolarHBondContact O-N 3.15Å |
| 18 | L | 72.3 | Confident | 61.7 | Low | 105 Ų | 105 | 123.3 Ų | 123.3 | 55% | 0.55 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.6 | -36 | 174.1 | -73.9 | 168.3 | 0 | 0 | 0 | 112.2 | I14 L15 Q22 | I14-L18 HydrophobicContact CG2-CD1 3.94Å; I14-L18 WeakPolarHBondContact O-CB 3.45Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.5Å; L15-L18 PolarHBondContact O-N 3.09Å; L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.49Å; L18-Q22 PolarHBondContact O-N 3.34Å; L18-Q22 VanDerWaalsContact O-N 3.15Å |
| 19 | F | 70.6 | Confident | 61 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.9 | -39.5 | 175.3 | -160 | -100.5 | 0 | 0 | 0 | 112 | L15 L16 V17 Q22 I23 | L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 3.1Å; L16-F19 PolarHBondContact O-N 3.18Å; V17-F19 VanDerWaalsContact C-N 3.33Å; F19-Q22 PolarHBondContact O-N 3.49Å; F19-I23 HydrophobicContact CD1-CD1 3.9Å; F19-I23 HydrophobicContact CE1-CD1 3.96Å; F19-I23 WeakPolarHBondContact O-CG1 3.27Å; F19-I23 PolarHBondContact O-N 3.46Å |
| 20 | L | 67.8 | Low | 60.7 | Low | 99 Ų | 99 | 123.3 Ų | 123.3 | 52% | 0.518 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.9 | -35.2 | 175.3 | -72.7 | 165.3 | 0 | 0 | 0 | 112.8 | L16 V17 I23 Q24 | L16-L20 HydrophobicContact CD2-CD1 4.28Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.04Å; V17-L20 PolarHBondContact O-N 3.37Å; L20-I23 PolarHBondContact O-N 2.99Å; L20-Q24 PolarHBondContact O-N 3Å |
| 21 | L | 64.2 | Low | 59.8 | Low | 102 Ų | 102 | 120 Ų | 120 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69 | -31.1 | 174.1 | -85.1 | 157.3 | 0 | 0 | 0 | 112.9 | V17 | V17-L21 HydrophobicContact CG1-CD1 4Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 PolarHBondContact O-N 3.15Å |
| 22 | Q | 59.8 | Low | 58.9 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70 | -33.5 | 173.6 | -70.7 | -96 | -61.8 | 0 | 0 | 112 | L18 F19 Q24 S25 | L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.49Å; L18-Q22 PolarHBondContact O-N 3.34Å; L18-Q22 VanDerWaalsContact O-N 3.15Å; F19-Q22 PolarHBondContact O-N 3.49Å; Q22-Q24 VanDerWaalsContact C-N 3.32Å; Q22-Q24 PolarHBondContact O-N 2.95Å; Q22-S25 PolarHBondContact O-N 3.5Å; Q22-S25 PolarHBondContact O-OG 2.98Å |
| 23 | I | 58.6 | Low | 57.6 | Low | 92 Ų | 92 | 123.6 Ų | 123.6 | 47% | 0.472 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.2 | -30.6 | 178.5 | -65.8 | 165.6 | 0 | 0 | 0 | 111.8 | F19 L20 S25 L26 | F19-I23 HydrophobicContact CD1-CD1 3.9Å; F19-I23 HydrophobicContact CE1-CD1 3.96Å; F19-I23 WeakPolarHBondContact O-CG1 3.27Å; F19-I23 PolarHBondContact O-N 3.46Å; L20-I23 PolarHBondContact O-N 2.99Å; I23-S25 PolarHBondContact O-N 3.42Å; I23-L26 PolarHBondContact O-N 3.35Å |
| 24 | Q | 53.8 | Low | 56.2 | Low | 165 Ų | 165 | 122.2 Ų | 122.2 | 77% | 0.771 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -15.3 | 175.7 | -71.1 | -176 | -27.2 | 0 | 0 | 114 | L20 Q22 | L20-Q24 PolarHBondContact O-N 3Å; Q22-Q24 VanDerWaalsContact C-N 3.32Å; Q22-Q24 PolarHBondContact O-N 2.95Å |
| 25 | S | 50.5 | Low | 54.6 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -11 | 174.1 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | Q22 I23 G27 | Q22-S25 PolarHBondContact O-N 3.5Å; Q22-S25 PolarHBondContact O-OG 2.98Å; I23-S25 PolarHBondContact O-N 3.42Å; S25-G27 VanDerWaalsContact C-N 3.34Å; S25-G27 PolarHBondContact O-N 3.5Å |
| 26 | L | 49.2 | Very low | 53.5 | Low | 136 Ų | 136 | 122.5 Ų | 122.5 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | trans | -98.8 | 60.8 | 171.4 | -72 | 164 | 0 | 0 | 0 | 109 | I23 L28 | I23-L26 PolarHBondContact O-N 3.35Å; L26-L28 VanDerWaalsContact C-N 3.26Å; L26-L28 PolarHBondContact O-N 3.15Å | ||
| 27 | G | 49.6 | Very low | 52.1 | Low | 62 Ų | 62 | 124.9 Ų | 124.9 | 64% | 0.639 | 68% | 0.681 | S | S | * | * | trans | -64.7 | 88.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S25 D29 | S25-G27 VanDerWaalsContact C-N 3.34Å; S25-G27 PolarHBondContact O-N 3.5Å; G27-D29 PolarHBondContact O-N 3.37Å | ||
| 28 | L | 46.4 | Very low | 50.7 | Low | 147 Ų | 147 | 127 Ų | 127 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -79.4 | 92.7 | 156.7 | -75.5 | 171.4 | 0 | 0 | 0 | 106.6 | L26 I30 | L26-L28 VanDerWaalsContact C-N 3.26Å; L26-L28 PolarHBondContact O-N 3.15Å; L28-I30 VanDerWaalsContact C-N 3.28Å; L28-I30 HydrophobicContact CB-CG1 4.37Å; L28-I30 PolarHBondContact O-N 2.98Å | ||
| 29 | D | 39.4 | Very low | 49.5 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 87% | 0.866 | 70% | 0.7 | S | S | * | * | trans | -62.4 | 92.8 | 164 | -76.8 | -43.8 | 0 | 0 | 0 | 108.6 | G27 | G27-D29 PolarHBondContact O-N 3.37Š| ||
| 30 | I | 50.3 | Low | 48.2 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | trans | -103.9 | 76.2 | 165.1 | -55.2 | 173.9 | 0 | 0 | 0 | 106.7 | L28 | L28-I30 VanDerWaalsContact C-N 3.28Å; L28-I30 HydrophobicContact CB-CG1 4.37Å; L28-I30 PolarHBondContact O-N 2.98Å | ||
| 31 | D | 39.1 | Very low | 47.5 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -157.3 | 67.6 | 150.1 | -157.4 | 8.7 | 0 | 0 | 0 | 111.1 | ||||
| 32 | S | 37.8 | Very low | 46.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -116.6 | 94.5 | 150.6 | 61.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 33 | R | 38.5 | Very low | 46 | Very low | 211 Ų | 211 | 127.9 Ų | 127.9 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | -41.7 | 123 | 164.2 | -66 | 176.4 | -173.9 | -170.3 | -0.2 | 108.6 | T35 | R33-T35 PolarHBondContact O-N 3.27Š| ||
| 34 | P | 40.4 | Very low | 45.5 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | -67.5 | 107.7 | 163.4 | 27.4 | -26.5 | 0 | 0 | 0 | 105.1 | A36 | P34-A36 PolarHBondContact O-N 3.4Š| ||
| 35 | T | 40.3 | Very low | 45.1 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -50.5 | 116 | 159.7 | 45.7 | 0 | 0 | 0 | 0 | 105.3 | R33 E37 | R33-T35 PolarHBondContact O-N 3.27Å; T35-E37 VanDerWaalsContact C-N 3.33Å; T35-E37 PolarHBondContact O-N 3.36Å | ||
| 36 | A | 46.8 | Very low | 45.4 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -53 | 98.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P34 V38 | P34-A36 PolarHBondContact O-N 3.4Å; A36-V38 HydrophobicContact CB-CG2 4.37Å; A36-V38 PolarHBondContact O-N 2.74Å | ||
| 37 | E | 43.1 | Very low | 45.5 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | -78.7 | 81.6 | 168.5 | -157.4 | 173.8 | -165.1 | 0 | 0 | 105.5 | T35 C39 | T35-E37 VanDerWaalsContact C-N 3.33Å; T35-E37 PolarHBondContact O-N 3.36Å; E37-C39 VanDerWaalsContact C-N 3.33Å; E37-C39 PolarHBondContact O-N 3.22Å | ||
| 38 | V | 46.1 | Very low | 46 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | trans | -56.8 | 101.2 | 172.5 | 177.3 | 0 | 0 | 0 | 0 | 106.5 | A36 A40 | A36-V38 HydrophobicContact CB-CG2 4.37Å; A36-V38 PolarHBondContact O-N 2.74Å; V38-A40 PolarHBondContact O-N 3.23Å | ||
| 39 | C | 48 | Very low | 46.6 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | trans | -68.3 | 82.4 | 172.7 | -73.6 | 0 | 0 | 0 | 0 | 108.9 | E37 T41 | E37-C39 VanDerWaalsContact C-N 3.33Å; E37-C39 PolarHBondContact O-N 3.22Å; C39-T41 PolarHBondContact O-N 3.44Å | ||
| 40 | A | 42.9 | Very low | 47.5 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | trans | -75.6 | 119.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | V38 H42 | V38-A40 PolarHBondContact O-N 3.23Å; A40-H42 PolarHBondContact O-N 3.44Å | ||
| 41 | T | 53 | Low | 48 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -51.6 | 125.9 | 170 | 43.7 | 0 | 0 | 0 | 0 | 110.6 | C39 | C39-T41 PolarHBondContact O-N 3.44Š|
| 42 | H | 49.1 | Very low | 49.2 | Very low | 191 Ų | 191 | 123.9 Ų | 123.9 | 88% | 0.884 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 60.3 | 66.1 | 166 | -90 | -73.8 | 0 | 0 | 0 | 117.3 | A40 | A40-H42 PolarHBondContact O-N 3.44Š|
| 43 | T | 42.7 | Very low | 50.1 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | trans | -137.9 | 113.8 | 155.3 | -55.5 | 0 | 0 | 0 | 0 | 110 | S45 | T43-S45 PolarHBondContact O-N 2.97Š| ||
| 44 | I | 48.1 | Very low | 51.2 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -76.9 | 108.4 | 166.8 | -59.9 | 169.4 | 0 | 0 | 0 | 105.9 | P46 | I44-P46 WeakPolarHBondContact O-CD 3.46Š| ||
| 45 | S | 45.5 | Very low | 52.2 | Low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -67 | 125.1 | 171.3 | -43.4 | 0 | 0 | 0 | 0 | 108.9 | T43 G47 | T43-S45 PolarHBondContact O-N 2.97Å; S45-G47 PolarHBondContact O-N 3.46Å |
| 46 | P | 56.6 | Low | 52.9 | Low | 123 Ų | 123 | 121.3 Ų | 121.3 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135 | 171.1 | -22.7 | 33.5 | 0 | 0 | 0 | 110 | I44 | I44-P46 WeakPolarHBondContact O-CD 3.46Š|
| 47 | G | 52.6 | Low | 53.6 | Low | 48 Ų | 48 | 124.4 Ų | 124.4 | 50% | 0.495 | 73% | 0.728 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 162.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S45 | S45-G47 PolarHBondContact O-N 3.46Š|
| 48 | P | 59.2 | Low | 54.5 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 144.8 | 178.1 | 23.9 | -33 | 0 | 0 | 0 | 111.2 | G50 | P48-G50 PolarHBondContact O-N 3.31Š|
| 49 | K | 59.9 | Low | 55.1 | Low | 179 Ų | 179 | 120.4 Ų | 120.4 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 131.2 | 174.3 | -172.9 | -170.6 | 172.1 | -156.4 | 0 | 108 | D52 | K49-D52 IonicContact NZ-OD1 2.64Š|
| 50 | G | 57.1 | Low | 55.8 | Low | 40 Ų | 40 | 124.8 Ų | 124.8 | 41% | 0.412 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -59 | 154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P48 | P48-G50 PolarHBondContact O-N 3.31Š|
| 51 | D | 61.8 | Low | 56.8 | Low | 158 Ų | 158 | 130 Ų | 130 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 149.7 | -179.4 | -61.2 | -44.6 | 0 | 0 | 0 | 111.7 | ||
| 52 | D | 64.5 | Low | 57.1 | Low | 138 Ų | 138 | 126.6 Ų | 126.6 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.2 | 176.2 | -70.8 | -24.8 | 0 | 0 | 0 | 109.7 | K49 | K49-D52 IonicContact NZ-OD1 2.64Š|
| 53 | G | 56 | Low | 57.7 | Low | 59 Ų | 59 | 127.3 Ų | 127.3 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 153.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 54 | E | 62.3 | Low | 58.5 | Low | 192 Ų | 192 | 130.5 Ų | 130.5 | 90% | 0.897 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.2 | 180 | -66.9 | -172.1 | 153.9 | 0 | 0 | 112.2 | G56 | E54-G56 PolarHBondContact O-N 3.33Š|
| 55 | K | 60 | Low | 58.8 | Low | 202 Ų | 202 | 126.7 Ų | 126.7 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.1 | 177.8 | -173.6 | -178.8 | -179.5 | -176.8 | 0 | 109.2 | ||
| 56 | G | 56.3 | Low | 59.5 | Low | 64 Ų | 64 | 132.2 Ų | 132.2 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 151 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E54 | E54-G56 PolarHBondContact O-N 3.33Š|
| 57 | D | 60.2 | Low | 59.9 | Low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 153.2 | -177.2 | -64.8 | -48.7 | 0 | 0 | 0 | 113.3 | ||
| 58 | P | 63 | Low | 60 | Low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.4 | 170.9 | -21.3 | 32.9 | 0 | 0 | 0 | 111.7 | ||
| 59 | G | 58.1 | Low | 60.1 | Low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 148.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 60 | E | 62.8 | Low | 60.2 | Low | 192 Ų | 192 | 140.7 Ų | 140.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148.4 | -179.7 | -65.6 | -149.4 | 153.3 | 0 | 0 | 113.1 | ||
| 61 | E | 64.7 | Low | 60.3 | Low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 137.8 | 177.8 | -165 | 175.2 | -177 | 0 | 0 | 111.3 | ||
| 62 | G | 57.6 | Low | 60.5 | Low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H64 | G62-H64 PolarHBondContact O-N 2.89Š|
| 63 | K | 63.3 | Low | 60.4 | Low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.8 | 177.1 | -63.2 | -176.8 | -179 | 179.3 | 0 | 110.6 | G65 | K63-G65 PolarHBondContact O-N 3.3Š|
| 64 | H | 58.4 | Low | 60.7 | Low | 179 Ų | 179 | 144.2 Ų | 144.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.3 | 176.2 | -86.3 | 63.4 | 0 | 0 | 0 | 111.4 | G62 | G62-H64 PolarHBondContact O-N 2.89Š|
| 65 | G | 55.3 | Low | 60.6 | Low | 73 Ų | 73 | 143.7 Ų | 143.7 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | K63 V67 | K63-G65 PolarHBondContact O-N 3.3Å; G65-V67 PolarHBondContact O-N 3.35Å |
| 66 | K | 59.7 | Low | 60.1 | Low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.3 | 178.8 | -62.3 | -178 | -178.5 | -179.3 | 0 | 110 | G68 | K66-G68 PolarHBondContact O-N 2.91Š|
| 67 | V | 65.1 | Low | 60.1 | Low | 144 Ų | 144 | 144.3 Ų | 144.3 | 87% | 0.873 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 131.3 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | G65 | G65-V67 PolarHBondContact O-N 3.35Š|
| 68 | G | 53.7 | Low | 59.8 | Low | 66 Ų | 66 | 146.7 Ų | 146.7 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 143.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K66 M70 | K66-G68 PolarHBondContact O-N 2.91Å; G68-M70 PolarHBondContact O-N 2.97Å |
| 69 | R | 62.2 | Low | 59.2 | Low | 252 Ų | 252 | 149.9 Ų | 149.9 | 95% | 0.951 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 131.7 | 178.5 | -68.3 | -177.5 | 176.2 | -172 | -1.5 | 109.7 | G71 | R69-G71 PolarHBondContact O-N 3.4Š|
| 70 | M | 62.6 | Low | 58.7 | Low | 188 Ų | 188 | 149.5 Ų | 149.5 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.7 | 172.4 | -165.2 | 161.2 | 63.7 | 0 | 0 | 109.2 | G68 | G68-M70 PolarHBondContact O-N 2.97Š|
| 71 | G | 59.3 | Low | 57.9 | Low | 59 Ų | 59 | 148.5 Ų | 148.5 | 61% | 0.608 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 150.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R69 K73 | R69-G71 PolarHBondContact O-N 3.4Å; G71-K73 PolarHBondContact O-N 2.98Å |
| 72 | P | 64.6 | Low | 56.9 | Low | 131 Ų | 131 | 148.2 Ų | 148.2 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 136.3 | -179 | 24.1 | -32.5 | 0 | 0 | 0 | 111 | G74 | P72-G74 PolarHBondContact O-N 3.29Š|
| 73 | K | 63.3 | Low | 56.3 | Low | 211 Ų | 211 | 148.2 Ų | 148.2 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.7 | 174.6 | -155.5 | 177.2 | -175 | -178.4 | 0 | 108.2 | G71 | G71-K73 PolarHBondContact O-N 2.98Š|
| 74 | G | 61.1 | Low | 55.7 | Low | 69 Ų | 69 | 146.6 Ų | 146.6 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P72 | P72-G74 PolarHBondContact O-N 3.29Š|
| 75 | I | 61 | Low | 55.2 | Low | 181 Ų | 181 | 147.3 Ų | 147.3 | 93% | 0.928 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 132.9 | 168.1 | 43.9 | 170.8 | 0 | 0 | 0 | 110.3 | ||
| 76 | K | 49.7 | Very low | 55.2 | Low | 209 Ų | 209 | 147.1 Ų | 147.1 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -119.1 | 130.8 | 174.6 | -166.1 | 170.1 | -179.6 | 179 | 0 | 109.6 | ||||
| 77 | G | 56.3 | Low | 55 | Low | 70 Ų | 70 | 145.3 Ų | 145.3 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | trans | -85.8 | -169.8 | -160.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 78 | E | 54.7 | Low | 54.6 | Low | 202 Ų | 202 | 146.8 Ų | 146.8 | 94% | 0.944 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -56.9 | 155.2 | -178 | -70.3 | -179.7 | 152.5 | 0 | 0 | 114.1 | ||
| 79 | L | 49.3 | Very low | 54.7 | Low | 190 Ų | 190 | 146.8 Ų | 146.8 | 100% | 0.995 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -61.8 | 126 | -168.3 | -172.4 | 72.1 | 0 | 0 | 0 | 113.7 | ||
| 80 | G | 48.3 | Very low | 54.5 | Low | 66 Ų | 66 | 144.9 Ų | 144.9 | 68% | 0.68 | 84% | 0.837 | S | S | * | * | trans | 171.6 | 146.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | D | 46.1 | Very low | 54.6 | Low | 171 Ų | 171 | 142.9 Ų | 142.9 | 91% | 0.914 | 84% | 0.836 | S | S | * | * | trans | -63.9 | 165.8 | -162.7 | -65 | -54 | 0 | 0 | 0 | 117.7 | ||||
| 82 | I | 43 | Very low | 54.3 | Low | 175 Ų | 175 | 142.7 Ų | 142.7 | 90% | 0.897 | 83% | 0.834 | S | S | * | * | trans | -72 | 146.8 | -156.9 | -68.3 | 162.1 | 0 | 0 | 0 | 117.7 | ||||
| 83 | G | 46.4 | Very low | 54.1 | Low | 62 Ų | 62 | 142.7 Ų | 142.7 | 64% | 0.639 | 83% | 0.834 | S | S | * | * | trans | 131.5 | 132.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 84 | D | 49.9 | Very low | 54.2 | Low | 172 Ų | 172 | 140.8 Ų | 140.8 | 92% | 0.92 | 83% | 0.832 | S | S | * | * | cis | -144 | 169.6 | 21.4 | -73.1 | -39.4 | 0 | 0 | 0 | 112.9 | ||||
| 85 | Q | 48.6 | Very low | 54 | Low | 195 Ų | 195 | 140.7 Ų | 140.7 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 139.4 | -169.5 | -176.3 | 175.4 | -22.5 | 0 | 0 | 115.7 | ||
| 86 | G | 53.8 | Low | 54.3 | Low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -88 | 159.1 | -170 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 87 | N | 55.4 | Low | 55.2 | Low | 171 Ų | 171 | 141.9 Ų | 141.9 | 91% | 0.914 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 142.4 | 178.3 | -68.4 | -40.4 | 0 | 0 | 0 | 113.5 | ||
| 88 | I | 58.3 | Low | 55.4 | Low | 174 Ų | 174 | 141.6 Ų | 141.6 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133 | 179.9 | -64.6 | 170.3 | 0 | 0 | 0 | 111.3 | ||
| 89 | G | 56.1 | Low | 55.9 | Low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 151.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 90 | K | 57.1 | Low | 56.7 | Low | 212 Ų | 212 | 140.8 Ų | 140.8 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.4 | 179.1 | -62.6 | 179.2 | 179.1 | 179.9 | 0 | 111.8 | ||
| 91 | T | 64.9 | Low | 57.1 | Low | 146 Ų | 146 | 140.8 Ų | 140.8 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136 | 175.4 | -50.1 | 0 | 0 | 0 | 0 | 112 | ||
| 92 | G | 53.7 | Low | 58.1 | Low | 56 Ų | 56 | 141.8 Ų | 141.8 | 58% | 0.577 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 163.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 93 | P | 60.2 | Low | 59.2 | Low | 131 Ų | 131 | 143.3 Ų | 143.3 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 145.8 | -179.3 | 27.6 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 94 | I | 64.6 | Low | 59.8 | Low | 171 Ų | 171 | 143.6 Ų | 143.6 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.8 | 173.6 | -70.6 | 168.9 | 0 | 0 | 0 | 109.9 | ||
| 95 | G | 57.8 | Low | 60.5 | Low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 151.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 96 | K | 66.3 | Low | 61.2 | Low | 211 Ų | 211 | 142.6 Ų | 142.6 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.7 | 177.7 | -60.7 | -174.2 | 179.1 | -177.2 | 0 | 110.7 | G98 | K96-G98 PolarHBondContact O-N 2.75Š|
| 97 | K | 68.5 | Low | 61.4 | Low | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.1 | 172.3 | -174 | 176.2 | -178.4 | 176.2 | 0 | 109.4 | ||
| 98 | G | 59.8 | Low | 62.2 | Low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 153 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K96 | K96-G98 PolarHBondContact O-N 2.75Š|
| 99 | D | 64.8 | Low | 63 | Low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 150.8 | 178.9 | -61.6 | -47.4 | 0 | 0 | 0 | 111.5 | G101 | D99-G101 PolarHBondContact O-N 2.93Š|
| 100 | K | 66.4 | Low | 63.4 | Low | 208 Ų | 208 | 138 Ų | 138 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130.2 | 175.3 | -174.7 | 177.3 | -179.9 | 178.3 | 0 | 108.9 | ||
| 101 | G | 58.4 | Low | 64.2 | Low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 149 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D99 | D99-G101 PolarHBondContact O-N 2.93Š|
| 102 | E | 66.6 | Low | 64.7 | Low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149 | 179.7 | -66.5 | -175.5 | 158.5 | 0 | 0 | 111.4 | G104 | E102-G104 PolarHBondContact O-N 3.36Š|
| 103 | K | 64.9 | Low | 65.2 | Low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 131.7 | 177.3 | -155.6 | 178.9 | -173.9 | -177.1 | 0 | 108.3 | ||
| 104 | G | 59.1 | Low | 65.7 | Low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 149 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E102 | E102-G104 PolarHBondContact O-N 3.36Š|
| 105 | L | 64.6 | Low | 65.9 | Low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 147.8 | 179.9 | -65 | 170.4 | 0 | 0 | 0 | 111 | G107 | L105-G107 PolarHBondContact O-N 3.46Š|
| 106 | L | 63.4 | Low | 66 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.1 | 173.4 | -104.1 | 105.1 | 0 | 0 | 0 | 110 | ||
| 107 | G | 58.6 | Low | 65.8 | Low | 56 Ų | 56 | 134.9 Ų | 134.9 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 145.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L105 | L105-G107 PolarHBondContact O-N 3.46Š|
| 108 | I | 71.1 | Confident | 65.7 | Low | 154 Ų | 154 | 131.6 Ų | 131.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.2 | 179.6 | -55.4 | 172.1 | 0 | 0 | 0 | 108.2 | G110 | I108-G110 PolarHBondContact O-N 3.42Š|
| 109 | P | 76.3 | Confident | 65.7 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.1 | 174 | -25.8 | 34.5 | 0 | 0 | 0 | 111.5 | ||
| 110 | G | 65.3 | Low | 65.9 | Low | 56 Ų | 56 | 130.1 Ų | 130.1 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 149.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I108 | I108-G110 PolarHBondContact O-N 3.42Š|
| 111 | E | 73.6 | Confident | 66 | Low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 143.7 | 179.6 | -66.4 | -165 | 151 | 0 | 0 | 111.5 | G113 | E111-G113 PolarHBondContact O-N 3.05Š|
| 112 | K | 73.9 | Confident | 66.7 | Low | 205 Ų | 205 | 122 Ų | 122 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.4 | 177.3 | -171.3 | 177.2 | -179.7 | 178.8 | 0 | 109.4 | ||
| 113 | G | 64.9 | Low | 67.1 | Low | 45 Ų | 45 | 122 Ų | 122 | 46% | 0.464 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 149.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E111 | E111-G113 PolarHBondContact O-N 3.05Š|
| 114 | K | 70.3 | Confident | 67.8 | Low | 200 Ų | 200 | 120.3 Ų | 120.3 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 142.8 | 178.9 | -65.8 | 179.8 | -179.1 | 175.9 | 0 | 110.7 | ||
| 115 | A | 70.3 | Confident | 69.1 | Low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 116 | G | 59.4 | Low | 70.1 | Confident | 55 Ų | 55 | 126.7 Ų | 126.7 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 153.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 117 | T | 62.3 | Low | 71.2 | Confident | 138 Ų | 138 | 124.3 Ų | 124.3 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 136.6 | 177 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 118 | V | 65.4 | Low | 72.7 | Confident | 136 Ų | 136 | 125.3 Ų | 125.3 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 125.1 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | D120 | V118-D120 PolarHBondContact O-N 3.28Š|
| 119 | C | 61 | Low | 73.6 | Confident | 92 Ų | 92 | 119.4 Ų | 119.4 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | trans | -73.6 | 107.5 | 169 | -73.1 | 0 | 0 | 0 | 0 | 110.4 | C121 | C119-C121 PolarHBondContact O-N 3.05Š| ||
| 120 | D | 68.9 | Low | 74.4 | Confident | 108 Ų | 108 | 119.9 Ų | 119.9 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | trans | -80.4 | 81.1 | 176.6 | -178 | 17.9 | 0 | 0 | 0 | 111.8 | V118 G122 R123 | V118-D120 PolarHBondContact O-N 3.28Å; D120-G122 PolarHBondContact O-N 2.87Å; D120-G122 VanDerWaalsContact OD1-CA 3.25Å; D120-G122 WeakPolarHBondContact OD1-CA 3.25Å; D120-G122 PolarHBondContact OD1-N 3.32Å; D120-R123 PolarHBondContact OD1-N 2.83Å | ||
| 121 | C | 67.2 | Low | 75.7 | Confident | 69 Ų | 69 | 121 Ų | 121 | 47% | 0.466 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.5 | -10.7 | 168.3 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | C119 Y124 R125 | C119-C121 PolarHBondContact O-N 3.05Å; C121-Y124 PolarHBondContact O-N 3.21Å; C121-R125 WeakPolarHBondContact O-CB 3.45Å; C121-R125 PolarHBondContact O-N 2.87Å |
| 122 | G | 73.3 | Confident | 76.7 | Confident | 34 Ų | 34 | 116.9 Ų | 116.9 | 35% | 0.351 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.5 | -35.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D120 R125 K126 | D120-G122 PolarHBondContact O-N 2.87Å; D120-G122 VanDerWaalsContact OD1-CA 3.25Å; D120-G122 WeakPolarHBondContact OD1-CA 3.25Å; D120-G122 PolarHBondContact OD1-N 3.32Å; G122-R125 PolarHBondContact O-N 2.98Å; G122-K126 PolarHBondContact O-N 3.02Å |
| 123 | R | 74.6 | Confident | 77.8 | Confident | 194 Ų | 194 | 112.9 Ų | 112.9 | 73% | 0.732 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.9 | -46.8 | 175 | -173.2 | 176 | -178 | 176.2 | -0.1 | 112.1 | D120 | D120-R123 PolarHBondContact OD1-N 2.83Å |
| 124 | Y | 80.4 | Confident | 79.2 | Confident | 170 Ų | 170 | 113.7 Ų | 113.7 | 67% | 0.667 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.9 | -36.3 | 179.5 | -65.4 | -71 | 0 | 0 | 0 | 112.4 | C121 K126 F127 V128 | C121-Y124 PolarHBondContact O-N 3.21Å; Y124-K126 VanDerWaalsContact C-N 3.29Å; Y124-K126 PolarHBondContact O-N 3.45Å; Y124-F127 PolarHBondContact O-N 3.31Å; Y124-F127 VanDerWaalsContact O-N 3.13Å; Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.49Å |
| 125 | R | 86.2 | Confident | 80.4 | Confident | 211 Ų | 211 | 107.9 Ų | 107.9 | 80% | 0.796 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.8 | -40 | 177.8 | -171.4 | 179.8 | -179.7 | 106.7 | -0.5 | 112.8 | C121 G122 G129 | C121-R125 WeakPolarHBondContact O-CB 3.45Å; C121-R125 PolarHBondContact O-N 2.87Å; G122-R125 PolarHBondContact O-N 2.98Å; R125-G129 PolarHBondContact O-N 3.13Å |
| 126 | K | 85.6 | Confident | 81.6 | Confident | 165 Ų | 165 | 105.6 Ų | 105.6 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -42.9 | 176.4 | -71.9 | -179.1 | -178.8 | 177.4 | 0 | 111.8 | G122 Y124 Q130 | G122-K126 PolarHBondContact O-N 3.02Å; Y124-K126 VanDerWaalsContact C-N 3.29Å; Y124-K126 PolarHBondContact O-N 3.45Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.89Å |
| 127 | F | 87.1 | Confident | 83.3 | Confident | 123 Ų | 123 | 112.2 Ų | 112.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.5 | -46.5 | 179.7 | -175.5 | -104.1 | 0 | 0 | 0 | 112.2 | Y124 G129 Q130 L131 | Y124-F127 PolarHBondContact O-N 3.31Å; Y124-F127 VanDerWaalsContact O-N 3.13Å; F127-G129 VanDerWaalsContact C-N 3.33Å; F127-G129 PolarHBondContact O-N 3.32Å; F127-Q130 PolarHBondContact O-N 2.97Å; F127-L131 HydrophobicContact CD1-CD1 3.81Å; F127-L131 HydrophobicContact CD1-CG 4.49Å; F127-L131 HydrophobicContact CE1-CD1 3.41Å; F127-L131 VanDerWaalsContact CE1-CD1 3.41Å; F127-L131 HydrophobicContact CE1-CG 4.18Å; F127-L131 HydrophobicContact CZ-CD1 4Å; F127-L131 HydrophobicContact CZ-CG 4.36Å; F127-L131 PolarHBondContact O-N 3.47Å |
| 128 | V | 90.5 | Very high | 84.9 | Confident | 76 Ų | 76 | 111 Ų | 111 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.5 | -44 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | Y124 Q130 L131 D132 | Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.49Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.1Å; V128-L131 WeakPolarHBondContact O-CB 3.34Å; V128-L131 PolarHBondContact O-N 3.03Å; V128-L131 VanDerWaalsContact O-N 3.15Å; V128-D132 PolarHBondContact O-N 3.43Å |
| 129 | G | 89.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 111.3 Ų | 111.3 | 31% | 0.309 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.2 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R125 F127 D132 I133 | R125-G129 PolarHBondContact O-N 3.13Å; F127-G129 VanDerWaalsContact C-N 3.33Å; F127-G129 PolarHBondContact O-N 3.32Å; G129-D132 PolarHBondContact O-N 2.82Å; G129-I133 WeakPolarHBondContact O-CD1 3.44Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.39Å; G129-I133 PolarHBondContact O-N 2.82Å; G129-I133 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 92.4 | Very high | 87.8 | Confident | 127 Ų | 127 | 111.6 Ų | 111.6 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -38.2 | 174.5 | -76.7 | 177.9 | -12.1 | 0 | 0 | 112.5 | K126 F127 V128 S134 | K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.89Å; F127-Q130 PolarHBondContact O-N 2.97Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.1Å; Q130-S134 WeakPolarHBondContact O-CB 3.5Å; Q130-S134 PolarHBondContact O-N 3.42Å; Q130-S134 PolarHBondContact O-OG 3.16Å |
| 131 | L | 93.8 | Very high | 88.9 | Confident | 80 Ų | 80 | 109.3 Ų | 109.3 | 42% | 0.419 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 174.2 | -75.8 | 172.2 | 0 | 0 | 0 | 111.5 | F127 V128 I133 S134 I135 | F127-L131 HydrophobicContact CD1-CD1 3.81Å; F127-L131 HydrophobicContact CD1-CG 4.49Å; F127-L131 HydrophobicContact CE1-CD1 3.41Å; F127-L131 VanDerWaalsContact CE1-CD1 3.41Å; F127-L131 HydrophobicContact CE1-CG 4.18Å; F127-L131 HydrophobicContact CZ-CD1 4Å; F127-L131 HydrophobicContact CZ-CG 4.36Å; F127-L131 PolarHBondContact O-N 3.47Å; V128-L131 WeakPolarHBondContact O-CB 3.34Å; V128-L131 PolarHBondContact O-N 3.03Å; V128-L131 VanDerWaalsContact O-N 3.15Å; L131-I133 VanDerWaalsContact C-N 3.34Å; L131-I133 PolarHBondContact O-N 3.46Å; L131-S134 WeakPolarHBondContact O-CB 3.29Å; L131-S134 PolarHBondContact O-N 3.15Å; L131-S134 VanDerWaalsContact O-N 3.1Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 2.9Å |
| 132 | D | 94 | Very high | 90 | Very high | 98 Ų | 98 | 111.4 Ų | 111.4 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.6 | -73.8 | -29 | 0 | 0 | 0 | 111.9 | V128 G129 S134 I135 A136 | V128-D132 PolarHBondContact O-N 3.43Å; G129-D132 PolarHBondContact O-N 2.82Å; D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 PolarHBondContact O-N 3.38Å; D132-I135 PolarHBondContact O-N 3.11Å; D132-A136 WeakPolarHBondContact O-CB 3.4Å; D132-A136 PolarHBondContact O-N 3.33Å |
| 133 | I | 95.6 | Very high | 90.7 | Very high | 120 Ų | 120 | 116.5 Ų | 116.5 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.4 | -43.1 | 174.4 | -67.6 | 165 | 0 | 0 | 0 | 110.6 | G129 L131 A136 R137 | G129-I133 WeakPolarHBondContact O-CD1 3.44Å; G129-I133 VanDerWaalsContact O-CG1 3.29Å; G129-I133 WeakPolarHBondContact O-CG1 3.39Å; G129-I133 PolarHBondContact O-N 2.82Å; G129-I133 VanDerWaalsContact O-N 3.11Å; L131-I133 VanDerWaalsContact C-N 3.34Å; L131-I133 PolarHBondContact O-N 3.46Å; I133-A136 PolarHBondContact O-N 3.34Å; I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 2.9Å |
| 134 | S | 95.2 | Very high | 91.4 | Very high | 62 Ų | 62 | 112.6 Ų | 112.6 | 43% | 0.434 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 179.6 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | Q130 L131 D132 R137 L138 | Q130-S134 WeakPolarHBondContact O-CB 3.5Å; Q130-S134 PolarHBondContact O-N 3.42Å; Q130-S134 PolarHBondContact O-OG 3.16Å; L131-S134 WeakPolarHBondContact O-CB 3.29Å; L131-S134 PolarHBondContact O-N 3.15Å; L131-S134 VanDerWaalsContact O-N 3.1Å; D132-S134 VanDerWaalsContact C-N 3.32Å; D132-S134 PolarHBondContact O-N 3.38Å; S134-R137 PolarHBondContact O-N 3.11Å; S134-L138 WeakPolarHBondContact O-CB 3.43Å; S134-L138 VanDerWaalsContact O-CG 3.31Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 3.49Å |
| 135 | I | 95.9 | Very high | 91.6 | Very high | 78 Ų | 78 | 108 Ų | 108 | 40% | 0.4 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.2 | -70.1 | 168.7 | 0 | 0 | 0 | 110.5 | L131 D132 R137 L138 K139 | L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 2.9Å; D132-I135 PolarHBondContact O-N 3.11Å; I135-R137 PolarHBondContact O-N 2.88Å; I135-L138 PolarHBondContact O-N 3.32Å; I135-K139 HydrophobicContact CG2-CD 4.03Å; I135-K139 HydrophobicContact CG2-CG 4.41Å; I135-K139 WeakPolarHBondContact O-CB 3.31Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.42Å; I135-K139 PolarHBondContact O-N 3.35Å |
| 136 | A | 95.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 101.3 Ų | 101.3 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D132 I133 L138 K139 T140 | D132-A136 WeakPolarHBondContact O-CB 3.4Å; D132-A136 PolarHBondContact O-N 3.33Å; I133-A136 PolarHBondContact O-N 3.34Å; A136-L138 PolarHBondContact O-N 2.9Å; A136-K139 PolarHBondContact O-N 2.87Å; A136-T140 PolarHBondContact O-N 3.4Å; A136-T140 PolarHBondContact O-OG1 3.38Å; A136-T140 VanDerWaalsContact O-OG1 3.11Å |
| 137 | R | 95.3 | Very high | 91.1 | Very high | 193 Ų | 193 | 97.5 Ų | 97.5 | 73% | 0.728 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 176.8 | -172.5 | 176.6 | -179.8 | 174.7 | 0.6 | 112.2 | I133 S134 I135 T140 S141 | I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 2.9Å; S134-R137 PolarHBondContact O-N 3.11Å; I135-R137 PolarHBondContact O-N 2.88Å; R137-T140 PolarHBondContact O-N 3.5Å; R137-S141 WeakPolarHBondContact O-CB 3.31Å; R137-S141 PolarHBondContact O-N 2.98Å; R137-S141 PolarHBondContact O-OG 3.46Å |
| 138 | L | 94.9 | Very high | 90.8 | Very high | 113 Ų | 113 | 96.4 Ų | 96.4 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 175.8 | -74 | 171.1 | 0 | 0 | 0 | 111.5 | S134 I135 A136 T140 S141 M142 | S134-L138 WeakPolarHBondContact O-CB 3.43Å; S134-L138 VanDerWaalsContact O-CG 3.31Å; S134-L138 WeakPolarHBondContact O-CG 3.48Å; S134-L138 PolarHBondContact O-N 3.49Å; I135-L138 PolarHBondContact O-N 3.32Å; A136-L138 PolarHBondContact O-N 2.9Å; L138-T140 PolarHBondContact O-N 2.94Å; L138-S141 PolarHBondContact O-N 3.09Å; L138-M142 WeakPolarHBondContact O-CB 3.28Å; L138-M142 WeakPolarHBondContact O-CG 3.4Å; L138-M142 PolarHBondContact O-N 2.85Å |
| 139 | K | 93.8 | Very high | 90.2 | Very high | 142 Ų | 142 | 98.4 Ų | 98.4 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 176.3 | -76.7 | 174.2 | 178.9 | 176 | 0 | 112 | I135 A136 M142 K143 | I135-K139 HydrophobicContact CG2-CD 4.03Å; I135-K139 HydrophobicContact CG2-CG 4.41Å; I135-K139 WeakPolarHBondContact O-CB 3.31Å; I135-K139 VanDerWaalsContact O-CG 3.31Å; I135-K139 WeakPolarHBondContact O-CG 3.42Å; I135-K139 PolarHBondContact O-N 3.35Å; A136-K139 PolarHBondContact O-N 2.87Å; K139-M142 PolarHBondContact O-N 3.02Å; K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 3.25Å |
| 140 | T | 93.6 | Very high | 89.6 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | A136 R137 L138 K143 F144 | A136-T140 PolarHBondContact O-N 3.4Å; A136-T140 PolarHBondContact O-OG1 3.38Å; A136-T140 VanDerWaalsContact O-OG1 3.11Å; R137-T140 PolarHBondContact O-N 3.5Å; L138-T140 PolarHBondContact O-N 2.94Å; T140-K143 WeakPolarHBondContact O-CB 3.44Å; T140-K143 PolarHBondContact O-N 3.33Å; T140-F144 PolarHBondContact O-N 2.91Å |
| 141 | S | 93.1 | Very high | 89.2 | Confident | 59 Ų | 59 | 93.1 Ų | 93.1 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.9 | -54 | 0 | 0 | 0 | 0 | 111.3 | R137 L138 K143 F144 V145 | R137-S141 WeakPolarHBondContact O-CB 3.31Å; R137-S141 PolarHBondContact O-N 2.98Å; R137-S141 PolarHBondContact O-OG 3.46Å; L138-S141 PolarHBondContact O-N 3.09Å; S141-K143 VanDerWaalsContact C-N 3.33Å; S141-K143 PolarHBondContact O-N 3.15Å; S141-F144 WeakPolarHBondContact O-CB 3.33Å; S141-F144 PolarHBondContact O-N 3.24Å; S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 2.91Å |
| 142 | M | 90.1 | Very high | 88.9 | Confident | 114 Ų | 114 | 90.8 Ų | 90.8 | 56% | 0.562 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 174.3 | -77.3 | -174.1 | 69.4 | 0 | 0 | 112.3 | L138 K139 F144 V145 K146 | L138-M142 WeakPolarHBondContact O-CB 3.28Å; L138-M142 WeakPolarHBondContact O-CG 3.4Å; L138-M142 PolarHBondContact O-N 2.85Å; K139-M142 PolarHBondContact O-N 3.02Å; M142-F144 VanDerWaalsContact C-N 3.31Å; M142-F144 PolarHBondContact O-N 3.44Å; M142-V145 PolarHBondContact O-N 2.97Å; M142-K146 WeakPolarHBondContact O-CB 3.47Å; M142-K146 WeakPolarHBondContact O-CG 3.47Å; M142-K146 PolarHBondContact O-N 3.26Å |
| 143 | K | 87.6 | Confident | 88.7 | Confident | 140 Ų | 140 | 89.8 Ų | 89.8 | 61% | 0.609 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 176.4 | -173.9 | 179.1 | -179.9 | -179 | 0 | 111.5 | K139 T140 S141 N147 | K139-K143 WeakPolarHBondContact O-CB 3.46Å; K139-K143 PolarHBondContact O-N 3.25Å; T140-K143 WeakPolarHBondContact O-CB 3.44Å; T140-K143 PolarHBondContact O-N 3.33Å; S141-K143 VanDerWaalsContact C-N 3.33Å; S141-K143 PolarHBondContact O-N 3.15Å; K143-N147 WeakPolarHBondContact O-CB 3.47Å; K143-N147 VanDerWaalsContact O-CG 3.31Å; K143-N147 PolarHBondContact O-N 2.96Å |
| 144 | F | 88.6 | Confident | 88.3 | Confident | 113 Ų | 113 | 87.8 Ų | 87.8 | 50% | 0.496 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 174.6 | 177.5 | -95.8 | 0 | 0 | 0 | 111.6 | T140 S141 M142 K146 N147 V148 I149 | T140-F144 PolarHBondContact O-N 2.91Å; S141-F144 WeakPolarHBondContact O-CB 3.33Å; S141-F144 PolarHBondContact O-N 3.24Å; M142-F144 VanDerWaalsContact C-N 3.31Å; M142-F144 PolarHBondContact O-N 3.44Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-K146 PolarHBondContact O-N 3.01Å; F144-N147 PolarHBondContact O-N 3.47Å; F144-V148 HydrophobicContact CD2-CB 4.07Å; F144-V148 HydrophobicContact CD2-CG2 3.67Å; F144-V148 HydrophobicContact CE2-CB 3.86Å; F144-V148 HydrophobicContact CE2-CG1 3.86Å; F144-V148 HydrophobicContact CE2-CG2 3.74Å; F144-V148 HydrophobicContact CG-CG2 4.41Å; F144-V148 HydrophobicContact CZ-CB 4.14Å; F144-V148 HydrophobicContact CZ-CG1 3.95Å; F144-V148 WeakPolarHBondContact O-CB 3.44Å; F144-V148 PolarHBondContact O-N 2.78Å; F144-I149 HydrophobicContact CD1-CD1 4.28Å; F144-I149 HydrophobicContact CD1-CG1 4.43Å; F144-I149 HydrophobicContact CE1-CD1 3.94Å; F144-I149 HydrophobicContact CE1-CG1 4.02Å |
| 145 | V | 85.9 | Confident | 88 | Confident | 72 Ų | 72 | 87 Ų | 87 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | I | π-helix | trans | -59.2 | -45.7 | 179.2 | 175 | 0 | 0 | 0 | 0 | 111.2 | S141 M142 I149 A150 | S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 2.91Å; M142-V145 PolarHBondContact O-N 2.97Å; V145-I149 HydrophobicContact CB-CD1 4.49Å; V145-I149 HydrophobicContact CG2-CD1 4.13Å; V145-I149 WeakPolarHBondContact O-CB 3.33Å; V145-I149 PolarHBondContact O-N 3.23Å; V145-A150 PolarHBondContact O-N 3.04Å |
| 146 | K | 81.9 | Confident | 87.5 | Confident | 71 Ų | 71 | 92.3 Ų | 92.3 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | I | π-helix | trans | -61.4 | -47.9 | 179.4 | -76.8 | -177.4 | 167.4 | -155.9 | 0 | 112.8 | M142 F144 G151 I152 E154 | M142-K146 WeakPolarHBondContact O-CB 3.47Å; M142-K146 WeakPolarHBondContact O-CG 3.47Å; M142-K146 PolarHBondContact O-N 3.26Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-K146 PolarHBondContact O-N 3.01Å; K146-G151 PolarHBondContact O-N 3.25Å; K146-G151 VanDerWaalsContact O-N 3.11Å; K146-I152 PolarHBondContact O-N 3.43Å; K146-E154 IonicContact NZ-OE1 3.54Å; K146-E154 PolarHBondContact NZ-OE1 2.95Å |
| 147 | N | 79.9 | Confident | 87.3 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | I | π-helix | trans | -86.8 | -40.8 | -169.5 | -66 | -0.9 | 0 | 0 | 0 | 113 | K143 F144 | K143-N147 WeakPolarHBondContact O-CB 3.47Å; K143-N147 VanDerWaalsContact O-CG 3.31Å; K143-N147 PolarHBondContact O-N 2.96Å; F144-N147 PolarHBondContact O-N 3.47Å |
| 148 | V | 79.3 | Confident | 87.3 | Confident | 99 Ų | 99 | 88 Ų | 88 | 60% | 0.6 | 45% | 0.448 | S | S | * | . | I | π-helix | trans | -94.6 | -43 | -171 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | F144 | F144-V148 HydrophobicContact CD2-CB 4.07Å; F144-V148 HydrophobicContact CD2-CG2 3.67Å; F144-V148 HydrophobicContact CE2-CB 3.86Å; F144-V148 HydrophobicContact CE2-CG1 3.86Å; F144-V148 HydrophobicContact CE2-CG2 3.74Å; F144-V148 HydrophobicContact CG-CG2 4.41Å; F144-V148 HydrophobicContact CZ-CB 4.14Å; F144-V148 HydrophobicContact CZ-CG1 3.95Å; F144-V148 WeakPolarHBondContact O-CB 3.44Å; F144-V148 PolarHBondContact O-N 2.78Å |
| 149 | I | 78.5 | Confident | 87.2 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 61% | 0.61 | 43% | 0.433 | S | S | * | . | I | π-helix | trans | -87.7 | -54.2 | -175.6 | -53.2 | -178.1 | 0 | 0 | 0 | 110.5 | F144 V145 | F144-I149 HydrophobicContact CD1-CD1 4.28Å; F144-I149 HydrophobicContact CD1-CG1 4.43Å; F144-I149 HydrophobicContact CE1-CD1 3.94Å; F144-I149 HydrophobicContact CE1-CG1 4.02Å; V145-I149 HydrophobicContact CB-CD1 4.49Å; V145-I149 HydrophobicContact CG2-CD1 4.13Å; V145-I149 WeakPolarHBondContact O-CB 3.33Å; V145-I149 PolarHBondContact O-N 3.23Å |
| 150 | A | 77.7 | Confident | 87.3 | Confident | 28 Ų | 28 | 79 Ų | 79 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -88.7 | -14.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | V145 I152 Y161 Y198 | V145-A150 PolarHBondContact O-N 3.04Å; A150-I152 HydrophobicContact CB-CD1 3.75Å; A150-I152 HydrophobicContact CB-CG1 3.72Å; A150-I152 PolarHBondContact O-N 3.36Å; A150-Y161 HydrophobicContact CB-CE2 4.44Å; A150-Y198 PolarHBondContact O-OH 3.45Å |
| 151 | G | 82.4 | Confident | 87.3 | Confident | 17 Ų | 17 | 78 Ų | 78 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | trans | 62.6 | 9.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K146 R153 Y198 | K146-G151 PolarHBondContact O-N 3.25Å; K146-G151 VanDerWaalsContact O-N 3.11Å; G151-R153 PolarHBondContact O-N 3.44Å; G151-R153 PolarHBondContact O-NH1 3.25Å; G151-Y198 VanDerWaalsContact C-OH 3.25Å; G151-Y198 WeakPolarHBondContact O-CE2 3.45Å; G151-Y198 PolarHBondContact O-OH 3.49Å | ||
| 152 | I | 88.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | trans | -54.6 | 134.1 | -169.3 | -63.5 | 166.8 | 0 | 0 | 0 | 110.8 | K146 A150 E154 F159 Y161 | K146-I152 PolarHBondContact O-N 3.43Å; A150-I152 HydrophobicContact CB-CD1 3.75Å; A150-I152 HydrophobicContact CB-CG1 3.72Å; A150-I152 PolarHBondContact O-N 3.36Å; I152-E154 HydrophobicContact CG2-CG 3.97Å; I152-F159 HydrophobicContact CG2-CB 4.04Å; I152-F159 HydrophobicContact CG2-CD2 4.06Å; I152-F159 HydrophobicContact CG2-CG 4.45Å; I152-Y161 HydrophobicContact CG1-CD2 3.94Å | ||
| 153 | R | 89.2 | Confident | 87.7 | Confident | 76 Ų | 76 | 70 Ų | 70 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.5 | 171.8 | -66.9 | -65.1 | -177.7 | -93.5 | -0.2 | 109.7 | G151 F159 Y160 L194 Y198 | G151-R153 PolarHBondContact O-N 3.44Å; G151-R153 PolarHBondContact O-NH1 3.25Å; R153-F159 CarbonylContact O-C 3.39Å; R153-F159 VanDerWaalsContact O-CA 3.23Å; R153-F159 WeakPolarHBondContact O-CA 3.46Å; R153-Y160 PolarHBondContact N-O 3Å; R153-Y160 PolarHBondContact O-N 3.45Å; R153-L194 HydrophobicContact CB-CD2 3.99Å; R153-Y198 HydrophobicContact CB-CD1 4.06Å; R153-Y198 HydrophobicContact CB-CE1 4.36Å; R153-Y198 HydrophobicContact CB-CG 4.34Å; R153-Y198 HydrophobicContact CG-CD1 3.58Å; R153-Y198 HydrophobicContact CG-CD2 3.65Å; R153-Y198 HydrophobicContact CG-CE1 4Å; R153-Y198 HydrophobicContact CG-CE2 4.11Å; R153-Y198 HydrophobicContact CG-CG 3.39Å |
| 154 | E | 88.1 | Confident | 88 | Confident | 79 Ų | 79 | 69.9 Ų | 69.9 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.8 | -176.2 | -60.4 | -164.6 | -171.9 | 0 | 0 | 110.5 | K146 I152 F159 K274 | K146-E154 IonicContact NZ-OE1 3.54Å; K146-E154 PolarHBondContact NZ-OE1 2.95Å; I152-E154 HydrophobicContact CG2-CG 3.97Å; E154-F159 HydrophobicContact CB-CB 4.38Å; E154-F159 HydrophobicContact CG-CB 3.83Å; E154-K274 WeakPolarHBondContact OE2-CE 3.41Å; E154-K274 IonicContact OE2-NZ 3.44Å; E154-K274 PolarHBondContact OE2-NZ 3.44Å |
| 155 | T | 89 | Confident | 88.4 | Confident | 45 Ų | 45 | 69 Ų | 69 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | trans | -105.1 | -176.1 | 163.4 | 67.8 | 0 | 0 | 0 | 0 | 109.3 | E157 K158 Y160 L194 K274 | T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 3.17Å; T155-E157 PolarHBondContact OG1-N 3.46Å; T155-K158 PolarHBondContact N-O 3.11Å; T155-K158 PolarHBondContact OG1-N 2.98Å; T155-K158 PolarHBondContact OG1-O 2.94Å; T155-Y160 HydrophobicContact CG2-CE2 4.01Å; T155-L194 HydrophobicContact CG2-CD1 3.55Å; T155-K274 VanDerWaalsContact O-CE 3.29Å; T155-K274 WeakPolarHBondContact O-CE 3.4Å; T155-K274 PolarHBondContact O-NZ 3.06Å | ||
| 156 | E | 86.3 | Confident | 88.9 | Confident | 189 Ų | 189 | 70.9 Ų | 70.9 | 88% | 0.883 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.2 | -35.9 | 174.3 | -63.2 | -171 | 170.1 | 0 | 0 | 112.1 | K274 | E156-K274 WeakPolarHBondContact O-CD 3.3Š|
| 157 | E | 90.5 | Very high | 89.7 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 52% | 0.523 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -106.6 | -20.8 | -172.3 | -57.2 | -161.9 | 140.8 | 0 | 0 | 114.1 | T155 K274 K276 | T155-E157 VanDerWaalsContact C-N 3.26Å; T155-E157 PolarHBondContact O-N 3.17Å; T155-E157 PolarHBondContact OG1-N 3.46Å; E157-K274 WeakPolarHBondContact O-CB 3.33Å; E157-K274 PolarHBondContact O-N 2.84Å; E157-K276 IonicContact OE1-NZ 3.06Å |
| 158 | K | 93.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 19% | 0.191 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 163.8 | -170.1 | -61.8 | 173.7 | 176.5 | -167.3 | 0 | 112.3 | T155 Y160 E271 F272 K274 | T155-K158 PolarHBondContact N-O 3.11Å; T155-K158 PolarHBondContact OG1-N 2.98Å; T155-K158 PolarHBondContact OG1-O 2.94Å; K158-Y160 HydrophobicContact CB-CE2 4.44Å; K158-E271 HydrophobicContact CB-CG 4.49Å; K158-E271 HydrophobicContact CD-CG 4.08Å; K158-E271 VanDerWaalsContact CD-OE1 3.23Å; K158-E271 WeakPolarHBondContact CD-OE1 3.31Å; K158-E271 WeakPolarHBondContact CE-OE1 3.39Å; K158-E271 IonicContact NZ-OE1 3.83Å; K158-E271 PolarHBondContact NZ-OE1 3.11Å; K158-E271 IonicContact NZ-OE2 2.84Å; K158-F272 CarbonylContact C-O 3.53Å; K158-F272 WeakPolarHBondContact CA-O 3.14Å; K158-K274 WeakPolarHBondContact O-CE 3.48Å |
| 159 | F | 93.6 | Very high | 91.4 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 27% | 0.268 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.3 | 162.8 | 66.2 | -89.5 | 0 | 0 | 0 | 111.3 | I152 R153 E154 F272 K274 | I152-F159 HydrophobicContact CG2-CB 4.04Å; I152-F159 HydrophobicContact CG2-CD2 4.06Å; I152-F159 HydrophobicContact CG2-CG 4.45Å; R153-F159 CarbonylContact O-C 3.39Å; R153-F159 VanDerWaalsContact O-CA 3.23Å; R153-F159 WeakPolarHBondContact O-CA 3.46Å; E154-F159 HydrophobicContact CB-CB 4.38Å; E154-F159 HydrophobicContact CG-CB 3.83Å; F159-F272 HydrophobicContact CD1-CB 3.72Å; F159-F272 HydrophobicContact CD2-CB 3.92Å; F159-F272 AromaticContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CG 4.07Å; F159-F272 HydrophobicContact CE1-CB 3.26Å; F159-F272 HydrophobicContact CE1-CG 4.03Å; F159-F272 HydrophobicContact CE2-CB 3.49Å; F159-F272 VanDerWaalsContact CE2-CB 3.49Å; F159-F272 HydrophobicContact CE2-CD1 4.22Å; F159-F272 AromaticContact CE2-CD2 3.17Å; F159-F272 HydrophobicContact CE2-CD2 3.17Å; F159-F272 AromaticContact CE2-CE2 3.9Å; F159-F272 HydrophobicContact CE2-CE2 3.9Å; F159-F272 AromaticContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CG-CB 4.04Å; F159-F272 HydrophobicContact CZ-CB 3.14Å; F159-F272 AromaticContact CZ-CD1 3.98Å; F159-F272 HydrophobicContact CZ-CD1 3.98Å; F159-F272 AromaticContact CZ-CD2 3.72Å; F159-F272 HydrophobicContact CZ-CD2 3.72Å; F159-F272 AromaticContact CZ-CG 3.35Å; F159-F272 HydrophobicContact CZ-CG 3.35Å; F159-F272 PolarHBondContact N-O 3.11Å; F159-F272 PolarHBondContact O-N 3.07Å; F159-K274 HydrophobicContact CD1-CG 4.21Å |
| 160 | Y | 95.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.3 | -175.9 | -57.2 | -82.5 | 0 | 0 | 0 | 110.1 | R153 T155 K158 A184 L194 I195 C270 E271 | R153-Y160 PolarHBondContact N-O 3Å; R153-Y160 PolarHBondContact O-N 3.45Å; T155-Y160 HydrophobicContact CG2-CE2 4.01Å; K158-Y160 HydrophobicContact CB-CE2 4.44Å; Y160-A184 HydrophobicContact CD1-CB 4.06Å; Y160-A184 HydrophobicContact CE1-CB 4.25Å; Y160-L194 HydrophobicContact CD2-CD2 3.47Å; Y160-L194 VanDerWaalsContact CD2-CD2 3.47Å; Y160-L194 HydrophobicContact CE2-CD2 3.71Å; Y160-L194 HydrophobicContact CG-CD2 4.33Å; Y160-I195 HydrophobicContact CD1-CD1 4.13Å; Y160-I195 HydrophobicContact CD1-CG1 3.99Å; Y160-I195 HydrophobicContact CE1-CD1 3.76Å; Y160-I195 HydrophobicContact CE1-CG1 4Å; Y160-I195 HydrophobicContact CG-CG1 4.31Å; Y160-C270 VanDerWaalsContact CA-O 3.31Å; Y160-C270 WeakPolarHBondContact CA-O 3.27Å; Y160-E271 HydrophobicContact CD1-CB 3.88Å; Y160-E271 HydrophobicContact CD1-CG 4.14Å; Y160-E271 HydrophobicContact CE1-CB 3.82Å; Y160-E271 HydrophobicContact CE1-CG 3.68Å; Y160-E271 WeakPolarHBondContact CE1-OE2 3.33Å |
| 161 | Y | 94.9 | Very high | 93.3 | Very high | 79 Ų | 79 | 69.9 Ų | 69.9 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 122.4 | -179.5 | 175.9 | -113.6 | 0 | 0 | 0 | 109.8 | A150 I152 V163 C270 | A150-Y161 HydrophobicContact CB-CE2 4.44Å; I152-Y161 HydrophobicContact CG1-CD2 3.94Å; Y161-V163 HydrophobicContact CD1-CG2 3.86Å; Y161-V163 HydrophobicContact CE1-CG2 3.84Å; Y161-C270 PolarHBondContact N-O 2.77Å; Y161-C270 PolarHBondContact O-N 3.31Å |
| 162 | I | 95.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122.7 | 173.1 | -64.4 | 164 | 0 | 0 | 0 | 107.5 | Y198 V199 F204 V269 | I162-Y198 HydrophobicContact CB-CE1 4.3Å; I162-Y198 HydrophobicContact CD1-CD1 3.7Å; I162-Y198 HydrophobicContact CD1-CD2 3.72Å; I162-Y198 HydrophobicContact CD1-CE1 3.69Å; I162-Y198 HydrophobicContact CD1-CE2 3.65Å; I162-Y198 HydrophobicContact CD1-CG 3.72Å; I162-Y198 HydrophobicContact CG1-CD1 3.83Å; I162-Y198 HydrophobicContact CG1-CE1 3.52Å; I162-Y198 HydrophobicContact CG1-CE2 4.31Å; I162-Y198 HydrophobicContact CG1-CG 4.37Å; I162-Y198 PolarHBondContact N-OH 2.71Å; I162-V199 HydrophobicContact CD1-CG2 4.34Å; I162-F204 HydrophobicContact CB-CE2 4.48Å; I162-F204 HydrophobicContact CD1-CD2 4.06Å; I162-F204 HydrophobicContact CD1-CE2 4.28Å; I162-F204 HydrophobicContact CG2-CD2 3.92Å; I162-F204 HydrophobicContact CG2-CE2 3.62Å; I162-F204 HydrophobicContact CG2-CZ 4.26Å; I162-V269 HydrophobicContact CG1-CG1 4.46Å; I162-V269 HydrophobicContact CG1-CG2 4.05Å |
| 163 | V | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 115.1 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | Y161 E165 H175 Y267 F268 | Y161-V163 HydrophobicContact CD1-CG2 3.86Å; Y161-V163 HydrophobicContact CE1-CG2 3.84Å; V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.25Å; V163-E165 PolarHBondContact O-N 3.44Å; V163-H175 VanDerWaalsContact CG1-CE1 3.47Å; V163-H175 WeakPolarHBondContact CG1-CE1 3.4Å; V163-Y267 WeakPolarHBondContact O-CD1 3.46Å; V163-F268 HydrophobicContact CB-CD1 4.23Å; V163-F268 HydrophobicContact CB-CD2 4.05Å; V163-F268 HydrophobicContact CB-CE1 3.83Å; V163-F268 HydrophobicContact CB-CE2 3.66Å; V163-F268 HydrophobicContact CB-CG 4.33Å; V163-F268 HydrophobicContact CB-CZ 3.54Å; V163-F268 HydrophobicContact CG1-CE1 3.77Å; V163-F268 HydrophobicContact CG1-CE2 4.08Å; V163-F268 HydrophobicContact CG1-CZ 3.47Å; V163-F268 VanDerWaalsContact CG1-CZ 3.47Å; V163-F268 HydrophobicContact CG2-CD2 4Å; V163-F268 HydrophobicContact CG2-CE2 3.49Å; V163-F268 VanDerWaalsContact CG2-CE2 3.49Å; V163-F268 HydrophobicContact CG2-CZ 3.82Å; V163-F268 PolarHBondContact N-O 2.71Å |
| 164 | Q | 94.2 | Very high | 94.9 | Very high | 136 Ų | 136 | 68.2 Ų | 68.2 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 45 | 179.7 | -54.4 | -171.4 | -0.8 | 0 | 0 | 111.6 | F204 Y267 | Q164-F204 HydrophobicContact CG-CE2 4.38Å; Q164-F204 HydrophobicContact CG-CZ 3.73Å; Q164-Y267 VanDerWaalsContact C-CD1 3.49Å; Q164-Y267 HydrophobicContact CB-CE1 4.41Å |
| 165 | E | 95.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.8 | 172.5 | -63.9 | 177 | -152.3 | 0 | 0 | 108.1 | V163 K167 F268 | V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.25Å; V163-E165 PolarHBondContact O-N 3.44Å; E165-K167 PolarHBondContact O-N 3.19Å; E165-K167 WeakPolarHBondContact OE2-CE 3.42Å; E165-K167 IonicContact OE2-NZ 2.71Å; E165-K167 PolarHBondContact OE2-NZ 3.43Å; E165-F268 WeakPolarHBondContact O-CE1 3.41Å |
| 166 | E | 97.1 | Very high | 95.8 | Very high | 113 Ų | 113 | 63.1 Ų | 63.1 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.2 | 176.7 | -64.7 | -177.9 | -169.3 | 0 | 0 | 110.2 | M266 Y267 | E166-M266 WeakPolarHBondContact CA-O 3.47Å; E166-Y267 HydrophobicContact CG-CD1 4.11Å; E166-Y267 HydrophobicContact CG-CE1 3.73Å; E166-Y267 HydrophobicContact CG-CE2 4.42Å |
| 167 | K | 98.3 | Very high | 96.3 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 18% | 0.183 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 155.4 | 179.6 | -65.4 | -168.3 | -163.2 | -55 | 0 | 109.9 | E165 E171 H175 F208 T265 M266 F268 | E165-K167 PolarHBondContact O-N 3.19Å; E165-K167 WeakPolarHBondContact OE2-CE 3.42Å; E165-K167 IonicContact OE2-NZ 2.71Å; E165-K167 PolarHBondContact OE2-NZ 3.43Å; K167-E171 HydrophobicContact CB-CB 3.87Å; K167-E171 HydrophobicContact CD-CB 4.06Å; K167-E171 HydrophobicContact CG-CB 4.37Å; K167-H175 HydrophobicContact CD-CB 4.47Å; K167-F208 WeakPolarHBondContact O-CE2 3.47Å; K167-T265 WeakPolarHBondContact O-CA 3.29Å; K167-M266 PolarHBondContact N-O 2.79Å; K167-M266 VanDerWaalsContact N-O 3.12Å; K167-M266 PolarHBondContact O-N 3.43Å; K167-M266 VanDerWaalsContact O-N 3.17Å; K167-F268 HydrophobicContact CB-CD1 4.42Å; K167-F268 HydrophobicContact CB-CE1 3.93Å; K167-F268 HydrophobicContact CD-CE1 3.87Å; K167-F268 HydrophobicContact CD-CZ 4.05Å; K167-F268 HydrophobicContact CG-CE1 3.95Å |
| 168 | N | 98.3 | Very high | 96.6 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | trans | -71.7 | 170.3 | 169.9 | 65.1 | 51.7 | 0 | 0 | 0 | 110.9 | R170 E171 S172 L264 T265 | N168-R170 VanDerWaalsContact C-N 3.33Å; N168-R170 PolarHBondContact O-N 3.32Å; N168-R170 PolarHBondContact OD1-N 3.31Å; N168-E171 PolarHBondContact N-OE2 3.04Å; N168-E171 VanDerWaalsContact ND2-CD 3.3Å; N168-E171 PolarHBondContact ND2-OE2 2.91Å; N168-E171 PolarHBondContact O-N 2.92Å; N168-E171 WeakPolarHBondContact OD1-CB 3.16Å; N168-E171 WeakPolarHBondContact OD1-CG 3.43Å; N168-E171 PolarHBondContact OD1-N 3.25Å; N168-S172 WeakPolarHBondContact O-CB 3.25Å; N168-S172 PolarHBondContact O-N 2.75Å; N168-S172 PolarHBondContact O-OG 2.91Å; N168-L264 WeakPolarHBondContact CA-O 3.41Å; N168-T265 HydrophobicContact CB-CG2 4.42Å | ||
| 169 | Y | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | -174.1 | -168 | -99.2 | 0 | 0 | 0 | 112.8 | E171 S172 L173 L183 F208 I209 V211 N212 L214 C248 C262 | Y169-E171 PolarHBondContact O-N 2.83Å; Y169-S172 WeakPolarHBondContact O-CB 3.2Å; Y169-S172 PolarHBondContact O-N 3.27Å; Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CG 4.06Å; Y169-L173 HydrophobicContact CE1-CD1 3.55Å; Y169-L173 HydrophobicContact CE1-CD2 4.23Å; Y169-L173 HydrophobicContact CE1-CG 3.89Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 3.48Å; Y169-L183 HydrophobicContact CD2-CD1 4.22Å; Y169-L183 HydrophobicContact CE1-CD1 4.42Å; Y169-L183 HydrophobicContact CE2-CD1 3.76Å; Y169-F208 HydrophobicContact CD2-CB 4.32Å; Y169-F208 AromaticContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD2 4.43Å; Y169-F208 AromaticContact CD2-CE1 3.95Å; Y169-F208 HydrophobicContact CD2-CE1 3.95Å; Y169-F208 AromaticContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CZ 4.45Å; Y169-F208 HydrophobicContact CE2-CD1 4.28Å; Y169-I209 VanDerWaalsContact CE2-O 3.29Å; Y169-I209 WeakPolarHBondContact CE2-O 3.32Å; Y169-I209 PolarHBondContact OH-O 3.24Å; Y169-V211 PolarHBondContact OH-N 3.33Å; Y169-V211 PolarHBondContact OH-O 2.76Å; Y169-N212 HydrophobicContact CE1-CB 4.05Å; Y169-N212 PolarHBondContact OH-ND2 3.02Å; Y169-L214 HydrophobicContact CD1-CD1 4.35Å; Y169-L214 HydrophobicContact CE1-CD1 4.21Å; Y169-C248 WeakPolarHBondContact CB-SG 3.44Å; Y169-C248 HydrophobicContact CD1-CB 4.49Å; Y169-C248 WeakPolarHBondContact CD1-SG 3.24Å; Y169-C248 HydrophobicContact CD2-CB 3.75Å; Y169-C248 VanDerWaalsContact CD2-SG 3.59Å; Y169-C248 HydrophobicContact CE2-CB 4.08Å; Y169-C248 HydrophobicContact CG-CB 3.97Å; Y169-C262 WeakPolarHBondContact CB-O 3.03Å; Y169-C262 PolarHBondContact N-O 2.79Å; Y169-C262 VanDerWaalsContact N-O 3.09Å |
| 170 | R | 97.5 | Very high | 96.7 | Very high | 201 Ų | 201 | 65.3 Ų | 65.3 | 76% | 0.758 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | -179.1 | -177.2 | 175.7 | -178.9 | 141.1 | 0.9 | 112.6 | N168 T174 | N168-R170 VanDerWaalsContact C-N 3.33Å; N168-R170 PolarHBondContact O-N 3.32Å; N168-R170 PolarHBondContact OD1-N 3.31Å; R170-T174 PolarHBondContact O-N 3.37Å; R170-T174 VanDerWaalsContact O-N 3.17Å; R170-T174 PolarHBondContact O-OG1 2.9Å |
| 171 | E | 98.3 | Very high | 96.8 | Very high | 96 Ų | 96 | 65.5 Ų | 65.5 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 175 | -74.4 | 176.5 | 162.7 | 0 | 0 | 111.4 | K167 N168 Y169 T174 H175 | K167-E171 HydrophobicContact CB-CB 3.87Å; K167-E171 HydrophobicContact CD-CB 4.06Å; K167-E171 HydrophobicContact CG-CB 4.37Å; N168-E171 PolarHBondContact N-OE2 3.04Å; N168-E171 VanDerWaalsContact ND2-CD 3.3Å; N168-E171 PolarHBondContact ND2-OE2 2.91Å; N168-E171 PolarHBondContact O-N 2.92Å; N168-E171 WeakPolarHBondContact OD1-CB 3.16Å; N168-E171 WeakPolarHBondContact OD1-CG 3.43Å; N168-E171 PolarHBondContact OD1-N 3.25Å; Y169-E171 PolarHBondContact O-N 2.83Å; E171-T174 PolarHBondContact O-N 3.27Å; E171-H175 VanDerWaalsContact O-CB 3.28Å; E171-H175 WeakPolarHBondContact O-CB 3.49Å; E171-H175 PolarHBondContact O-N 3.5Å |
| 172 | S | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | N168 Y169 T174 H175 C176 F268 | N168-S172 WeakPolarHBondContact O-CB 3.25Å; N168-S172 PolarHBondContact O-N 2.75Å; N168-S172 PolarHBondContact O-OG 2.91Å; Y169-S172 WeakPolarHBondContact O-CB 3.2Å; Y169-S172 PolarHBondContact O-N 3.27Å; S172-T174 PolarHBondContact O-N 3.11Å; S172-H175 WeakPolarHBondContact O-CB 3.33Å; S172-H175 PolarHBondContact O-N 3.4Å; S172-C176 PolarHBondContact O-N 2.86Å; S172-C176 VanDerWaalsContact O-N 3.11Å; S172-F268 VanDerWaalsContact OG-CD1 3.25Å; S172-F268 WeakPolarHBondContact OG-CD1 3.33Å |
| 173 | L | 97.3 | Very high | 97 | Very high | 20 Ų | 20 | 64 Ų | 64 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.3 | -51 | 171.9 | -77.6 | 172.4 | 0 | 0 | 0 | 112 | Y169 H175 C176 R177 L183 T223 | Y169-L173 HydrophobicContact CD1-CD1 3.67Å; Y169-L173 HydrophobicContact CD1-CG 4.06Å; Y169-L173 HydrophobicContact CE1-CD1 3.55Å; Y169-L173 HydrophobicContact CE1-CD2 4.23Å; Y169-L173 HydrophobicContact CE1-CG 3.89Å; Y169-L173 WeakPolarHBondContact O-CG 3.43Å; Y169-L173 PolarHBondContact O-N 3.48Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.33Å; L173-C176 PolarHBondContact O-N 3.05Å; L173-R177 WeakPolarHBondContact O-CB 3.42Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 2.91Å; L173-L183 HydrophobicContact CD2-CB 4.45Å; L173-L183 HydrophobicContact CD2-CD1 3.55Å; L173-L183 HydrophobicContact CD2-CG 4.02Å; L173-L183 HydrophobicContact CG-CD1 3.78Å; L173-L183 HydrophobicContact CG-CG 4.49Å; L173-T223 HydrophobicContact CD2-CG2 3.38Å |
| 174 | T | 97.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 64 Ų | 64 | 44% | 0.436 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | -178.9 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | R170 E171 S172 C176 R177 I178 | R170-T174 PolarHBondContact O-N 3.37Å; R170-T174 VanDerWaalsContact O-N 3.17Å; R170-T174 PolarHBondContact O-OG1 2.9Å; E171-T174 PolarHBondContact O-N 3.27Å; S172-T174 PolarHBondContact O-N 3.11Å; T174-C176 PolarHBondContact O-N 3.02Å; T174-R177 PolarHBondContact O-N 2.04Å; T174-I178 HydrophobicContact CG2-CG2 4.16Å; T174-I178 WeakPolarHBondContact O-CG1 3.48Å; T174-I178 WeakPolarHBondContact O-CG2 3.48Å; T174-I178 PolarHBondContact O-N 2.93Å |
| 175 | H | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 57.9 Ų | 57.9 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | -179.1 | -174.3 | -83.6 | 0 | 0 | 0 | 113.2 | V163 K167 E171 S172 L173 I178 R179 F268 | V163-H175 VanDerWaalsContact CG1-CE1 3.47Å; V163-H175 WeakPolarHBondContact CG1-CE1 3.4Å; K167-H175 HydrophobicContact CD-CB 4.47Å; E171-H175 VanDerWaalsContact O-CB 3.28Å; E171-H175 WeakPolarHBondContact O-CB 3.49Å; E171-H175 PolarHBondContact O-N 3.5Å; S172-H175 WeakPolarHBondContact O-CB 3.33Å; S172-H175 PolarHBondContact O-N 3.4Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.33Å; H175-I178 WeakPolarHBondContact O-CG1 3.28Å; H175-R179 PolarHBondContact CD2-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH2 2.85Å; H175-R179 VanDerWaalsContact CG-NH1 3.28Å; H175-R179 PolarHBondContact ND1-NH1 2.75Å; H175-R179 PolarHBondContact NE2-NH1 2.79Å; H175-R179 PolarHBondContact NE2-NH2 3.02Å; H175-R179 PolarHBondContact O-NH1 3.38Å; H175-F268 HydrophobicContact CB-CE2 3.89Å; H175-F268 HydrophobicContact CB-CZ 3.7Å; H175-F268 AromaticContact CG-CE2 3.87Å; H175-F268 AromaticContact CG-CZ 3.53Å; H175-F268 AromaticContact ND1-CE2 3.49Å; H175-F268 WeakPolarHBondContact ND1-CE2 3.4Å; H175-F268 AromaticContact ND1-CZ 3.43Å; H175-F268 WeakPolarHBondContact ND1-CZ 3.47Å |
| 176 | C | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71 | -42.7 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | S172 L173 T174 I178 R179 G181 M182 C270 | S172-C176 PolarHBondContact O-N 2.86Å; S172-C176 VanDerWaalsContact O-N 3.11Å; L173-C176 PolarHBondContact O-N 3.05Å; T174-C176 PolarHBondContact O-N 3.02Å; C176-I178 PolarHBondContact O-N 3.35Å; C176-R179 PolarHBondContact O-N 2.91Å; C176-R179 VanDerWaalsContact O-N 3.16Å; C176-G181 CarbonylContact C-O 3.57Å; C176-G181 VanDerWaalsContact C-O 3.3Å; C176-G181 CarbonylContact O-C 3.42Å; C176-G181 WeakPolarHBondContact O-CA 3.11Å; C176-G181 PolarHBondContact O-N 3.46Å; C176-M182 VanDerWaalsContact CB-C 3.43Å; C176-M182 WeakPolarHBondContact CB-O 3.44Å; C176-C270 VanDerWaalsContact CA-SG 3.52Å; C176-C270 HydrophobicContact CB-CB 3.84Å; C176-C270 WeakPolarHBondContact CB-SG 3.08Å; C176-C270 WeakPolarHBondContact SG-CA 3.25Å; C176-C270 WeakPolarHBondContact SG-CB 3.31Å; C176-C270 CovalentContact SG-SG 2.04Å; C176-C270 PolarHBondContact SG-SG 2.91Å |
| 177 | R | 96.9 | Very high | 97.1 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 49% | 0.494 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60 | -45.9 | -178.8 | -78.8 | 179.1 | -178.7 | 155.9 | 0.8 | 113.5 | L173 T174 R179 G180 G181 | L173-R177 WeakPolarHBondContact O-CB 3.42Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 2.91Å; T174-R177 PolarHBondContact O-N 2.04Å; R177-R179 PolarHBondContact O-N 2.77Å; R177-R179 VanDerWaalsContact O-N 3.11Å; R177-G180 PolarHBondContact O-N 2.7Å; R177-G181 VanDerWaalsContact CA-O 3.25Å; R177-G181 WeakPolarHBondContact CA-O 3.09Å; R177-G181 PolarHBondContact N-O 2.86Å |
| 178 | I | 96.6 | Very high | 96.9 | Very high | 127 Ų | 127 | 53.4 Ų | 53.4 | 65% | 0.651 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.2 | -179.6 | 64.2 | 175.8 | 0 | 0 | 0 | 113.2 | T174 H175 C176 | T174-I178 HydrophobicContact CG2-CG2 4.16Å; T174-I178 WeakPolarHBondContact O-CG1 3.48Å; T174-I178 WeakPolarHBondContact O-CG2 3.48Å; T174-I178 PolarHBondContact O-N 2.93Å; H175-I178 WeakPolarHBondContact O-CG1 3.28Å; C176-I178 PolarHBondContact O-N 3.35Å |
| 179 | R | 95.3 | Very high | 96.7 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.9 | 175.5 | -69 | 175.3 | 176.3 | 76.4 | -6.8 | 113 | H175 C176 R177 F272 | H175-R179 PolarHBondContact CD2-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH1 2.9Å; H175-R179 PolarHBondContact CE1-NH2 2.85Å; H175-R179 VanDerWaalsContact CG-NH1 3.28Å; H175-R179 PolarHBondContact ND1-NH1 2.75Å; H175-R179 PolarHBondContact NE2-NH1 2.79Å; H175-R179 PolarHBondContact NE2-NH2 3.02Å; H175-R179 PolarHBondContact O-NH1 3.38Å; C176-R179 PolarHBondContact O-N 2.91Å; C176-R179 VanDerWaalsContact O-N 3.16Å; R177-R179 PolarHBondContact O-N 2.77Å; R177-R179 VanDerWaalsContact O-N 3.11Å; R179-F272 HydrophobicContact CB-CE1 3.79Å; R179-F272 HydrophobicContact CB-CZ 4.08Å; R179-F272 WeakPolarHBondContact O-CE1 3.31Å |
| 180 | G | 95.3 | Very high | 96.5 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 24.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R177 | R177-G180 PolarHBondContact O-N 2.7Š|
| 181 | G | 96.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | trans | -123.5 | -169.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C176 R177 E271 | C176-G181 CarbonylContact C-O 3.57Å; C176-G181 VanDerWaalsContact C-O 3.3Å; C176-G181 CarbonylContact O-C 3.42Å; C176-G181 WeakPolarHBondContact O-CA 3.11Å; C176-G181 PolarHBondContact O-N 3.46Å; R177-G181 VanDerWaalsContact CA-O 3.25Å; R177-G181 WeakPolarHBondContact CA-O 3.09Å; R177-G181 PolarHBondContact N-O 2.86Å; G181-E271 CarbonylContact C-O 3.49Å; G181-E271 WeakPolarHBondContact CA-O 3.35Å | ||
| 182 | M | 97.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 168.6 | 177.1 | -58.7 | -175.9 | 71.3 | 0 | 0 | 109.1 | C176 M185 T223 D224 C270 E271 | C176-M182 VanDerWaalsContact CB-C 3.43Å; C176-M182 WeakPolarHBondContact CB-O 3.44Å; M182-M185 HydrophobicContact CB-CE 4.27Å; M182-M185 HydrophobicContact SD-CE 4.08Å; M182-T223 WeakPolarHBondContact CE-O 3.46Å; M182-D224 HydrophobicContact CE-CB 3.78Å; M182-D224 HydrophobicContact SD-CB 4.19Å; M182-C270 CarbonylContact O-C 3.3Å; M182-C270 VanDerWaalsContact O-CA 3.28Å; M182-C270 WeakPolarHBondContact O-CA 3.29Å; M182-E271 PolarHBondContact N-O 2.67Å; M182-E271 PolarHBondContact O-N 3Å |
| 183 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 146.8 | 166.2 | -78.7 | 175.6 | 0 | 0 | 0 | 108.7 | Y169 L173 M185 G210 T223 F268 V269 | Y169-L183 HydrophobicContact CD2-CD1 4.22Å; Y169-L183 HydrophobicContact CE1-CD1 4.42Å; Y169-L183 HydrophobicContact CE2-CD1 3.76Å; L173-L183 HydrophobicContact CD2-CB 4.45Å; L173-L183 HydrophobicContact CD2-CD1 3.55Å; L173-L183 HydrophobicContact CD2-CG 4.02Å; L173-L183 HydrophobicContact CG-CD1 3.78Å; L173-L183 HydrophobicContact CG-CG 4.49Å; L183-M185 WeakPolarHBondContact O-CG 3.44Å; L183-M185 PolarHBondContact O-N 3.28Å; L183-G210 VanDerWaalsContact CB-CA 3.42Å; L183-T223 HydrophobicContact CB-CG2 4.26Å; L183-F268 HydrophobicContact CD2-CB 3.89Å; L183-F268 HydrophobicContact CD2-CD2 3.78Å; L183-F268 HydrophobicContact CD2-CG 4.23Å; L183-V269 CarbonylContact C-O 3.48Å; L183-V269 WeakPolarHBondContact CA-O 3.42Å |
| 184 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -63.1 | 130.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y160 P186 I195 G210 V269 E271 | Y160-A184 HydrophobicContact CD1-CB 4.06Å; Y160-A184 HydrophobicContact CE1-CB 4.25Å; A184-P186 WeakPolarHBondContact O-CD 3.23Å; A184-I195 HydrophobicContact CB-CD1 3.95Å; A184-G210 WeakPolarHBondContact O-CA 3.02Å; A184-G210 PolarHBondContact O-N 2.79Å; A184-V269 HydrophobicContact CB-CB 3.81Å; A184-V269 HydrophobicContact CB-CG1 3.8Å; A184-V269 PolarHBondContact N-O 3.49Å; A184-E271 HydrophobicContact CB-CB 4.17Å | ||
| 185 | M | 96.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | trans | -114.3 | 90.3 | -175.5 | -66.8 | 174.6 | -66.6 | 0 | 0 | 108.9 | M182 L183 K187 F222 T223 D224 E271 | M182-M185 HydrophobicContact CB-CE 4.27Å; M182-M185 HydrophobicContact SD-CE 4.08Å; L183-M185 WeakPolarHBondContact O-CG 3.44Å; L183-M185 PolarHBondContact O-N 3.28Å; M185-K187 VanDerWaalsContact C-N 3.31Å; M185-K187 HydrophobicContact CB-CG 4.32Å; M185-K187 PolarHBondContact O-N 2.81Å; M185-F222 HydrophobicContact CB-CB 4.49Å; M185-F222 HydrophobicContact CB-CD1 3.69Å; M185-F222 HydrophobicContact CB-CE1 4.28Å; M185-F222 HydrophobicContact CB-CG 4.32Å; M185-F222 HydrophobicContact CG-CB 4.03Å; M185-F222 HydrophobicContact CG-CD1 3.89Å; M185-F222 HydrophobicContact CG-CG 4.34Å; M185-F222 HydrophobicContact SD-CB 3.75Å; M185-T223 PolarHBondContact SD-OG1 3.25Å; M185-T223 VanDerWaalsContact SD-OG1 3.35Å; M185-D224 HydrophobicContact CE-CB 4.06Å; M185-D224 HydrophobicContact SD-CB 3.8Å; M185-D224 VanDerWaalsContact SD-CG 3.51Å; M185-E271 PolarHBondContact N-OE2 3.34Å | ||
| 186 | P | 95.8 | Very high | 96 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -70.4 | 85.3 | 176.3 | 29.2 | -35.5 | 0 | 0 | 0 | 110.7 | A184 D188 N192 I195 I209 Y231 M251 W257 | A184-P186 WeakPolarHBondContact O-CD 3.23Å; P186-D188 VanDerWaalsContact C-N 3.34Å; P186-N192 HydrophobicContact CB-CB 3.93Å; P186-I195 HydrophobicContact CB-CD1 4.13Å; P186-I209 HydrophobicContact CG-CD1 4.07Å; P186-Y231 WeakPolarHBondContact O-CD1 3.42Å; P186-M251 HydrophobicContact CB-CE 4.27Å; P186-M251 HydrophobicContact CG-CE 3.98Å; P186-W257 HydrophobicContact CB-CZ2 3.86Å; P186-W257 HydrophobicContact CG-CH2 3.97Å; P186-W257 HydrophobicContact CG-CZ2 3.32Å | ||
| 187 | K | 94.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | trans | -82.6 | -10.4 | -178.5 | -61.4 | -166.7 | -176.9 | -164.7 | 0 | 114.4 | M185 F222 D224 T226 Y231 | M185-K187 VanDerWaalsContact C-N 3.31Å; M185-K187 HydrophobicContact CB-CG 4.32Å; M185-K187 PolarHBondContact O-N 2.81Å; K187-F222 HydrophobicContact CB-CZ 4.49Å; K187-F222 HydrophobicContact CG-CD2 4.36Å; K187-F222 HydrophobicContact CG-CE1 4.18Å; K187-F222 HydrophobicContact CG-CE2 4.03Å; K187-F222 HydrophobicContact CG-CZ 3.93Å; K187-D224 IonicContact NZ-OD1 3.91Å; K187-D224 PolarHBondContact NZ-OD1 3.21Å; K187-D224 IonicContact NZ-OD2 3.82Å; K187-D224 PolarHBondContact NZ-OD2 3.43Å; K187-T226 WeakPolarHBondContact CE-OG1 3.34Å; K187-T226 PolarHBondContact NZ-OG1 3.13Å; K187-Y231 WeakPolarHBondContact O-CB 3.04Å | ||
| 188 | D | 93.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -147.2 | 166.2 | 179.3 | 59.7 | 50.4 | 0 | 0 | 0 | 110.9 | P186 A190 A191 N192 | P186-D188 VanDerWaalsContact C-N 3.34Å; D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 PolarHBondContact O-N 2.94Å; D188-A190 PolarHBondContact OD1-N 3.42Å; D188-A191 PolarHBondContact O-N 3.45Å; D188-A191 VanDerWaalsContact OD1-CB 3.22Å; D188-A191 WeakPolarHBondContact OD1-CB 3.23Å; D188-A191 PolarHBondContact OD1-N 2.71Å; D188-N192 WeakPolarHBondContact O-CB 3.22Å; D188-N192 PolarHBondContact O-N 3.09Å |
| 189 | E | 94.6 | Very high | 95.8 | Very high | 138 Ų | 138 | 40.5 Ų | 40.5 | 65% | 0.645 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.1 | -34.4 | -178.5 | -172.9 | -179.6 | -176.2 | 0 | 0 | 112.8 | T193 Y231 | E189-T193 VanDerWaalsContact O-CB 3.31Å; E189-T193 WeakPolarHBondContact O-CB 3.09Å; E189-T193 PolarHBondContact O-N 3.22Å; E189-T193 PolarHBondContact O-OG1 2.64Å; E189-Y231 HydrophobicContact CB-CE2 3.81Å; E189-Y231 HydrophobicContact CG-CE2 4.48Å |
| 190 | A | 93.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68 | -45.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D188 L194 | D188-A190 VanDerWaalsContact C-N 3.28Å; D188-A190 PolarHBondContact O-N 2.94Å; D188-A190 PolarHBondContact OD1-N 3.42Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.59Å |
| 191 | A | 94.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | D188 L194 I195 | D188-A191 PolarHBondContact O-N 3.45Å; D188-A191 VanDerWaalsContact OD1-CB 3.22Å; D188-A191 WeakPolarHBondContact OD1-CB 3.23Å; D188-A191 PolarHBondContact OD1-N 2.71Å; A191-L194 PolarHBondContact O-N 3.44Å; A191-I195 WeakPolarHBondContact O-CD1 3.35Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.42Å; A191-I195 PolarHBondContact O-N 3.12Å |
| 192 | N | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 177.6 | -173.8 | 80.3 | 0 | 0 | 0 | 112.1 | P186 D188 L194 I195 A196 Y231 N233 M251 W257 | P186-N192 HydrophobicContact CB-CB 3.93Å; D188-N192 WeakPolarHBondContact O-CB 3.22Å; D188-N192 PolarHBondContact O-N 3.09Å; N192-L194 VanDerWaalsContact C-N 3.3Å; N192-L194 PolarHBondContact O-N 3.17Å; N192-I195 PolarHBondContact O-N 3.41Å; N192-A196 VanDerWaalsContact O-CB 3.31Å; N192-A196 WeakPolarHBondContact O-CB 3.39Å; N192-A196 PolarHBondContact O-N 3.09Å; N192-Y231 HydrophobicContact CB-CE1 3.79Å; N192-Y231 WeakPolarHBondContact CB-OH 3.29Å; N192-Y231 PolarHBondContact ND2-OH 3.24Å; N192-N233 PolarHBondContact ND2-ND2 3.47Å; N192-M251 VanDerWaalsContact OD1-CE 3.27Å; N192-M251 WeakPolarHBondContact OD1-CE 3.4Å; N192-W257 PolarHBondContact OD1-NE1 3.48Å |
| 193 | T | 96.3 | Very high | 95.3 | Very high | 81 Ų | 81 | 42 Ų | 42 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -38.7 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | E189 A196 D197 | E189-T193 VanDerWaalsContact O-CB 3.31Å; E189-T193 WeakPolarHBondContact O-CB 3.09Å; E189-T193 PolarHBondContact O-N 3.22Å; E189-T193 PolarHBondContact O-OG1 2.64Å; T193-A196 PolarHBondContact O-N 2.87Å; T193-D197 VanDerWaalsContact O-CB 3.27Å; T193-D197 WeakPolarHBondContact O-CB 3.48Å; T193-D197 PolarHBondContact O-N 2.89Å |
| 194 | L | 95.7 | Very high | 95.2 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.4 | -178.8 | 155.1 | 0 | 0 | 0 | 112 | R153 T155 Y160 A190 A191 N192 Y198 | R153-L194 HydrophobicContact CB-CD2 3.99Å; T155-L194 HydrophobicContact CG2-CD1 3.55Å; Y160-L194 HydrophobicContact CD2-CD2 3.47Å; Y160-L194 VanDerWaalsContact CD2-CD2 3.47Å; Y160-L194 HydrophobicContact CE2-CD2 3.71Å; Y160-L194 HydrophobicContact CG-CD2 4.33Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.59Å; A191-L194 PolarHBondContact O-N 3.44Å; N192-L194 VanDerWaalsContact C-N 3.3Å; N192-L194 PolarHBondContact O-N 3.17Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.82Å |
| 195 | I | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 177.9 | -62.4 | 160.3 | 0 | 0 | 0 | 109.7 | Y160 A184 P186 A191 N192 D197 Y198 V199 M251 V269 | Y160-I195 HydrophobicContact CD1-CD1 4.13Å; Y160-I195 HydrophobicContact CD1-CG1 3.99Å; Y160-I195 HydrophobicContact CE1-CD1 3.76Å; Y160-I195 HydrophobicContact CE1-CG1 4Å; Y160-I195 HydrophobicContact CG-CG1 4.31Å; A184-I195 HydrophobicContact CB-CD1 3.95Å; P186-I195 HydrophobicContact CB-CD1 4.13Å; A191-I195 WeakPolarHBondContact O-CD1 3.35Å; A191-I195 VanDerWaalsContact O-CG1 3.24Å; A191-I195 WeakPolarHBondContact O-CG1 3.42Å; A191-I195 PolarHBondContact O-N 3.12Å; N192-I195 PolarHBondContact O-N 3.41Å; I195-D197 PolarHBondContact O-N 3.07Å; I195-Y198 WeakPolarHBondContact O-CA 3.42Å; I195-Y198 WeakPolarHBondContact O-CB 3.29Å; I195-Y198 PolarHBondContact O-N 3.04Å; I195-Y198 VanDerWaalsContact O-N 3.1Å; I195-V199 HydrophobicContact CG2-CG2 4.27Å; I195-V199 VanDerWaalsContact O-CG2 3.28Å; I195-V199 WeakPolarHBondContact O-CG2 3.25Å; I195-V199 PolarHBondContact O-N 3Å; I195-M251 HydrophobicContact CB-CE 4.28Å; I195-M251 HydrophobicContact CB-SD 4.05Å; I195-M251 HydrophobicContact CG2-CE 4.11Å; I195-M251 HydrophobicContact CG2-SD 3.55Å; I195-M251 VanDerWaalsContact CG2-SD 3.55Å; I195-V269 HydrophobicContact CG2-CG1 4.31Å; I195-V269 HydrophobicContact CG2-CG2 4.13Å |
| 196 | A | 96.9 | Very high | 95 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N192 T193 Y198 V199 A200 M251 | N192-A196 VanDerWaalsContact O-CB 3.31Å; N192-A196 WeakPolarHBondContact O-CB 3.39Å; N192-A196 PolarHBondContact O-N 3.09Å; T193-A196 PolarHBondContact O-N 2.87Å; A196-Y198 VanDerWaalsContact C-N 3.26Å; A196-Y198 PolarHBondContact O-N 3.24Å; A196-V199 PolarHBondContact O-N 3.06Å; A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 2.89Å; A196-M251 HydrophobicContact CB-SD 4.37Å |
| 197 | D | 95.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 33% | 0.332 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 174.9 | 178.8 | 68.9 | 0 | 0 | 0 | 111.6 | T193 I195 K201 | T193-D197 VanDerWaalsContact O-CB 3.27Å; T193-D197 WeakPolarHBondContact O-CB 3.48Å; T193-D197 PolarHBondContact O-N 2.89Å; I195-D197 PolarHBondContact O-N 3.07Å; D197-K201 VanDerWaalsContact O-CB 3.23Å; D197-K201 WeakPolarHBondContact O-CB 3.17Å; D197-K201 VanDerWaalsContact O-CG 3.29Å; D197-K201 WeakPolarHBondContact O-CG 3.5Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 WeakPolarHBondContact OD1-CD 3.36Å; D197-K201 WeakPolarHBondContact OD1-CE 3.29Å; D197-K201 IonicContact OD1-NZ 2.79Å; D197-K201 PolarHBondContact OD1-NZ 3.5Å; D197-K201 WeakPolarHBondContact OD2-CD 3.36Å; D197-K201 WeakPolarHBondContact OD2-CE 3.29Å; D197-K201 IonicContact OD2-NZ 2.7Å; D197-K201 PolarHBondContact OD2-NZ 2.02Å |
| 198 | Y | 95.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | 176.1 | -173.6 | -159.4 | 0 | 0 | 0 | 112.1 | A150 G151 R153 I162 L194 I195 A196 S202 | A150-Y198 PolarHBondContact O-OH 3.45Å; G151-Y198 VanDerWaalsContact C-OH 3.25Å; G151-Y198 WeakPolarHBondContact O-CE2 3.45Å; G151-Y198 PolarHBondContact O-OH 3.49Å; R153-Y198 HydrophobicContact CB-CD1 4.06Å; R153-Y198 HydrophobicContact CB-CE1 4.36Å; R153-Y198 HydrophobicContact CB-CG 4.34Å; R153-Y198 HydrophobicContact CG-CD1 3.58Å; R153-Y198 HydrophobicContact CG-CD2 3.65Å; R153-Y198 HydrophobicContact CG-CE1 4Å; R153-Y198 HydrophobicContact CG-CE2 4.11Å; R153-Y198 HydrophobicContact CG-CG 3.39Å; I162-Y198 HydrophobicContact CB-CE1 4.3Å; I162-Y198 HydrophobicContact CD1-CD1 3.7Å; I162-Y198 HydrophobicContact CD1-CD2 3.72Å; I162-Y198 HydrophobicContact CD1-CE1 3.69Å; I162-Y198 HydrophobicContact CD1-CE2 3.65Å; I162-Y198 HydrophobicContact CD1-CG 3.72Å; I162-Y198 HydrophobicContact CG1-CD1 3.83Å; I162-Y198 HydrophobicContact CG1-CE1 3.52Å; I162-Y198 HydrophobicContact CG1-CE2 4.31Å; I162-Y198 HydrophobicContact CG1-CG 4.37Å; I162-Y198 PolarHBondContact N-OH 2.71Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.82Å; I195-Y198 WeakPolarHBondContact O-CA 3.42Å; I195-Y198 WeakPolarHBondContact O-CB 3.29Å; I195-Y198 PolarHBondContact O-N 3.04Å; I195-Y198 VanDerWaalsContact O-N 3.1Å; A196-Y198 VanDerWaalsContact C-N 3.26Å; A196-Y198 PolarHBondContact O-N 3.24Å; Y198-S202 WeakPolarHBondContact CD2-OG 3Å; Y198-S202 WeakPolarHBondContact CE2-OG 3.49Å; Y198-S202 VanDerWaalsContact O-CB 3.25Å; Y198-S202 WeakPolarHBondContact O-CB 3.05Å; Y198-S202 PolarHBondContact O-N 3.04Å; Y198-S202 VanDerWaalsContact O-N 3.07Å; Y198-S202 PolarHBondContact O-OG 3.34Å |
| 199 | V | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | I162 I195 A196 S202 G203 F204 V207 V269 | I162-V199 HydrophobicContact CD1-CG2 4.34Å; I195-V199 HydrophobicContact CG2-CG2 4.27Å; I195-V199 VanDerWaalsContact O-CG2 3.28Å; I195-V199 WeakPolarHBondContact O-CG2 3.25Å; I195-V199 PolarHBondContact O-N 3Å; A196-V199 PolarHBondContact O-N 3.06Å; V199-S202 PolarHBondContact O-N 2.88Å; V199-G203 PolarHBondContact O-N 3.41Å; V199-F204 HydrophobicContact CG1-CB 3.98Å; V199-F204 WeakPolarHBondContact CG1-O 3.3Å; V199-F204 PolarHBondContact O-N 2.77Å; V199-F204 VanDerWaalsContact O-N 3.14Å; V199-V207 HydrophobicContact CG1-CG1 4.23Å; V199-V207 HydrophobicContact CG1-CG2 4.3Å; V199-V207 HydrophobicContact CG2-CG1 4.15Å; V199-V207 HydrophobicContact CG2-CG2 3.54Å; V199-V269 HydrophobicContact CG2-CG2 4.25Å |
| 200 | A | 95.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -48.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A196 S202 G203 | A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 2.89Å; A200-S202 PolarHBondContact O-N 3.4Å; A200-G203 PolarHBondContact O-N 2.96Å |
| 201 | K | 93.5 | Very high | 95.9 | Very high | 141 Ų | 141 | 38.7 Ų | 38.7 | 61% | 0.613 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.8 | -22.9 | 179.2 | -75.6 | 175.9 | 176 | 154.4 | 0 | 113.4 | D197 G203 | D197-K201 VanDerWaalsContact O-CB 3.23Å; D197-K201 WeakPolarHBondContact O-CB 3.17Å; D197-K201 VanDerWaalsContact O-CG 3.29Å; D197-K201 WeakPolarHBondContact O-CG 3.5Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 WeakPolarHBondContact OD1-CD 3.36Å; D197-K201 WeakPolarHBondContact OD1-CE 3.29Å; D197-K201 IonicContact OD1-NZ 2.79Å; D197-K201 PolarHBondContact OD1-NZ 3.5Å; D197-K201 WeakPolarHBondContact OD2-CD 3.36Å; D197-K201 WeakPolarHBondContact OD2-CE 3.29Å; D197-K201 IonicContact OD2-NZ 2.7Å; D197-K201 PolarHBondContact OD2-NZ 2.02Å; K201-G203 VanDerWaalsContact C-N 3.28Å |
| 202 | S | 92.3 | Very high | 96 | Very high | 43 Ų | 43 | 39 Ų | 39 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.4 | 176 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | Y198 V199 A200 | Y198-S202 WeakPolarHBondContact CD2-OG 3Å; Y198-S202 WeakPolarHBondContact CE2-OG 3.49Å; Y198-S202 VanDerWaalsContact O-CB 3.25Å; Y198-S202 WeakPolarHBondContact O-CB 3.05Å; Y198-S202 PolarHBondContact O-N 3.04Å; Y198-S202 VanDerWaalsContact O-N 3.07Å; Y198-S202 PolarHBondContact O-OG 3.34Å; V199-S202 PolarHBondContact O-N 2.88Å; A200-S202 PolarHBondContact O-N 3.4Å |
| 203 | G | 93.1 | Very high | 95.9 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 15.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | V199 A200 K201 | V199-G203 PolarHBondContact O-N 3.41Å; A200-G203 PolarHBondContact O-N 2.96Å; K201-G203 VanDerWaalsContact C-N 3.28Å |
| 204 | F | 94.4 | Very high | 95.8 | Very high | 26 Ų | 26 | 39 Ų | 39 | 11% | 0.114 | 21% | 0.207 | C | C | . | . | trans | -91.6 | 140.6 | 175.9 | -59.4 | -67 | 0 | 0 | 0 | 110.5 | I162 Q164 V199 V207 S253 Y267 | I162-F204 HydrophobicContact CB-CE2 4.48Å; I162-F204 HydrophobicContact CD1-CD2 4.06Å; I162-F204 HydrophobicContact CD1-CE2 4.28Å; I162-F204 HydrophobicContact CG2-CD2 3.92Å; I162-F204 HydrophobicContact CG2-CE2 3.62Å; I162-F204 HydrophobicContact CG2-CZ 4.26Å; Q164-F204 HydrophobicContact CG-CE2 4.38Å; Q164-F204 HydrophobicContact CG-CZ 3.73Å; V199-F204 HydrophobicContact CG1-CB 3.98Å; V199-F204 WeakPolarHBondContact CG1-O 3.3Å; V199-F204 PolarHBondContact O-N 2.77Å; V199-F204 VanDerWaalsContact O-N 3.14Å; F204-V207 HydrophobicContact CB-CG1 4.26Å; F204-S253 WeakPolarHBondContact O-CB 3.16Å; F204-Y267 AromaticContact CD1-CD2 3.39Å; F204-Y267 HydrophobicContact CD1-CD2 3.39Å; F204-Y267 AromaticContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CG 4.17Å; F204-Y267 AromaticContact CE1-CD2 3.49Å; F204-Y267 HydrophobicContact CE1-CD2 3.49Å; F204-Y267 VanDerWaalsContact CE1-CD2 3.49Å; F204-Y267 AromaticContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CG 4.04Å; F204-Y267 HydrophobicContact CG-CD2 4.43Å | ||
| 205 | F | 94.8 | Very high | 95.7 | Very high | 170 Ų | 170 | 44.2 Ų | 44.2 | 75% | 0.746 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -89.4 | -32 | 179 | -63.3 | -70.7 | 0 | 0 | 0 | 113.2 | L252 S253 | F205-L252 CarbonylContact O-C 3.56Å; F205-L252 WeakPolarHBondContact O-CA 3.49Å; F205-S253 PolarHBondContact O-N 2.87Å |
| 206 | R | 96.7 | Very high | 95.4 | Very high | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 149.7 | -178.8 | 64.4 | -170.9 | -173.4 | 156.3 | -6.1 | 111.2 | E250 M251 L252 | R206-E250 WeakPolarHBondContact CD-OE1 3.39Å; R206-E250 WeakPolarHBondContact CD-OE2 3.22Å; R206-E250 IonicContact CZ-OE2 3.72Å; R206-E250 IonicContact NE-OE2 3.82Å; R206-E250 IonicContact NH1-OE1 3.51Å; R206-E250 IonicContact NH1-OE2 3.04Å; R206-E250 PolarHBondContact NH1-OE2 3.21Å; R206-M251 CarbonylContact C-O 3.46Å; R206-M251 VanDerWaalsContact CA-O 3.25Å; R206-M251 WeakPolarHBondContact CA-O 3.29Å; R206-L252 HydrophobicContact CB-CD2 3.99Å |
| 207 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 150.6 | 179.8 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | V199 F204 E250 M251 Y267 V269 | V199-V207 HydrophobicContact CG1-CG1 4.23Å; V199-V207 HydrophobicContact CG1-CG2 4.3Å; V199-V207 HydrophobicContact CG2-CG1 4.15Å; V199-V207 HydrophobicContact CG2-CG2 3.54Å; F204-V207 HydrophobicContact CB-CG1 4.26Å; V207-E250 CarbonylContact O-C 3.17Å; V207-E250 VanDerWaalsContact O-CA 3.29Å; V207-E250 WeakPolarHBondContact O-CA 3.46Å; V207-M251 HydrophobicContact CG2-CB 4.22Å; V207-M251 PolarHBondContact N-O 2.89Å; V207-M251 PolarHBondContact O-N 2.83Å; V207-Y267 CarbonylContact C-O 3.5Å; V207-Y267 WeakPolarHBondContact CA-O 3.41Å; V207-Y267 WeakPolarHBondContact CB-O 2.94Å; V207-V269 HydrophobicContact CB-CG2 4.08Å; V207-V269 HydrophobicContact CG1-CG2 4.45Å; V207-V269 HydrophobicContact CG2-CG2 3.61Å |
| 208 | F | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 140 | 169.1 | -76.4 | -52.7 | 0 | 0 | 0 | 112 | K167 Y169 C248 T260 L264 M266 Y267 F268 V269 | K167-F208 WeakPolarHBondContact O-CE2 3.47Å; Y169-F208 HydrophobicContact CD2-CB 4.32Å; Y169-F208 AromaticContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD1 3.65Å; Y169-F208 HydrophobicContact CD2-CD2 4.43Å; Y169-F208 AromaticContact CD2-CE1 3.95Å; Y169-F208 HydrophobicContact CD2-CE1 3.95Å; Y169-F208 AromaticContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CG 3.91Å; Y169-F208 HydrophobicContact CD2-CZ 4.45Å; Y169-F208 HydrophobicContact CE2-CD1 4.28Å; F208-C248 HydrophobicContact CE1-CB 4.36Å; F208-T260 HydrophobicContact CE1-CG2 3.74Å; F208-L264 VanDerWaalsContact CE2-O 3.29Å; F208-L264 WeakPolarHBondContact CE2-O 3.33Å; F208-L264 VanDerWaalsContact CZ-O 3.29Å; F208-L264 WeakPolarHBondContact CZ-O 3.37Å; F208-M266 HydrophobicContact CD1-CE 4.17Å; F208-M266 HydrophobicContact CD1-CG 4.22Å; F208-M266 HydrophobicContact CD1-SD 3.79Å; F208-M266 HydrophobicContact CD2-CG 3.36Å; F208-M266 HydrophobicContact CD2-SD 4.05Å; F208-M266 HydrophobicContact CE1-CE 3.63Å; F208-M266 HydrophobicContact CE1-CG 4.31Å; F208-M266 HydrophobicContact CE1-SD 3.89Å; F208-M266 HydrophobicContact CE2-CE 4.11Å; F208-M266 HydrophobicContact CE2-CG 3.46Å; F208-M266 VanDerWaalsContact CE2-CG 3.46Å; F208-M266 HydrophobicContact CE2-SD 4.14Å; F208-M266 HydrophobicContact CG-CG 3.77Å; F208-M266 HydrophobicContact CG-SD 3.87Å; F208-M266 HydrophobicContact CZ-CE 3.59Å; F208-M266 HydrophobicContact CZ-CG 3.95Å; F208-M266 HydrophobicContact CZ-SD 4.07Å; F208-Y267 PolarHBondContact N-O 2.81Å; F208-F268 HydrophobicContact CB-CB 3.82Å; F208-V269 PolarHBondContact O-N 2.85Å |
| 209 | I | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.6 | 171.2 | 62.5 | 170.4 | 0 | 0 | 0 | 110.8 | Y169 P186 V211 V249 M251 W257 | Y169-I209 VanDerWaalsContact CE2-O 3.29Å; Y169-I209 WeakPolarHBondContact CE2-O 3.32Å; Y169-I209 PolarHBondContact OH-O 3.24Å; P186-I209 HydrophobicContact CG-CD1 4.07Å; I209-V211 HydrophobicContact CD1-CG2 3.99Å; I209-V211 HydrophobicContact CG1-CG2 4.29Å; I209-V211 PolarHBondContact O-N 3.43Å; I209-V249 HydrophobicContact CD1-CB 4.46Å; I209-V249 HydrophobicContact CD1-CG1 3.74Å; I209-V249 HydrophobicContact CG1-CB 4.1Å; I209-V249 HydrophobicContact CG1-CG1 3.84Å; I209-V249 PolarHBondContact N-O 2.73Å; I209-V249 VanDerWaalsContact N-O 3.13Å; I209-M251 HydrophobicContact CD1-CB 4.27Å; I209-M251 HydrophobicContact CD1-CE 4.37Å; I209-M251 HydrophobicContact CG2-CB 3.55Å; I209-M251 HydrophobicContact CG2-CE 4.08Å; I209-M251 HydrophobicContact CG2-SD 4.39Å; I209-W257 HydrophobicContact CD1-CD2 3.92Å; I209-W257 HydrophobicContact CD1-CG 4Å |
| 210 | G | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 51.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L183 A184 F222 T223 | L183-G210 VanDerWaalsContact CB-CA 3.42Å; A184-G210 WeakPolarHBondContact O-CA 3.02Å; A184-G210 PolarHBondContact O-N 2.79Å; G210-F222 CarbonylContact O-C 3.51Å; G210-F222 VanDerWaalsContact O-CA 3.24Å; G210-F222 WeakPolarHBondContact O-CA 3.36Å; G210-T223 VanDerWaalsContact CA-CG2 3.42Å; G210-T223 PolarHBondContact O-N 3.07Å |
| 211 | V | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.6 | 173.4 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | Y169 I209 Y220 V221 F222 V249 W257 | Y169-V211 PolarHBondContact OH-N 3.33Å; Y169-V211 PolarHBondContact OH-O 2.76Å; I209-V211 HydrophobicContact CD1-CG2 3.99Å; I209-V211 HydrophobicContact CG1-CG2 4.29Å; I209-V211 PolarHBondContact O-N 3.43Å; V211-Y220 HydrophobicContact CG1-CD1 3.96Å; V211-Y220 HydrophobicContact CG1-CG 4.48Å; V211-V221 WeakPolarHBondContact CA-O 3.21Å; V211-F222 HydrophobicContact CG2-CD1 3.72Å; V211-F222 HydrophobicContact CG2-CE1 3.66Å; V211-V249 HydrophobicContact CB-CB 3.89Å; V211-V249 HydrophobicContact CB-CG1 4.34Å; V211-V249 HydrophobicContact CB-CG2 3.78Å; V211-V249 HydrophobicContact CG1-CB 4.45Å; V211-V249 HydrophobicContact CG1-CG2 3.82Å; V211-V249 WeakPolarHBondContact O-CB 3.29Å; V211-V249 WeakPolarHBondContact O-CG2 3.4Å; V211-V249 PolarHBondContact O-N 3.42Å; V211-W257 HydrophobicContact CG2-CZ3 4.39Å |
| 212 | N | 96.3 | Very high | 95 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 160.8 | -178.9 | 63.4 | 101.1 | 0 | 0 | 0 | 110.1 | Y169 L214 Y220 V221 D247 | Y169-N212 HydrophobicContact CE1-CB 4.05Å; Y169-N212 PolarHBondContact OH-ND2 3.02Å; N212-L214 HydrophobicContact CB-CD1 4.06Å; N212-L214 HydrophobicContact CB-CG 4.07Å; N212-Y220 WeakPolarHBondContact O-CA 3.47Å; N212-V221 PolarHBondContact N-O 3.02Å; N212-V221 WeakPolarHBondContact O-CG2 3.24Å; N212-V221 PolarHBondContact O-N 2.99Å; N212-V221 VanDerWaalsContact O-O 3.1Å; N212-D247 VanDerWaalsContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CB-O 3.45Å |
| 213 | D | 95.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -125.9 | 22.6 | 172.3 | 59.8 | -25.1 | 0 | 0 | 0 | 112.6 | E215 R216 G218 Y220 D247 | D213-E215 PolarHBondContact O-N 2.87Å; D213-R216 CarbonylContact O-C 3.5Å; D213-R216 PolarHBondContact O-N 3.14Å; D213-G218 PolarHBondContact OD2-N 3.06Å; D213-Y220 HydrophobicContact CB-CD1 3.96Å; D213-Y220 HydrophobicContact CB-CD2 4.23Å; D213-Y220 HydrophobicContact CB-CE1 4.1Å; D213-Y220 HydrophobicContact CB-CE2 4.31Å; D213-Y220 HydrophobicContact CB-CG 4.05Å; D213-Y220 WeakPolarHBondContact OD1-CE1 3.22Å; D213-Y220 WeakPolarHBondContact OD2-CE2 3.36Å; D213-D247 PolarHBondContact N-O 3.37Å; D213-D247 VanDerWaalsContact N-O 3.11Å; D213-D247 WeakPolarHBondContact OD1-CA 3.44Å | ||
| 214 | L | 94 | Very high | 95.2 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 45% | 0.45 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43 | -30.7 | 175.9 | -74.2 | 167.6 | 0 | 0 | 0 | 116.1 | Y169 N212 D247 | Y169-L214 HydrophobicContact CD1-CD1 4.35Å; Y169-L214 HydrophobicContact CE1-CD1 4.21Å; N212-L214 HydrophobicContact CB-CD1 4.06Å; N212-L214 HydrophobicContact CB-CG 4.07Å; L214-D247 HydrophobicContact CD2-CB 3.62Å; L214-D247 HydrophobicContact CG-CB 3.98Å |
| 215 | E | 92.1 | Very high | 95.2 | Very high | 157 Ų | 157 | 57.6 Ų | 57.6 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -33.9 | 179.5 | -67.6 | -166.7 | 177.8 | 0 | 0 | 113 | D213 | D213-E215 PolarHBondContact O-N 2.87Š|
| 216 | R | 91.7 | Very high | 95.2 | Very high | 163 Ų | 163 | 51.8 Ų | 51.8 | 62% | 0.615 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -154.5 | 107.9 | -171.8 | -70.4 | -174 | -175.1 | -170.5 | 1.4 | 109.7 | D213 G218 Q219 | D213-R216 CarbonylContact O-C 3.5Å; D213-R216 PolarHBondContact O-N 3.14Å; R216-G218 PolarHBondContact O-N 2.84Å; R216-Q219 HydrophobicContact CB-CB 3.94Å; R216-Q219 HydrophobicContact CB-CG 4.29Å; R216-Q219 WeakPolarHBondContact O-CA 3.42Å; R216-Q219 WeakPolarHBondContact O-CB 3.42Å; R216-Q219 PolarHBondContact O-N 3.11Å |
| 217 | E | 92.1 | Very high | 95 | Very high | 101 Ų | 101 | 49.6 Ų | 49.6 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.8 | 127 | 175.4 | -173 | 51.1 | -115.5 | 0 | 0 | 112.9 | Q219 | E217-Q219 PolarHBondContact O-N 2.8Š|
| 218 | G | 89.9 | Confident | 94.8 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 55% | 0.546 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -0.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D213 R216 | D213-G218 PolarHBondContact OD2-N 3.06Å; R216-G218 PolarHBondContact O-N 2.84Å |
| 219 | Q | 93.1 | Very high | 93.9 | Very high | 110 Ų | 110 | 58.5 Ų | 58.5 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | trans | -107.5 | 78.2 | 174.8 | -62.4 | -170.7 | 0.8 | 0 | 0 | 111.1 | R216 E217 V221 | R216-Q219 HydrophobicContact CB-CB 3.94Å; R216-Q219 HydrophobicContact CB-CG 4.29Å; R216-Q219 WeakPolarHBondContact O-CA 3.42Å; R216-Q219 WeakPolarHBondContact O-CB 3.42Å; R216-Q219 PolarHBondContact O-N 3.11Å; E217-Q219 PolarHBondContact O-N 2.8Å; Q219-V221 PolarHBondContact O-N 2.68Å | ||
| 220 | Y | 95.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | trans | -62.9 | 131.2 | 178.7 | -70.6 | -89.8 | 0 | 0 | 0 | 112.9 | V211 N212 D213 L228 W234 P239 V249 D259 | V211-Y220 HydrophobicContact CG1-CD1 3.96Å; V211-Y220 HydrophobicContact CG1-CG 4.48Å; N212-Y220 WeakPolarHBondContact O-CA 3.47Å; D213-Y220 HydrophobicContact CB-CD1 3.96Å; D213-Y220 HydrophobicContact CB-CD2 4.23Å; D213-Y220 HydrophobicContact CB-CE1 4.1Å; D213-Y220 HydrophobicContact CB-CE2 4.31Å; D213-Y220 HydrophobicContact CB-CG 4.05Å; D213-Y220 WeakPolarHBondContact OD1-CE1 3.22Å; D213-Y220 WeakPolarHBondContact OD2-CE2 3.36Å; Y220-L228 WeakPolarHBondContact O-CB 3.49Å; Y220-L228 PolarHBondContact O-N 2.87Å; Y220-W234 AromaticContact CD1-CH2 3.79Å; Y220-W234 HydrophobicContact CD1-CH2 3.79Å; Y220-W234 AromaticContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD2-CH2 4.48Å; Y220-W234 AromaticContact CD2-CZ2 4Å; Y220-W234 HydrophobicContact CD2-CZ2 4Å; Y220-W234 AromaticContact CE1-CH2 3.53Å; Y220-W234 HydrophobicContact CE1-CH2 3.53Å; Y220-W234 AromaticContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE2-CH2 4.32Å; Y220-W234 HydrophobicContact CE2-CZ2 4.17Å; Y220-W234 HydrophobicContact CG-CH2 4.24Å; Y220-W234 AromaticContact CG-CZ2 3.84Å; Y220-W234 HydrophobicContact CG-CZ2 3.84Å; Y220-W234 AromaticContact CZ-CH2 3.84Å; Y220-P239 HydrophobicContact CD2-CG 4.39Å; Y220-P239 HydrophobicContact CE2-CB 3.82Å; Y220-P239 HydrophobicContact CE2-CG 3.59Å; Y220-P239 VanDerWaalsContact OH-CB 3.25Å; Y220-P239 WeakPolarHBondContact OH-CB 3.47Å; Y220-V249 HydrophobicContact CD1-CG2 3.92Å; Y220-V249 HydrophobicContact CE1-CG2 3.71Å; Y220-D259 WeakPolarHBondContact OH-CB 3.31Å | ||
| 221 | V | 96.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.6 | 176 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | V211 N212 Q219 | V211-V221 WeakPolarHBondContact CA-O 3.21Å; N212-V221 PolarHBondContact N-O 3.02Å; N212-V221 WeakPolarHBondContact O-CG2 3.24Å; N212-V221 PolarHBondContact O-N 2.99Å; N212-V221 VanDerWaalsContact O-O 3.1Å; Q219-V221 PolarHBondContact O-N 2.68Å |
| 222 | F | 97.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 70.9 Ų | 70.9 | 4% | 0.039 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 160.2 | 167.1 | -67.5 | -74.1 | 0 | 0 | 0 | 110.5 | M185 K187 G210 V211 D224 N225 T226 L228 | M185-F222 HydrophobicContact CB-CB 4.49Å; M185-F222 HydrophobicContact CB-CD1 3.69Å; M185-F222 HydrophobicContact CB-CE1 4.28Å; M185-F222 HydrophobicContact CB-CG 4.32Å; M185-F222 HydrophobicContact CG-CB 4.03Å; M185-F222 HydrophobicContact CG-CD1 3.89Å; M185-F222 HydrophobicContact CG-CG 4.34Å; M185-F222 HydrophobicContact SD-CB 3.75Å; K187-F222 HydrophobicContact CB-CZ 4.49Å; K187-F222 HydrophobicContact CG-CD2 4.36Å; K187-F222 HydrophobicContact CG-CE1 4.18Å; K187-F222 HydrophobicContact CG-CE2 4.03Å; K187-F222 HydrophobicContact CG-CZ 3.93Å; G210-F222 CarbonylContact O-C 3.51Å; G210-F222 VanDerWaalsContact O-CA 3.24Å; G210-F222 WeakPolarHBondContact O-CA 3.36Å; V211-F222 HydrophobicContact CG2-CD1 3.72Å; V211-F222 HydrophobicContact CG2-CE1 3.66Å; F222-D224 VanDerWaalsContact CB-OD1 3.31Å; F222-D224 WeakPolarHBondContact CB-OD1 3.34Å; F222-D224 PolarHBondContact O-N 3.29Å; F222-N225 WeakPolarHBondContact O-CA 3.44Å; F222-N225 PolarHBondContact O-N 3.24Å; F222-T226 WeakPolarHBondContact CD2-O 3.15Å; F222-T226 WeakPolarHBondContact CD2-OG1 3.25Å; F222-T226 PolarHBondContact N-O 3.27Å; F222-L228 HydrophobicContact CE1-CD1 4.27Å; F222-L228 HydrophobicContact CE2-CD1 3.75Å; F222-L228 HydrophobicContact CZ-CD1 3.5Å; F222-L228 VanDerWaalsContact CZ-CD1 3.5Å |
| 223 | T | 95.5 | Very high | 92.8 | Very high | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.8 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 115.5 | L173 M182 L183 M185 G210 N225 | L173-T223 HydrophobicContact CD2-CG2 3.38Å; M182-T223 WeakPolarHBondContact CE-O 3.46Å; L183-T223 HydrophobicContact CB-CG2 4.26Å; M185-T223 PolarHBondContact SD-OG1 3.25Å; M185-T223 VanDerWaalsContact SD-OG1 3.35Å; G210-T223 VanDerWaalsContact CA-CG2 3.42Å; G210-T223 PolarHBondContact O-N 3.07Å; T223-N225 VanDerWaalsContact C-N 3.33Å |
| 224 | D | 94.3 | Very high | 92.8 | Very high | 56 Ų | 56 | 73.4 Ų | 73.4 | 30% | 0.299 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 14.5 | 170.2 | 71 | -9.6 | 0 | 0 | 0 | 113.5 | M182 M185 K187 F222 T226 | M182-D224 HydrophobicContact CE-CB 3.78Å; M182-D224 HydrophobicContact SD-CB 4.19Å; M185-D224 HydrophobicContact CE-CB 4.06Å; M185-D224 HydrophobicContact SD-CB 3.8Å; M185-D224 VanDerWaalsContact SD-CG 3.51Å; K187-D224 IonicContact NZ-OD1 3.91Å; K187-D224 PolarHBondContact NZ-OD1 3.21Å; K187-D224 IonicContact NZ-OD2 3.82Å; K187-D224 PolarHBondContact NZ-OD2 3.43Å; F222-D224 VanDerWaalsContact CB-OD1 3.31Å; F222-D224 WeakPolarHBondContact CB-OD1 3.34Å; F222-D224 PolarHBondContact O-N 3.29Å; D224-T226 PolarHBondContact O-N 2.7Å; D224-T226 WeakPolarHBondContact OD1-CB 3.39Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.37Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 VanDerWaalsContact OD1-N 3.09Å; D224-T226 PolarHBondContact OD1-OG1 3.19Å |
| 225 | N | 93.4 | Very high | 92.9 | Very high | 119 Ų | 119 | 72 Ų | 72 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 64 | 13.1 | -178.4 | -51.2 | -29.3 | 0 | 0 | 0 | 114.1 | F222 T223 | F222-N225 WeakPolarHBondContact O-CA 3.44Å; F222-N225 PolarHBondContact O-N 3.24Å; T223-N225 VanDerWaalsContact C-N 3.33Å |
| 226 | T | 94.4 | Very high | 93 | Very high | 48 Ų | 48 | 73 Ų | 73 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -74.9 | 130.1 | 169.4 | 58.7 | 0 | 0 | 0 | 0 | 109.4 | K187 F222 D224 | K187-T226 WeakPolarHBondContact CE-OG1 3.34Å; K187-T226 PolarHBondContact NZ-OG1 3.13Å; F222-T226 WeakPolarHBondContact CD2-O 3.15Å; F222-T226 WeakPolarHBondContact CD2-OG1 3.25Å; F222-T226 PolarHBondContact N-O 3.27Å; D224-T226 PolarHBondContact O-N 2.7Å; D224-T226 WeakPolarHBondContact OD1-CB 3.39Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.37Å; D224-T226 PolarHBondContact OD1-N 2.84Å; D224-T226 VanDerWaalsContact OD1-N 3.09Å; D224-T226 PolarHBondContact OD1-OG1 3.19Å | ||
| 227 | P | 94.1 | Very high | 93 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 147.9 | -179.4 | 27.9 | -35.2 | 0 | 0 | 0 | 111.4 | Q229 | P227-Q229 HydrophobicContact CB-CG 4.27Å; P227-Q229 HydrophobicContact CG-CG 4.05Å; P227-Q229 VanDerWaalsContact CG-NE2 3.29Å; P227-Q229 PolarHBondContact O-N 2.79Å; P227-Q229 VanDerWaalsContact O-N 3.14Å |
| 228 | L | 92.5 | Very high | 93.1 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | trans | -70.4 | 105.9 | 170.3 | -164.9 | 70.3 | 0 | 0 | 0 | 108.4 | Y220 F222 Y231 W234 W257 | Y220-L228 WeakPolarHBondContact O-CB 3.49Å; Y220-L228 PolarHBondContact O-N 2.87Å; F222-L228 HydrophobicContact CE1-CD1 4.27Å; F222-L228 HydrophobicContact CE2-CD1 3.75Å; F222-L228 HydrophobicContact CZ-CD1 3.5Å; F222-L228 VanDerWaalsContact CZ-CD1 3.5Å; L228-Y231 WeakPolarHBondContact CD1-O 3.29Å; L228-W234 HydrophobicContact CD2-CZ2 4.09Å; L228-W257 HydrophobicContact CD1-CH2 4.38Å; L228-W257 HydrophobicContact CD1-CZ3 3.98Å | ||
| 229 | Q | 79.6 | Confident | 93.1 | Very high | 145 Ų | 145 | 65.6 Ų | 65.6 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | trans | -117.3 | -71.2 | -178.9 | -67.1 | -176.4 | 8.5 | 0 | 0 | 111.7 | P227 | P227-Q229 HydrophobicContact CB-CG 4.27Å; P227-Q229 HydrophobicContact CG-CG 4.05Å; P227-Q229 VanDerWaalsContact CG-NE2 3.29Å; P227-Q229 PolarHBondContact O-N 2.79Å; P227-Q229 VanDerWaalsContact O-N 3.14Å | ||
| 230 | N | 82.3 | Confident | 92.9 | Very high | 158 Ų | 158 | 63.4 Ų | 63.4 | 85% | 0.845 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -95.5 | -14.4 | -160.4 | -62.1 | -22.6 | 0 | 0 | 0 | 114.2 | ||
| 231 | Y | 92.7 | Very high | 92.3 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | trans | -142.7 | 129.9 | -176.3 | -179 | -100.1 | 0 | 0 | 0 | 109.9 | P186 K187 E189 N192 L228 N233 W257 | P186-Y231 WeakPolarHBondContact O-CD1 3.42Å; K187-Y231 WeakPolarHBondContact O-CB 3.04Å; E189-Y231 HydrophobicContact CB-CE2 3.81Å; E189-Y231 HydrophobicContact CG-CE2 4.48Å; N192-Y231 HydrophobicContact CB-CE1 3.79Å; N192-Y231 WeakPolarHBondContact CB-OH 3.29Å; N192-Y231 PolarHBondContact ND2-OH 3.24Å; L228-Y231 WeakPolarHBondContact CD1-O 3.29Å; Y231-N233 HydrophobicContact CE1-CB 4.37Å; Y231-W257 HydrophobicContact CD1-CH2 4.14Å; Y231-W257 HydrophobicContact CD1-CZ2 4.32Å; Y231-W257 HydrophobicContact CE1-CH2 4.1Å; Y231-W257 AromaticContact CE1-CZ2 3.83Å; Y231-W257 HydrophobicContact CE1-CZ2 3.83Å | ||
| 232 | S | 94.8 | Very high | 91.1 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | trans | -145.9 | 153.3 | 166.5 | 63 | 0 | 0 | 0 | 0 | 108.2 | W234 | S232-W234 VanDerWaalsContact CB-CD1 3.49Š| ||
| 233 | N | 96.8 | Very high | 90.2 | Very high | 36 Ų | 36 | 75 Ų | 75 | 19% | 0.193 | 41% | 0.405 | C | S | . | . | trans | -127.7 | 42.1 | 178.5 | -159.2 | 46.6 | 0 | 0 | 0 | 111.7 | N192 Y231 G255 R256 W257 | N192-N233 PolarHBondContact ND2-ND2 3.47Å; Y231-N233 HydrophobicContact CE1-CB 4.37Å; N233-G255 VanDerWaalsContact ND2-C 3.26Å; N233-G255 PolarHBondContact ND2-O 3.05Å; N233-R256 CarbonylContact O-C 3.53Å; N233-R256 VanDerWaalsContact O-CA 3.3Å; N233-R256 WeakPolarHBondContact O-CA 3.28Å; N233-W257 HydrophobicContact CB-CD2 4.15Å; N233-W257 HydrophobicContact CB-CG 4.39Å; N233-W257 HydrophobicContact CB-CZ2 4.01Å; N233-W257 PolarHBondContact O-N 2.92Å | ||
| 234 | W | 96.8 | Very high | 89.6 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 13% | 0.125 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -53.2 | 143.6 | 177.9 | -63.6 | 117.9 | 0 | 0 | 0 | 112.2 | Y220 L228 S232 E238 P239 V249 R256 W257 D259 | Y220-W234 AromaticContact CD1-CH2 3.79Å; Y220-W234 HydrophobicContact CD1-CH2 3.79Å; Y220-W234 AromaticContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD1-CZ2 3.86Å; Y220-W234 HydrophobicContact CD2-CH2 4.48Å; Y220-W234 AromaticContact CD2-CZ2 4Å; Y220-W234 HydrophobicContact CD2-CZ2 4Å; Y220-W234 AromaticContact CE1-CH2 3.53Å; Y220-W234 HydrophobicContact CE1-CH2 3.53Å; Y220-W234 AromaticContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE1-CZ2 3.98Å; Y220-W234 HydrophobicContact CE2-CH2 4.32Å; Y220-W234 HydrophobicContact CE2-CZ2 4.17Å; Y220-W234 HydrophobicContact CG-CH2 4.24Å; Y220-W234 AromaticContact CG-CZ2 3.84Å; Y220-W234 HydrophobicContact CG-CZ2 3.84Å; Y220-W234 AromaticContact CZ-CH2 3.84Å; L228-W234 HydrophobicContact CD2-CZ2 4.09Å; S232-W234 VanDerWaalsContact CB-CD1 3.49Å; W234-E238 HydrophobicContact CB-CB 4.33Å; W234-E238 WeakPolarHBondContact CB-O 3.34Å; W234-E238 HydrophobicContact CE3-CB 4.07Å; W234-P239 HydrophobicContact CD2-CG 4.49Å; W234-P239 HydrophobicContact CE3-CB 4.39Å; W234-P239 HydrophobicContact CH2-CB 4.14Å; W234-P239 HydrophobicContact CH2-CG 4.45Å; W234-P239 HydrophobicContact CZ2-CB 4.4Å; W234-P239 HydrophobicContact CZ2-CG 4.21Å; W234-P239 HydrophobicContact CZ3-CB 4.14Å; W234-V249 HydrophobicContact CH2-CG1 4.12Å; W234-V249 HydrophobicContact CH2-CG2 3.57Å; W234-V249 HydrophobicContact CZ3-CG1 3.94Å; W234-V249 HydrophobicContact CZ3-CG2 4.07Å; W234-R256 PolarHBondContact O-NH1 3.1Å; W234-W257 HydrophobicContact CD2-CB 4.34Å; W234-W257 HydrophobicContact CD2-CE3 4.36Å; W234-W257 HydrophobicContact CE3-CB 3.69Å; W234-W257 HydrophobicContact CZ2-CE3 4.47Å; W234-W257 HydrophobicContact CZ3-CB 4.01Å; W234-D259 HydrophobicContact CZ3-CB 4.43Å |
| 235 | N | 96.7 | Very high | 89.2 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 162.5 | 169.1 | -165.4 | 28.7 | 0 | 0 | 0 | 110.1 | G237 E238 R256 W257 | N235-G237 PolarHBondContact O-N 3.04Å; N235-G237 VanDerWaalsContact O-N 3.14Å; N235-E238 HydrophobicContact CB-CB 4.43Å; N235-E238 HydrophobicContact CB-CG 3.76Å; N235-E238 PolarHBondContact O-N 3.36Å; N235-E238 VanDerWaalsContact O-N 3.09Å; N235-R256 HydrophobicContact CB-CB 3.92Å; N235-W257 WeakPolarHBondContact CB-O 3.44Å; N235-W257 PolarHBondContact N-O 2.98Å |
| 236 | E | 94.7 | Very high | 89.2 | Confident | 179 Ų | 179 | 75 Ų | 75 | 84% | 0.836 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 118 | 177.7 | -174.5 | 175.2 | -176.8 | 0 | 0 | 110.1 | ||
| 237 | G | 91.6 | Very high | 89.3 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.2 | -7.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N235 | N235-G237 PolarHBondContact O-N 3.04Å; N235-G237 VanDerWaalsContact O-N 3.14Å |
| 238 | E | 93.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | trans | -103 | 155.8 | -176.9 | -51.5 | -55 | 162.4 | 0 | 0 | 112.8 | W234 N235 S240 N258 | W234-E238 HydrophobicContact CB-CB 4.33Å; W234-E238 WeakPolarHBondContact CB-O 3.34Å; W234-E238 HydrophobicContact CE3-CB 4.07Å; N235-E238 HydrophobicContact CB-CB 4.43Å; N235-E238 HydrophobicContact CB-CG 3.76Å; N235-E238 PolarHBondContact O-N 3.36Å; N235-E238 VanDerWaalsContact O-N 3.09Å; E238-S240 WeakPolarHBondContact OE2-CB 3.49Å; E238-S240 PolarHBondContact OE2-N 3.11Å; E238-S240 PolarHBondContact OE2-OG 3.26Å; E238-N258 VanDerWaalsContact CD-OD1 3.28Å; E238-N258 WeakPolarHBondContact CG-OD1 3.45Å; E238-N258 PolarHBondContact OE1-OD1 3.19Å; E238-N258 VanDerWaalsContact OE1-OD1 3.11Å | ||
| 239 | P | 90.1 | Very high | 89.7 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | S | Bend | cis | -72.6 | 135.7 | -6.3 | 29.8 | -32.3 | 0 | 0 | 0 | 111.9 | Y220 W234 D259 | Y220-P239 HydrophobicContact CD2-CG 4.39Å; Y220-P239 HydrophobicContact CE2-CB 3.82Å; Y220-P239 HydrophobicContact CE2-CG 3.59Å; Y220-P239 VanDerWaalsContact OH-CB 3.25Å; Y220-P239 WeakPolarHBondContact OH-CB 3.47Å; W234-P239 HydrophobicContact CD2-CG 4.49Å; W234-P239 HydrophobicContact CE3-CB 4.39Å; W234-P239 HydrophobicContact CH2-CB 4.14Å; W234-P239 HydrophobicContact CH2-CG 4.45Å; W234-P239 HydrophobicContact CZ2-CB 4.4Å; W234-P239 HydrophobicContact CZ2-CG 4.21Å; W234-P239 HydrophobicContact CZ3-CB 4.14Å; P239-D259 VanDerWaalsContact CA-OD1 3.29Å; P239-D259 WeakPolarHBondContact CA-OD1 3.25Å; P239-D259 HydrophobicContact CB-CB 4.12Å; P239-D259 WeakPolarHBondContact CB-OD2 3.34Å |
| 240 | S | 87.6 | Confident | 90.5 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -103.7 | -16.3 | -173.2 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | E238 D259 | E238-S240 WeakPolarHBondContact OE2-CB 3.49Å; E238-S240 PolarHBondContact OE2-N 3.11Å; E238-S240 PolarHBondContact OE2-OG 3.26Å; S240-D259 PolarHBondContact N-OD1 2.95Å; S240-D259 PolarHBondContact N-OD2 3.1Å | ||
| 241 | D | 84.1 | Confident | 91.3 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | trans | 31.7 | 62.1 | -176.8 | -178.7 | 37.2 | 0 | 0 | 0 | 113.3 | Y243 G244 H245 E246 D259 | D241-Y243 PolarHBondContact O-N 3.25Å; D241-G244 PolarHBondContact O-N 2.95Å; D241-G244 VanDerWaalsContact OD1-C 3.26Å; D241-G244 WeakPolarHBondContact OD1-CA 3.36Å; D241-G244 PolarHBondContact OD1-N 3.04Å; D241-G244 WeakPolarHBondContact OD2-CA 3.16Å; D241-H245 PolarHBondContact OD1-N 3.34Å; D241-E246 PolarHBondContact OD1-N 3.25Å; D241-D259 WeakPolarHBondContact CA-OD2 3.38Å; D241-D259 PolarHBondContact N-OD2 2.8Å | ||
| 242 | P | 71.5 | Confident | 91.5 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 114.4 | 176.7 | 28.4 | -33.1 | 0 | 0 | 0 | 108.4 | G244 E246 | P242-G244 PolarHBondContact O-N 3.4Å; P242-E246 VanDerWaalsContact CD-CD 3.48Å; P242-E246 WeakPolarHBondContact CD-OE2 3.4Å; P242-E246 VanDerWaalsContact CG-CD 3.43Å; P242-E246 HydrophobicContact CG-CG 3.95Å; P242-E246 VanDerWaalsContact CG-OE2 3.3Å; P242-E246 WeakPolarHBondContact CG-OE2 3.43Å |
| 243 | Y | 76.7 | Confident | 91.6 | Very high | 215 Ų | 215 | 55.2 Ų | 55.2 | 84% | 0.843 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 5.1 | 175.5 | -43.6 | -80.8 | 0 | 0 | 0 | 117.2 | D241 | D241-Y243 PolarHBondContact O-N 3.25Š|
| 244 | G | 82.7 | Confident | 91.6 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 84.5 | 25.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D241 P242 | D241-G244 PolarHBondContact O-N 2.95Å; D241-G244 VanDerWaalsContact OD1-C 3.26Å; D241-G244 WeakPolarHBondContact OD1-CA 3.36Å; D241-G244 PolarHBondContact OD1-N 3.04Å; D241-G244 WeakPolarHBondContact OD2-CA 3.16Å; P242-G244 PolarHBondContact O-N 3.4Å |
| 245 | H | 87.8 | Confident | 91.6 | Very high | 126 Ų | 126 | 55.8 Ų | 55.8 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | trans | -135.7 | 4.9 | -168.2 | -60.7 | -30.2 | 0 | 0 | 0 | 113.8 | D241 D247 | D241-H245 PolarHBondContact OD1-N 3.34Å; H245-D247 PolarHBondContact O-N 2.88Å | ||
| 246 | E | 92.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | trans | -99.8 | 60.6 | -176.9 | -65.6 | -150.6 | 139.8 | 0 | 0 | 112.5 | D241 P242 C248 D259 T260 E261 | D241-E246 PolarHBondContact OD1-N 3.25Å; P242-E246 VanDerWaalsContact CD-CD 3.48Å; P242-E246 WeakPolarHBondContact CD-OE2 3.4Å; P242-E246 VanDerWaalsContact CG-CD 3.43Å; P242-E246 HydrophobicContact CG-CG 3.95Å; P242-E246 VanDerWaalsContact CG-OE2 3.3Å; P242-E246 WeakPolarHBondContact CG-OE2 3.43Å; E246-C248 VanDerWaalsContact C-N 3.25Å; E246-C248 PolarHBondContact O-N 2.93Å; E246-D259 HydrophobicContact CB-CB 4.13Å; E246-T260 CarbonylContact C-O 3.49Å; E246-E261 HydrophobicContact CG-CG 4.24Å | ||
| 247 | D | 95.6 | Very high | 91.8 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | trans | -78.9 | 0.6 | -172.6 | -48.1 | -58.4 | 0 | 0 | 0 | 115.4 | N212 D213 L214 H245 | N212-D247 VanDerWaalsContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CA-O 3.23Å; N212-D247 WeakPolarHBondContact CB-O 3.45Å; D213-D247 PolarHBondContact N-O 3.37Å; D213-D247 VanDerWaalsContact N-O 3.11Å; D213-D247 WeakPolarHBondContact OD1-CA 3.44Å; L214-D247 HydrophobicContact CD2-CB 3.62Å; L214-D247 HydrophobicContact CG-CB 3.98Å; H245-D247 PolarHBondContact O-N 2.88Å | ||
| 248 | C | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.1 | -170.2 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | Y169 F208 E246 D259 T260 C262 | Y169-C248 WeakPolarHBondContact CB-SG 3.44Å; Y169-C248 HydrophobicContact CD1-CB 4.49Å; Y169-C248 WeakPolarHBondContact CD1-SG 3.24Å; Y169-C248 HydrophobicContact CD2-CB 3.75Å; Y169-C248 VanDerWaalsContact CD2-SG 3.59Å; Y169-C248 HydrophobicContact CE2-CB 4.08Å; Y169-C248 HydrophobicContact CG-CB 3.97Å; F208-C248 HydrophobicContact CE1-CB 4.36Å; E246-C248 VanDerWaalsContact C-N 3.25Å; E246-C248 PolarHBondContact O-N 2.93Å; C248-D259 CarbonylContact O-C 3.59Å; C248-D259 VanDerWaalsContact O-CA 3.29Å; C248-D259 WeakPolarHBondContact O-CA 3.27Å; C248-T260 WeakPolarHBondContact CB-O 3.42Å; C248-T260 PolarHBondContact N-O 2.86Å; C248-T260 PolarHBondContact O-N 3Å; C248-C262 HydrophobicContact CB-CB 3.96Å; C248-C262 WeakPolarHBondContact CB-SG 3.3Å; C248-C262 PolarHBondContact N-SG 2.9Å; C248-C262 WeakPolarHBondContact SG-CA 3.18Å; C248-C262 WeakPolarHBondContact SG-CB 3.12Å; C248-C262 CovalentContact SG-SG 2.02Å; C248-C262 PolarHBondContact SG-SG 2.77Å |
| 249 | V | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.5 | -174.1 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | I209 V211 Y220 W234 W257 N258 | I209-V249 HydrophobicContact CD1-CB 4.46Å; I209-V249 HydrophobicContact CD1-CG1 3.74Å; I209-V249 HydrophobicContact CG1-CB 4.1Å; I209-V249 HydrophobicContact CG1-CG1 3.84Å; I209-V249 PolarHBondContact N-O 2.73Å; I209-V249 VanDerWaalsContact N-O 3.13Å; V211-V249 HydrophobicContact CB-CB 3.89Å; V211-V249 HydrophobicContact CB-CG1 4.34Å; V211-V249 HydrophobicContact CB-CG2 3.78Å; V211-V249 HydrophobicContact CG1-CB 4.45Å; V211-V249 HydrophobicContact CG1-CG2 3.82Å; V211-V249 WeakPolarHBondContact O-CB 3.29Å; V211-V249 WeakPolarHBondContact O-CG2 3.4Å; V211-V249 PolarHBondContact O-N 3.42Å; Y220-V249 HydrophobicContact CD1-CG2 3.92Å; Y220-V249 HydrophobicContact CE1-CG2 3.71Å; W234-V249 HydrophobicContact CH2-CG1 4.12Å; W234-V249 HydrophobicContact CH2-CG2 3.57Å; W234-V249 HydrophobicContact CZ3-CG1 3.94Å; W234-V249 HydrophobicContact CZ3-CG2 4.07Å; V249-W257 HydrophobicContact CG1-CB 3.87Å; V249-W257 HydrophobicContact CG1-CG 4.34Å; V249-N258 WeakPolarHBondContact CA-O 3.35Å |
| 250 | E | 97.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 147.6 | 166.6 | 65.2 | 172.4 | -135.2 | 0 | 0 | 111.9 | R206 V207 W257 N258 T260 M266 | R206-E250 WeakPolarHBondContact CD-OE1 3.39Å; R206-E250 WeakPolarHBondContact CD-OE2 3.22Å; R206-E250 IonicContact CZ-OE2 3.72Å; R206-E250 IonicContact NE-OE2 3.82Å; R206-E250 IonicContact NH1-OE1 3.51Å; R206-E250 IonicContact NH1-OE2 3.04Å; R206-E250 PolarHBondContact NH1-OE2 3.21Å; V207-E250 CarbonylContact O-C 3.17Å; V207-E250 VanDerWaalsContact O-CA 3.29Å; V207-E250 WeakPolarHBondContact O-CA 3.46Å; E250-W257 WeakPolarHBondContact O-CA 3.42Å; E250-N258 HydrophobicContact CG-CB 3.82Å; E250-N258 PolarHBondContact N-O 3.36Å; E250-N258 PolarHBondContact O-N 2.96Å; E250-T260 HydrophobicContact CB-CG2 4.29Å; E250-T260 HydrophobicContact CG-CG2 4.2Å; E250-M266 HydrophobicContact CB-CE 4.36Å; E250-M266 HydrophobicContact CB-SD 3.85Å; E250-M266 WeakPolarHBondContact OE2-CE 3.41Å |
| 251 | M | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.9 | 170.5 | 177.4 | -175.1 | -75.8 | 0 | 0 | 109.3 | P186 N192 I195 A196 R206 V207 I209 | P186-M251 HydrophobicContact CB-CE 4.27Å; P186-M251 HydrophobicContact CG-CE 3.98Å; N192-M251 VanDerWaalsContact OD1-CE 3.27Å; N192-M251 WeakPolarHBondContact OD1-CE 3.4Å; I195-M251 HydrophobicContact CB-CE 4.28Å; I195-M251 HydrophobicContact CB-SD 4.05Å; I195-M251 HydrophobicContact CG2-CE 4.11Å; I195-M251 HydrophobicContact CG2-SD 3.55Å; I195-M251 VanDerWaalsContact CG2-SD 3.55Å; A196-M251 HydrophobicContact CB-SD 4.37Å; R206-M251 CarbonylContact C-O 3.46Å; R206-M251 VanDerWaalsContact CA-O 3.25Å; R206-M251 WeakPolarHBondContact CA-O 3.29Å; V207-M251 HydrophobicContact CG2-CB 4.22Å; V207-M251 PolarHBondContact N-O 2.89Å; V207-M251 PolarHBondContact O-N 2.83Å; I209-M251 HydrophobicContact CD1-CB 4.27Å; I209-M251 HydrophobicContact CD1-CE 4.37Å; I209-M251 HydrophobicContact CG2-CB 3.55Å; I209-M251 HydrophobicContact CG2-CE 4.08Å; I209-M251 HydrophobicContact CG2-SD 4.39Å |
| 252 | L | 97.6 | Very high | 93.4 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 162.5 | 174 | -57.4 | 179 | 0 | 0 | 0 | 111.4 | F205 R206 S254 G255 R256 | F205-L252 CarbonylContact O-C 3.56Å; F205-L252 WeakPolarHBondContact O-CA 3.49Å; R206-L252 HydrophobicContact CB-CD2 3.99Å; L252-S254 PolarHBondContact O-N 2.82Å; L252-S254 VanDerWaalsContact O-N 3.1Å; L252-G255 WeakPolarHBondContact O-CA 3.17Å; L252-G255 PolarHBondContact O-N 3.14Å; L252-R256 PolarHBondContact N-O 3.04Å |
| 253 | S | 96 | Very high | 94.6 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.6 | 175 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | F204 F205 | F204-S253 WeakPolarHBondContact O-CB 3.16Å; F205-S253 PolarHBondContact O-N 2.87Å |
| 254 | S | 96.5 | Very high | 95.6 | Very high | 80 Ų | 80 | 39.8 Ų | 39.8 | 56% | 0.559 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -11.3 | 170 | 62 | 0 | 0 | 0 | 0 | 113.2 | L252 R256 | L252-S254 PolarHBondContact O-N 2.82Å; L252-S254 VanDerWaalsContact O-N 3.1Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact OG-N 3.33Å |
| 255 | G | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 85.9 | -8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N233 L252 W257 | N233-G255 VanDerWaalsContact ND2-C 3.26Å; N233-G255 PolarHBondContact ND2-O 3.05Å; L252-G255 WeakPolarHBondContact O-CA 3.17Å; L252-G255 PolarHBondContact O-N 3.14Å; G255-W257 VanDerWaalsContact O-CD1 3.26Å; G255-W257 PolarHBondContact O-NE1 3.44Å |
| 256 | R | 98.1 | Very high | 96.8 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 41% | 0.408 | 19% | 0.193 | S | C | . | . | trans | -71.5 | 148.2 | 177.2 | -65 | -60.3 | -172.1 | 117.8 | 5.3 | 111.5 | N233 W234 N235 L252 S254 | N233-R256 CarbonylContact O-C 3.53Å; N233-R256 VanDerWaalsContact O-CA 3.3Å; N233-R256 WeakPolarHBondContact O-CA 3.28Å; W234-R256 PolarHBondContact O-NH1 3.1Å; N235-R256 HydrophobicContact CB-CB 3.92Å; L252-R256 PolarHBondContact N-O 3.04Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact OG-N 3.33Å | ||
| 257 | W | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 145.8 | -177.8 | -53.4 | -9.2 | 0 | 0 | 0 | 111.1 | P186 N192 I209 V211 L228 Y231 N233 W234 N235 V249 E250 G255 | P186-W257 HydrophobicContact CB-CZ2 3.86Å; P186-W257 HydrophobicContact CG-CH2 3.97Å; P186-W257 HydrophobicContact CG-CZ2 3.32Å; N192-W257 PolarHBondContact OD1-NE1 3.48Å; I209-W257 HydrophobicContact CD1-CD2 3.92Å; I209-W257 HydrophobicContact CD1-CG 4Å; V211-W257 HydrophobicContact CG2-CZ3 4.39Å; L228-W257 HydrophobicContact CD1-CH2 4.38Å; L228-W257 HydrophobicContact CD1-CZ3 3.98Å; Y231-W257 HydrophobicContact CD1-CH2 4.14Å; Y231-W257 HydrophobicContact CD1-CZ2 4.32Å; Y231-W257 HydrophobicContact CE1-CH2 4.1Å; Y231-W257 AromaticContact CE1-CZ2 3.83Å; Y231-W257 HydrophobicContact CE1-CZ2 3.83Å; N233-W257 HydrophobicContact CB-CD2 4.15Å; N233-W257 HydrophobicContact CB-CG 4.39Å; N233-W257 HydrophobicContact CB-CZ2 4.01Å; N233-W257 PolarHBondContact O-N 2.92Å; W234-W257 HydrophobicContact CD2-CB 4.34Å; W234-W257 HydrophobicContact CD2-CE3 4.36Å; W234-W257 HydrophobicContact CE3-CB 3.69Å; W234-W257 HydrophobicContact CZ2-CE3 4.47Å; W234-W257 HydrophobicContact CZ3-CB 4.01Å; N235-W257 WeakPolarHBondContact CB-O 3.44Å; N235-W257 PolarHBondContact N-O 2.98Å; V249-W257 HydrophobicContact CG1-CB 3.87Å; V249-W257 HydrophobicContact CG1-CG 4.34Å; E250-W257 WeakPolarHBondContact O-CA 3.42Å; G255-W257 VanDerWaalsContact O-CD1 3.26Å; G255-W257 PolarHBondContact O-NE1 3.44Å |
| 258 | N | 96.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132.5 | 174.5 | -151.2 | 83.9 | 0 | 0 | 0 | 107.4 | E238 V249 E250 | E238-N258 VanDerWaalsContact CD-OD1 3.28Å; E238-N258 WeakPolarHBondContact CG-OD1 3.45Å; E238-N258 PolarHBondContact OE1-OD1 3.19Å; E238-N258 VanDerWaalsContact OE1-OD1 3.11Å; V249-N258 WeakPolarHBondContact CA-O 3.35Å; E250-N258 HydrophobicContact CG-CB 3.82Å; E250-N258 PolarHBondContact N-O 3.36Å; E250-N258 PolarHBondContact O-N 2.96Å |
| 259 | D | 95.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 151.7 | 161.2 | 52.8 | -34.7 | 0 | 0 | 0 | 109.7 | Y220 W234 P239 S240 D241 E246 C248 | Y220-D259 WeakPolarHBondContact OH-CB 3.31Å; W234-D259 HydrophobicContact CZ3-CB 4.43Å; P239-D259 VanDerWaalsContact CA-OD1 3.29Å; P239-D259 WeakPolarHBondContact CA-OD1 3.25Å; P239-D259 HydrophobicContact CB-CB 4.12Å; P239-D259 WeakPolarHBondContact CB-OD2 3.34Å; S240-D259 PolarHBondContact N-OD1 2.95Å; S240-D259 PolarHBondContact N-OD2 3.1Å; D241-D259 WeakPolarHBondContact CA-OD2 3.38Å; D241-D259 PolarHBondContact N-OD2 2.8Å; E246-D259 HydrophobicContact CB-CB 4.13Å; C248-D259 CarbonylContact O-C 3.59Å; C248-D259 VanDerWaalsContact O-CA 3.29Å; C248-D259 WeakPolarHBondContact O-CA 3.27Å |
| 260 | T | 95.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 157.3 | -173.7 | -158.6 | 0 | 0 | 0 | 0 | 111.2 | F208 E246 C248 E250 C262 L264 M266 | F208-T260 HydrophobicContact CE1-CG2 3.74Å; E246-T260 CarbonylContact C-O 3.49Å; C248-T260 WeakPolarHBondContact CB-O 3.42Å; C248-T260 PolarHBondContact N-O 2.86Å; C248-T260 PolarHBondContact O-N 3Å; E250-T260 HydrophobicContact CB-CG2 4.29Å; E250-T260 HydrophobicContact CG-CG2 4.2Å; T260-C262 PolarHBondContact O-N 2.7Å; T260-L264 WeakPolarHBondContact OG1-CD1 3.37Å; T260-M266 HydrophobicContact CG2-CE 4.22Å |
| 261 | E | 96.1 | Very high | 97.2 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | trans | -59.7 | 122.5 | 175.5 | -64.3 | 169.5 | -173.3 | 0 | 0 | 112 | E246 H263 L264 | E246-E261 HydrophobicContact CG-CG 4.24Å; E261-H263 PolarHBondContact O-N 3.02Å; E261-H263 IonicContact OE2-CE1 2.7Å; E261-H263 PolarHBondContact OE2-CE1 3.2Å; E261-H263 IonicContact OE2-ND1 2.75Å; E261-H263 IonicContact OE2-NE2 2.79Å; E261-H263 PolarHBondContact OE2-NE2 2.85Å; E261-L264 HydrophobicContact CB-CD1 4.11Å; E261-L264 HydrophobicContact CB-CG 4.01Å; E261-L264 WeakPolarHBondContact O-CB 3.23Å; E261-L264 PolarHBondContact O-N 2.88Å; E261-L264 VanDerWaalsContact O-N 3.11Å | ||
| 262 | C | 96.8 | Very high | 97 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.9 | -176.4 | -64.9 | 0 | 0 | 0 | 0 | 115.6 | Y169 C248 T260 | Y169-C262 WeakPolarHBondContact CB-O 3.03Å; Y169-C262 PolarHBondContact N-O 2.79Å; Y169-C262 VanDerWaalsContact N-O 3.09Å; C248-C262 HydrophobicContact CB-CB 3.96Å; C248-C262 WeakPolarHBondContact CB-SG 3.3Å; C248-C262 PolarHBondContact N-SG 2.9Å; C248-C262 WeakPolarHBondContact SG-CA 3.18Å; C248-C262 WeakPolarHBondContact SG-CB 3.12Å; C248-C262 CovalentContact SG-SG 2.02Å; C248-C262 PolarHBondContact SG-SG 2.77Å; T260-C262 PolarHBondContact O-N 2.7Å |
| 263 | H | 96.5 | Very high | 96.8 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 60% | 0.597 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -13.5 | -179.3 | 64.7 | 65.7 | 0 | 0 | 0 | 113.3 | E261 | E261-H263 PolarHBondContact O-N 3.02Å; E261-H263 IonicContact OE2-CE1 2.7Å; E261-H263 PolarHBondContact OE2-CE1 3.2Å; E261-H263 IonicContact OE2-ND1 2.75Å; E261-H263 IonicContact OE2-NE2 2.79Å; E261-H263 PolarHBondContact OE2-NE2 2.85Å |
| 264 | L | 96.7 | Very high | 96.6 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | trans | -62 | 144 | 174.7 | -65.4 | 175.9 | 0 | 0 | 0 | 110.1 | N168 F208 T260 E261 M266 | N168-L264 WeakPolarHBondContact CA-O 3.41Å; F208-L264 VanDerWaalsContact CE2-O 3.29Å; F208-L264 WeakPolarHBondContact CE2-O 3.33Å; F208-L264 VanDerWaalsContact CZ-O 3.29Å; F208-L264 WeakPolarHBondContact CZ-O 3.37Å; T260-L264 WeakPolarHBondContact OG1-CD1 3.37Å; E261-L264 HydrophobicContact CB-CD1 4.11Å; E261-L264 HydrophobicContact CB-CG 4.01Å; E261-L264 WeakPolarHBondContact O-CB 3.23Å; E261-L264 PolarHBondContact O-N 2.88Å; E261-L264 VanDerWaalsContact O-N 3.11Å; L264-M266 HydrophobicContact CB-CE 4.26Å | ||
| 265 | T | 97.9 | Very high | 96 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | trans | -102.2 | 128 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 110 | K167 N168 | K167-T265 WeakPolarHBondContact O-CA 3.29Å; N168-T265 HydrophobicContact CB-CG2 4.42Å | ||
| 266 | M | 97.4 | Very high | 95 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 174.7 | 174.6 | 62.4 | -174.9 | 80.1 | 0 | 0 | 110.5 | E166 K167 F208 E250 T260 L264 | E166-M266 WeakPolarHBondContact CA-O 3.47Å; K167-M266 PolarHBondContact N-O 2.79Å; K167-M266 VanDerWaalsContact N-O 3.12Å; K167-M266 PolarHBondContact O-N 3.43Å; K167-M266 VanDerWaalsContact O-N 3.17Å; F208-M266 HydrophobicContact CD1-CE 4.17Å; F208-M266 HydrophobicContact CD1-CG 4.22Å; F208-M266 HydrophobicContact CD1-SD 3.79Å; F208-M266 HydrophobicContact CD2-CG 3.36Å; F208-M266 HydrophobicContact CD2-SD 4.05Å; F208-M266 HydrophobicContact CE1-CE 3.63Å; F208-M266 HydrophobicContact CE1-CG 4.31Å; F208-M266 HydrophobicContact CE1-SD 3.89Å; F208-M266 HydrophobicContact CE2-CE 4.11Å; F208-M266 HydrophobicContact CE2-CG 3.46Å; F208-M266 VanDerWaalsContact CE2-CG 3.46Å; F208-M266 HydrophobicContact CE2-SD 4.14Å; F208-M266 HydrophobicContact CG-CG 3.77Å; F208-M266 HydrophobicContact CG-SD 3.87Å; F208-M266 HydrophobicContact CZ-CE 3.59Å; F208-M266 HydrophobicContact CZ-CG 3.95Å; F208-M266 HydrophobicContact CZ-SD 4.07Å; E250-M266 HydrophobicContact CB-CE 4.36Å; E250-M266 HydrophobicContact CB-SD 3.85Å; E250-M266 WeakPolarHBondContact OE2-CE 3.41Å; T260-M266 HydrophobicContact CG2-CE 4.22Å; L264-M266 HydrophobicContact CB-CE 4.26Å |
| 267 | Y | 97.9 | Very high | 93 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 160.4 | 170.6 | -57.5 | -58.3 | 0 | 0 | 0 | 111 | V163 Q164 E166 F204 V207 F208 | V163-Y267 WeakPolarHBondContact O-CD1 3.46Å; Q164-Y267 VanDerWaalsContact C-CD1 3.49Å; Q164-Y267 HydrophobicContact CB-CE1 4.41Å; E166-Y267 HydrophobicContact CG-CD1 4.11Å; E166-Y267 HydrophobicContact CG-CE1 3.73Å; E166-Y267 HydrophobicContact CG-CE2 4.42Å; F204-Y267 AromaticContact CD1-CD2 3.39Å; F204-Y267 HydrophobicContact CD1-CD2 3.39Å; F204-Y267 AromaticContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CE2 3.81Å; F204-Y267 HydrophobicContact CD1-CG 4.17Å; F204-Y267 AromaticContact CE1-CD2 3.49Å; F204-Y267 HydrophobicContact CE1-CD2 3.49Å; F204-Y267 VanDerWaalsContact CE1-CD2 3.49Å; F204-Y267 AromaticContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CE2 3.62Å; F204-Y267 HydrophobicContact CE1-CG 4.04Å; F204-Y267 HydrophobicContact CG-CD2 4.43Å; V207-Y267 CarbonylContact C-O 3.5Å; V207-Y267 WeakPolarHBondContact CA-O 3.41Å; V207-Y267 WeakPolarHBondContact CB-O 2.94Å; F208-Y267 PolarHBondContact N-O 2.81Å |
| 268 | F | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 155.7 | -174.3 | 58.9 | -85.5 | 0 | 0 | 0 | 111.6 | V163 E165 K167 S172 H175 L183 F208 | V163-F268 HydrophobicContact CB-CD1 4.23Å; V163-F268 HydrophobicContact CB-CD2 4.05Å; V163-F268 HydrophobicContact CB-CE1 3.83Å; V163-F268 HydrophobicContact CB-CE2 3.66Å; V163-F268 HydrophobicContact CB-CG 4.33Å; V163-F268 HydrophobicContact CB-CZ 3.54Å; V163-F268 HydrophobicContact CG1-CE1 3.77Å; V163-F268 HydrophobicContact CG1-CE2 4.08Å; V163-F268 HydrophobicContact CG1-CZ 3.47Å; V163-F268 VanDerWaalsContact CG1-CZ 3.47Å; V163-F268 HydrophobicContact CG2-CD2 4Å; V163-F268 HydrophobicContact CG2-CE2 3.49Å; V163-F268 VanDerWaalsContact CG2-CE2 3.49Å; V163-F268 HydrophobicContact CG2-CZ 3.82Å; V163-F268 PolarHBondContact N-O 2.71Å; E165-F268 WeakPolarHBondContact O-CE1 3.41Å; K167-F268 HydrophobicContact CB-CD1 4.42Å; K167-F268 HydrophobicContact CB-CE1 3.93Å; K167-F268 HydrophobicContact CD-CE1 3.87Å; K167-F268 HydrophobicContact CD-CZ 4.05Å; K167-F268 HydrophobicContact CG-CE1 3.95Å; S172-F268 VanDerWaalsContact OG-CD1 3.25Å; S172-F268 WeakPolarHBondContact OG-CD1 3.33Å; H175-F268 HydrophobicContact CB-CE2 3.89Å; H175-F268 HydrophobicContact CB-CZ 3.7Å; H175-F268 AromaticContact CG-CE2 3.87Å; H175-F268 AromaticContact CG-CZ 3.53Å; H175-F268 AromaticContact ND1-CE2 3.49Å; H175-F268 WeakPolarHBondContact ND1-CE2 3.4Å; H175-F268 AromaticContact ND1-CZ 3.43Å; H175-F268 WeakPolarHBondContact ND1-CZ 3.47Å; L183-F268 HydrophobicContact CD2-CB 3.89Å; L183-F268 HydrophobicContact CD2-CD2 3.78Å; L183-F268 HydrophobicContact CD2-CG 4.23Å; F208-F268 HydrophobicContact CB-CB 3.82Å |
| 269 | V | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.5 | -179.7 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | I162 L183 A184 I195 V199 V207 F208 | I162-V269 HydrophobicContact CG1-CG1 4.46Å; I162-V269 HydrophobicContact CG1-CG2 4.05Å; L183-V269 CarbonylContact C-O 3.48Å; L183-V269 WeakPolarHBondContact CA-O 3.42Å; A184-V269 HydrophobicContact CB-CB 3.81Å; A184-V269 HydrophobicContact CB-CG1 3.8Å; A184-V269 PolarHBondContact N-O 3.49Å; I195-V269 HydrophobicContact CG2-CG1 4.31Å; I195-V269 HydrophobicContact CG2-CG2 4.13Å; V199-V269 HydrophobicContact CG2-CG2 4.25Å; V207-V269 HydrophobicContact CB-CG2 4.08Å; V207-V269 HydrophobicContact CG1-CG2 4.45Å; V207-V269 HydrophobicContact CG2-CG2 3.61Å; F208-V269 PolarHBondContact O-N 2.85Å |
| 270 | C | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.1 | 167.8 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | Y160 Y161 C176 M182 F272 | Y160-C270 VanDerWaalsContact CA-O 3.31Å; Y160-C270 WeakPolarHBondContact CA-O 3.27Å; Y161-C270 PolarHBondContact N-O 2.77Å; Y161-C270 PolarHBondContact O-N 3.31Å; C176-C270 VanDerWaalsContact CA-SG 3.52Å; C176-C270 HydrophobicContact CB-CB 3.84Å; C176-C270 WeakPolarHBondContact CB-SG 3.08Å; C176-C270 WeakPolarHBondContact SG-CA 3.25Å; C176-C270 WeakPolarHBondContact SG-CB 3.31Å; C176-C270 CovalentContact SG-SG 2.04Å; C176-C270 PolarHBondContact SG-SG 2.91Å; M182-C270 CarbonylContact O-C 3.3Å; M182-C270 VanDerWaalsContact O-CA 3.28Å; M182-C270 WeakPolarHBondContact O-CA 3.29Å; C270-F272 HydrophobicContact CB-CD2 4.38Å; C270-F272 HydrophobicContact CB-CE2 3.52Å; C270-F272 HydrophobicContact CB-CZ 3.9Å |
| 271 | E | 96.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 77.4 Ų | 77.4 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.4 | 170.5 | 173.9 | -175.8 | 138.7 | 0 | 0 | 110.3 | K158 Y160 G181 M182 A184 M185 | K158-E271 HydrophobicContact CB-CG 4.49Å; K158-E271 HydrophobicContact CD-CG 4.08Å; K158-E271 VanDerWaalsContact CD-OE1 3.23Å; K158-E271 WeakPolarHBondContact CD-OE1 3.31Å; K158-E271 WeakPolarHBondContact CE-OE1 3.39Å; K158-E271 IonicContact NZ-OE1 3.83Å; K158-E271 PolarHBondContact NZ-OE1 3.11Å; K158-E271 IonicContact NZ-OE2 2.84Å; Y160-E271 HydrophobicContact CD1-CB 3.88Å; Y160-E271 HydrophobicContact CD1-CG 4.14Å; Y160-E271 HydrophobicContact CE1-CB 3.82Å; Y160-E271 HydrophobicContact CE1-CG 3.68Å; Y160-E271 WeakPolarHBondContact CE1-OE2 3.33Å; G181-E271 CarbonylContact C-O 3.49Å; G181-E271 WeakPolarHBondContact CA-O 3.35Å; M182-E271 PolarHBondContact N-O 2.67Å; M182-E271 PolarHBondContact O-N 3Å; A184-E271 HydrophobicContact CB-CB 4.17Å; M185-E271 PolarHBondContact N-OE2 3.34Å |
| 272 | F | 95.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 77.9 Ų | 77.9 | 9% | 0.088 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 136.2 | 178.5 | -59.7 | -94.3 | 0 | 0 | 0 | 110.6 | K158 F159 R179 C270 | K158-F272 CarbonylContact C-O 3.53Å; K158-F272 WeakPolarHBondContact CA-O 3.14Å; F159-F272 HydrophobicContact CD1-CB 3.72Å; F159-F272 HydrophobicContact CD2-CB 3.92Å; F159-F272 AromaticContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CD2 3.64Å; F159-F272 HydrophobicContact CD2-CG 4.07Å; F159-F272 HydrophobicContact CE1-CB 3.26Å; F159-F272 HydrophobicContact CE1-CG 4.03Å; F159-F272 HydrophobicContact CE2-CB 3.49Å; F159-F272 VanDerWaalsContact CE2-CB 3.49Å; F159-F272 HydrophobicContact CE2-CD1 4.22Å; F159-F272 AromaticContact CE2-CD2 3.17Å; F159-F272 HydrophobicContact CE2-CD2 3.17Å; F159-F272 AromaticContact CE2-CE2 3.9Å; F159-F272 HydrophobicContact CE2-CE2 3.9Å; F159-F272 AromaticContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CE2-CG 3.37Å; F159-F272 HydrophobicContact CG-CB 4.04Å; F159-F272 HydrophobicContact CZ-CB 3.14Å; F159-F272 AromaticContact CZ-CD1 3.98Å; F159-F272 HydrophobicContact CZ-CD1 3.98Å; F159-F272 AromaticContact CZ-CD2 3.72Å; F159-F272 HydrophobicContact CZ-CD2 3.72Å; F159-F272 AromaticContact CZ-CG 3.35Å; F159-F272 HydrophobicContact CZ-CG 3.35Å; F159-F272 PolarHBondContact N-O 3.11Å; F159-F272 PolarHBondContact O-N 3.07Å; R179-F272 HydrophobicContact CB-CE1 3.79Å; R179-F272 HydrophobicContact CB-CZ 4.08Å; R179-F272 WeakPolarHBondContact O-CE1 3.31Å; C270-F272 HydrophobicContact CB-CD2 4.38Å; C270-F272 HydrophobicContact CB-CE2 3.52Å; C270-F272 HydrophobicContact CB-CZ 3.9Å |
| 273 | I | 93.4 | Very high | 91.6 | Very high | 130 Ų | 130 | 81.3 Ų | 81.3 | 67% | 0.667 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 129.6 | 178.6 | -56.6 | 172.5 | 0 | 0 | 0 | 109.5 | K275 | I273-K275 PolarHBondContact O-N 3.09Å |
| 274 | K | 92.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 77.9 Ų | 77.9 | 27% | 0.27 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 122.9 | 172.8 | -67.8 | 179.2 | 167.8 | -170.6 | 0 | 109 | E154 T155 E156 E157 K158 F159 K276 | E154-K274 WeakPolarHBondContact OE2-CE 3.41Å; E154-K274 IonicContact OE2-NZ 3.44Å; E154-K274 PolarHBondContact OE2-NZ 3.44Å; T155-K274 VanDerWaalsContact O-CE 3.29Å; T155-K274 WeakPolarHBondContact O-CE 3.4Å; T155-K274 PolarHBondContact O-NZ 3.06Å; E156-K274 WeakPolarHBondContact O-CD 3.3Å; E157-K274 WeakPolarHBondContact O-CB 3.33Å; E157-K274 PolarHBondContact O-N 2.84Å; K158-K274 WeakPolarHBondContact O-CE 3.48Å; F159-K274 HydrophobicContact CD1-CG 4.21Å; K274-K276 PolarHBondContact O-N 3.14Å |
| 275 | K | 83.6 | Confident | 90.8 | Very high | 199 Ų | 199 | 79.6 Ų | 79.6 | 87% | 0.865 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 118.9 | 170.6 | -67.5 | -175.3 | 177.8 | -177.7 | 0 | 108.6 | I273 K277 | I273-K275 PolarHBondContact O-N 3.09Å; K275-K277 PolarHBondContact O-N 2.95Å |
| 276 | K | 76.3 | Confident | 90.2 | Very high | 183 Ų | 183 | 79.8 Ų | 79.8 | 80% | 0.796 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 127.5 | 169.2 | -72 | -175.1 | 177.5 | 178.6 | 0 | 107.6 | E157 K274 | E157-K276 IonicContact OE1-NZ 3.06Å; K274-K276 PolarHBondContact O-N 3.14Å |
| 277 | K | 55.5 | Low | 89.6 | Confident | 280 Ų | 280 | 86.3 Ų | 86.3 | 100% | 1.217 | 38% | 0.382 | S | S | * | . | trans | -77.3 | 0 | 176 | -82.1 | -172.2 | 175.7 | -176.4 | 0 | 110.7 | K275 | K275-K277 PolarHBondContact O-N 2.95Š|
Retrieved 277 of 277 residues in 73.1 ms
(Link to these results)