| 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 | G | 73.7 | Confident | 88.7 | Confident | 132 Ų | 132 | 120.5 Ų | 120.5 | 100% | 1.361 | 73% | 0.732 | S | S | * | * | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 2 | C | 84.8 | Confident | 89 | Confident | 124 Ų | 124 | 119.3 Ų | 119.3 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -118.4 | 145.3 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | A | 86.1 | Confident | 89.2 | Confident | 93 Ų | 93 | 111.1 Ų | 111.1 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -129 | 154.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | F | 90 | Very high | 89.5 | Confident | 173 Ų | 173 | 109.4 Ų | 109.4 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | -119.5 | 132.6 | 179.1 | -63.6 | -83 | 0 | 0 | 0 | 110 | A38 | F4-A38 HydrophobicContact CD1-CB 4.16Å; F4-A38 HydrophobicContact CE1-CB 4.16Å | ||
| 5 | V | 89.8 | Confident | 89.7 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 67% | 0.673 | 64% | 0.639 | S | S | * | * | trans | -124.6 | 125.5 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | F7 | V5-F7 HydrophobicContact CB-CE2 4.28Å; V5-F7 HydrophobicContact CG1-CD2 4.23Å; V5-F7 HydrophobicContact CG1-CE2 3.77Å; V5-F7 HydrophobicContact CG1-CZ 4.06Å | ||
| 6 | T | 91.1 | Very high | 89.8 | Confident | 143 Ų | 143 | 101.1 Ų | 101.1 | 88% | 0.877 | 61% | 0.607 | S | S | * | * | trans | -98.1 | 114.8 | 177.7 | -53.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | F | 90 | Very high | 90 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 32% | 0.32 | 58% | 0.582 | S | S | . | * | trans | -89.6 | 147.7 | 173.8 | -72.5 | -87.6 | 0 | 0 | 0 | 111.3 | V5 G9 M12 A13 A16 | V5-F7 HydrophobicContact CB-CE2 4.28Å; V5-F7 HydrophobicContact CG1-CD2 4.23Å; V5-F7 HydrophobicContact CG1-CE2 3.77Å; V5-F7 HydrophobicContact CG1-CZ 4.06Å; F7-G9 VanDerWaalsContact C-N 3.29Å; F7-G9 PolarHBondContact O-N 3.37Å; F7-M12 HydrophobicContact CD1-CB 4.07Å; F7-M12 HydrophobicContact CD1-CG 3.65Å; F7-M12 HydrophobicContact CD1-SD 3.79Å; F7-M12 HydrophobicContact CE1-CG 4.06Å; F7-M12 HydrophobicContact CE1-SD 4.35Å; F7-A13 HydrophobicContact CB-CB 4.05Å; F7-A13 HydrophobicContact CD2-CB 3.7Å; F7-A13 HydrophobicContact CE2-CB 4.41Å; F7-A13 HydrophobicContact CG-CB 3.96Å; F7-A16 HydrophobicContact CE1-CB 3.94Å; F7-A16 HydrophobicContact CE2-CB 4.05Å; F7-A16 HydrophobicContact CZ-CB 3.42Å; F7-A16 VanDerWaalsContact CZ-CB 3.42Å | ||
| 8 | T | 93.3 | Very high | 90 | Very high | 140 Ų | 140 | 102.4 Ų | 102.4 | 86% | 0.859 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -67.3 | -26 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 9 | G | 92.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 101.3 Ų | 101.3 | 34% | 0.34 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -144.9 | 144.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F7 Q11 M12 A13 | F7-G9 VanDerWaalsContact C-N 3.29Å; F7-G9 PolarHBondContact O-N 3.37Å; G9-Q11 VanDerWaalsContact C-N 3.3Å; G9-Q11 PolarHBondContact O-N 3.16Å; G9-M12 WeakPolarHBondContact O-CB 3.48Å; G9-M12 PolarHBondContact O-N 3.03Å; G9-M12 VanDerWaalsContact O-N 3.12Å; G9-A13 PolarHBondContact O-N 3.48Å |
| 10 | R | 90.3 | Very high | 89.8 | Confident | 179 Ų | 179 | 100.5 Ų | 100.5 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.4 | -37 | -176.3 | -171.1 | 174.3 | -174 | 162.1 | 1.7 | 113.3 | M12 A13 Q14 F37 | R10-M12 VanDerWaalsContact C-N 3.31Å; R10-M12 PolarHBondContact O-N 3Å; R10-A13 PolarHBondContact O-N 2.88Å; R10-Q14 WeakPolarHBondContact O-CG 2.99Å; R10-Q14 PolarHBondContact O-N 3.46Å; R10-F37 HydrophobicContact CG-CZ 4.47Å |
| 11 | Q | 94.1 | Very high | 89.7 | Confident | 125 Ų | 125 | 98.7 Ų | 98.7 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.6 | -34.2 | 178.9 | -55.3 | -45.6 | 96.6 | 0 | 0 | 112.4 | G9 Q14 S15 | G9-Q11 VanDerWaalsContact C-N 3.3Å; G9-Q11 PolarHBondContact O-N 3.16Å; Q11-Q14 PolarHBondContact O-N 2.96Å; Q11-S15 WeakPolarHBondContact O-CB 3.38Å; Q11-S15 PolarHBondContact O-N 2.82Å; Q11-S15 PolarHBondContact O-OG 3.02Å |
| 12 | M | 92.3 | Very high | 90.3 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.9 | -42.2 | 175.4 | -164.7 | -179.8 | -69 | 0 | 0 | 110.7 | F7 G9 R10 S15 A16 | F7-M12 HydrophobicContact CD1-CB 4.07Å; F7-M12 HydrophobicContact CD1-CG 3.65Å; F7-M12 HydrophobicContact CD1-SD 3.79Å; F7-M12 HydrophobicContact CE1-CG 4.06Å; F7-M12 HydrophobicContact CE1-SD 4.35Å; G9-M12 WeakPolarHBondContact O-CB 3.48Å; G9-M12 PolarHBondContact O-N 3.03Å; G9-M12 VanDerWaalsContact O-N 3.12Å; R10-M12 VanDerWaalsContact C-N 3.31Å; R10-M12 PolarHBondContact O-N 3Å; M12-S15 PolarHBondContact O-N 3.23Å; M12-A16 WeakPolarHBondContact O-CB 3.24Å; M12-A16 PolarHBondContact O-N 3.33Å |
| 13 | A | 91.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 95.8 Ų | 95.8 | 11% | 0.107 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F7 G9 R10 A16 I17 F37 | F7-A13 HydrophobicContact CB-CB 4.05Å; F7-A13 HydrophobicContact CD2-CB 3.7Å; F7-A13 HydrophobicContact CE2-CB 4.41Å; F7-A13 HydrophobicContact CG-CB 3.96Å; G9-A13 PolarHBondContact O-N 3.48Å; R10-A13 PolarHBondContact O-N 2.88Å; A13-A16 PolarHBondContact O-N 3.33Å; A13-I17 WeakPolarHBondContact O-CB 3.33Å; A13-I17 WeakPolarHBondContact O-CD1 3.36Å; A13-I17 VanDerWaalsContact O-CG1 3.28Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 2.98Å; A13-F37 HydrophobicContact CB-CE1 3.76Å; A13-F37 HydrophobicContact CB-CZ 4.2Å |
| 14 | Q | 93.3 | Very high | 89.8 | Confident | 87 Ų | 87 | 96.7 Ų | 96.7 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.8 | -73.3 | -176 | -37 | 0 | 0 | 111.9 | R10 Q11 I17 K18 F37 | R10-Q14 WeakPolarHBondContact O-CG 2.99Å; R10-Q14 PolarHBondContact O-N 3.46Å; Q11-Q14 PolarHBondContact O-N 2.96Å; Q14-I17 PolarHBondContact O-N 3.26Å; Q14-K18 WeakPolarHBondContact O-CB 3.48Å; Q14-K18 PolarHBondContact O-N 2.96Å; Q14-F37 HydrophobicContact CG-CE2 4.16Å; Q14-F37 HydrophobicContact CG-CZ 3.75Å |
| 15 | S | 92 | Very high | 89.3 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | Q11 M12 K18 S19 | Q11-S15 WeakPolarHBondContact O-CB 3.38Å; Q11-S15 PolarHBondContact O-N 2.82Å; Q11-S15 PolarHBondContact O-OG 3.02Å; M12-S15 PolarHBondContact O-N 3.23Å; S15-K18 PolarHBondContact O-N 3.4Å; S15-S19 WeakPolarHBondContact O-CB 3.41Å; S15-S19 PolarHBondContact O-N 2.85Å; S15-S19 PolarHBondContact O-OG 3.38Å |
| 16 | A | 91.7 | Very high | 88.9 | Confident | 16 Ų | 16 | 91.8 Ų | 91.8 | 13% | 0.132 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F7 M12 A13 S19 M20 | F7-A16 HydrophobicContact CE1-CB 3.94Å; F7-A16 HydrophobicContact CE2-CB 4.05Å; F7-A16 HydrophobicContact CZ-CB 3.42Å; F7-A16 VanDerWaalsContact CZ-CB 3.42Å; M12-A16 WeakPolarHBondContact O-CB 3.24Å; M12-A16 PolarHBondContact O-N 3.33Å; A13-A16 PolarHBondContact O-N 3.33Å; A16-S19 PolarHBondContact O-N 2.78Å; A16-M20 VanDerWaalsContact O-CB 3.31Å; A16-M20 WeakPolarHBondContact O-CB 3.34Å; A16-M20 PolarHBondContact O-N 2.93Å |
| 17 | I | 92.9 | Very high | 88.2 | Confident | 36 Ų | 36 | 94.6 Ų | 94.6 | 19% | 0.185 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -59.7 | -51 | 172.6 | -72.3 | 160.8 | 0 | 0 | 0 | 110.1 | A13 Q14 S19 M20 H21 V35 F37 | A13-I17 WeakPolarHBondContact O-CB 3.33Å; A13-I17 WeakPolarHBondContact O-CD1 3.36Å; A13-I17 VanDerWaalsContact O-CG1 3.28Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; A13-I17 PolarHBondContact O-N 2.98Å; Q14-I17 PolarHBondContact O-N 3.26Å; I17-S19 PolarHBondContact O-N 2.86Å; I17-M20 PolarHBondContact O-N 3.4Å; I17-H21 HydrophobicContact CG2-CB 4.48Å; I17-H21 WeakPolarHBondContact O-CB 3.31Å; I17-H21 PolarHBondContact O-N 3Å; I17-V35 HydrophobicContact CG1-CB 4.5Å; I17-V35 HydrophobicContact CG1-CG1 3.83Å; I17-F37 HydrophobicContact CD1-CD1 4.18Å; I17-F37 HydrophobicContact CD1-CD2 3.52Å; I17-F37 HydrophobicContact CD1-CE1 4.08Å; I17-F37 HydrophobicContact CD1-CE2 3.41Å; I17-F37 VanDerWaalsContact CD1-CE2 3.41Å; I17-F37 HydrophobicContact CD1-CG 3.9Å; I17-F37 HydrophobicContact CD1-CZ 3.7Å |
| 18 | K | 89.9 | Confident | 87.7 | Confident | 189 Ų | 189 | 95.4 Ų | 95.4 | 82% | 0.822 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -34.5 | -179 | -173.5 | 179.4 | 177.8 | -174.9 | 0 | 112.9 | Q14 S15 | Q14-K18 WeakPolarHBondContact O-CB 3.48Å; Q14-K18 PolarHBondContact O-N 2.96Å; S15-K18 PolarHBondContact O-N 3.4Å |
| 19 | S | 88.9 | Confident | 86.8 | Confident | 81 Ų | 81 | 91.8 Ų | 91.8 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -90.3 | -29.2 | -175.3 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | S15 A16 I17 S23 | S15-S19 WeakPolarHBondContact O-CB 3.41Å; S15-S19 PolarHBondContact O-N 2.85Å; S15-S19 PolarHBondContact O-OG 3.38Å; A16-S19 PolarHBondContact O-N 2.78Å; I17-S19 PolarHBondContact O-N 2.86Å; S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-OG 3.46Å |
| 20 | M | 86.8 | Confident | 86.3 | Confident | 85 Ų | 85 | 96.4 Ų | 96.4 | 42% | 0.419 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -106.7 | -22.7 | -174.1 | -61.9 | -157.5 | -55.7 | 0 | 0 | 114.6 | A16 I17 Q22 S23 V35 | A16-M20 VanDerWaalsContact O-CB 3.31Å; A16-M20 WeakPolarHBondContact O-CB 3.34Å; A16-M20 PolarHBondContact O-N 2.93Å; I17-M20 PolarHBondContact O-N 3.4Å; M20-Q22 PolarHBondContact O-N 2.91Å; M20-S23 VanDerWaalsContact CA-OG 3.24Å; M20-S23 WeakPolarHBondContact CA-OG 3.5Å; M20-S23 PolarHBondContact O-N 3.44Å; M20-S23 PolarHBondContact O-OG 2.89Å; M20-V35 HydrophobicContact CB-CG2 3.82Å |
| 21 | H | 88.9 | Confident | 86.1 | Confident | 63 Ų | 63 | 91.9 Ų | 91.9 | 29% | 0.292 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 120.5 | 179.3 | -174.9 | 98.4 | 0 | 0 | 0 | 111.4 | I17 S23 V35 | I17-H21 HydrophobicContact CG2-CB 4.48Å; I17-H21 WeakPolarHBondContact O-CB 3.31Å; I17-H21 PolarHBondContact O-N 3Å; H21-S23 PolarHBondContact O-N 2.76Å; H21-V35 HydrophobicContact CB-CB 4.35Å; H21-V35 PolarHBondContact ND1-N 2.94Å; H21-V35 PolarHBondContact ND1-O 3.42Å |
| 22 | Q | 85.5 | Confident | 85.6 | Confident | 127 Ų | 127 | 88.2 Ų | 88.2 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 0.1 | -177.1 | -63.5 | 178 | 49.7 | 0 | 0 | 116.3 | M20 P32 I33 | M20-Q22 PolarHBondContact O-N 2.91Å; Q22-P32 HydrophobicContact CB-CG 4.38Å; Q22-P32 HydrophobicContact CG-CG 4.37Å; Q22-I33 PolarHBondContact N-O 3.29Å |
| 23 | S | 84.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -22 | -174.7 | 69.5 | 0 | 0 | 0 | 0 | 115.3 | S19 M20 H21 | S19-S23 WeakPolarHBondContact O-CB 3.39Å; S19-S23 PolarHBondContact O-OG 3.46Å; M20-S23 VanDerWaalsContact CA-OG 3.24Å; M20-S23 WeakPolarHBondContact CA-OG 3.5Å; M20-S23 PolarHBondContact O-N 3.44Å; M20-S23 PolarHBondContact O-OG 2.89Å; H21-S23 PolarHBondContact O-N 2.76Å |
| 24 | Q | 76.7 | Confident | 85.4 | Confident | 111 Ų | 111 | 90 Ų | 90 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | trans | -133.3 | 139 | -176.7 | -72.5 | -176 | -8.5 | 0 | 0 | 109.8 | P32 I33 | Q24-P32 CarbonylContact O-C 3.55Å; Q24-P32 WeakPolarHBondContact O-CA 3.04Å; Q24-I33 HydrophobicContact CB-CD1 4.07Å; Q24-I33 WeakPolarHBondContact O-CG1 3.28Å; Q24-I33 PolarHBondContact O-N 3.41Å | ||
| 25 | T | 80.1 | Confident | 85.3 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | trans | -110.9 | 124.9 | 168.1 | -59.2 | 0 | 0 | 0 | 0 | 107 | C29 P32 | T25-C29 WeakPolarHBondContact CG2-O 3.48Å; T25-P32 WeakPolarHBondContact OG1-CA 3.44Å; T25-P32 WeakPolarHBondContact OG1-CB 3.5Å | ||
| 26 | L | 80.5 | Confident | 85.1 | Confident | 98 Ų | 98 | 91.4 Ų | 91.4 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | trans | -71.3 | 145.9 | 177.1 | -64.5 | 175.4 | 0 | 0 | 0 | 110.1 | G28 C29 I33 | L26-G28 PolarHBondContact O-N 3.29Å; L26-C29 HydrophobicContact CB-CB 4.28Å; L26-C29 WeakPolarHBondContact O-CB 3.46Å; L26-C29 PolarHBondContact O-N 3.29Å; L26-I33 HydrophobicContact CD1-CD1 4.32Å; L26-I33 HydrophobicContact CD1-CG1 4.37Å; L26-I33 HydrophobicContact CD2-CD1 3.88Å; L26-I33 HydrophobicContact CG-CD1 3.84Å; L26-I33 HydrophobicContact CG-CG1 4.01Å | ||
| 27 | E | 77 | Confident | 85.1 | Confident | 203 Ų | 203 | 95.6 Ų | 95.6 | 95% | 0.949 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 133.8 | 175.2 | -61.1 | -167.6 | 111.8 | 0 | 0 | 110.6 | C29 | E27-C29 VanDerWaalsContact C-N 3.32Å; E27-C29 PolarHBondContact O-N 3.26Å |
| 28 | G | 78.6 | Confident | 84.8 | Confident | 90 Ų | 90 | 97 Ų | 97 | 93% | 0.928 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | 2.2 | -173 | 0 | 0 | 0 | 0 | 0 | 116 | L26 | L26-G28 PolarHBondContact O-N 3.29Š|
| 29 | C | 74.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 94.6 Ų | 94.6 | 43% | 0.432 | 55% | 0.548 | S | S | . | . | trans | -107.1 | 126.5 | 175.2 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | T25 L26 E27 S31 | T25-C29 WeakPolarHBondContact CG2-O 3.48Å; L26-C29 HydrophobicContact CB-CB 4.28Å; L26-C29 WeakPolarHBondContact O-CB 3.46Å; L26-C29 PolarHBondContact O-N 3.29Å; E27-C29 VanDerWaalsContact C-N 3.32Å; E27-C29 PolarHBondContact O-N 3.26Å; C29-S31 PolarHBondContact O-N 3.44Å; C29-S31 VanDerWaalsContact O-N 3.16Å | ||
| 30 | S | 82.6 | Confident | 84 | Confident | 130 Ų | 130 | 95 Ų | 95 | 91% | 0.909 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -77.1 | 8.5 | 178.3 | -42.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 31 | S | 85.6 | Confident | 83.1 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -148.3 | 143 | -176.4 | -60 | 0 | 0 | 0 | 0 | 110.9 | C29 | C29-S31 PolarHBondContact O-N 3.44Å; C29-S31 VanDerWaalsContact O-N 3.16Å |
| 32 | P | 85 | Confident | 82 | Confident | 48 Ų | 48 | 101.8 Ų | 101.8 | 31% | 0.312 | 58% | 0.575 | S | S | . | * | trans | -73 | 158.9 | -178.9 | 32.7 | -37.5 | 0 | 0 | 0 | 112.2 | Q22 Q24 T25 V34 | Q22-P32 HydrophobicContact CB-CG 4.38Å; Q22-P32 HydrophobicContact CG-CG 4.37Å; Q24-P32 CarbonylContact O-C 3.55Å; Q24-P32 WeakPolarHBondContact O-CA 3.04Å; T25-P32 WeakPolarHBondContact OG1-CA 3.44Å; T25-P32 WeakPolarHBondContact OG1-CB 3.5Å; P32-V34 PolarHBondContact O-N 3.12Å | ||
| 33 | I | 89.4 | Confident | 81.3 | Confident | 55 Ų | 55 | 99.5 Ų | 99.5 | 28% | 0.282 | 57% | 0.567 | S | S | . | * | trans | -65.6 | 123 | -175 | -57.2 | 168.4 | 0 | 0 | 0 | 110.8 | Q22 Q24 L26 V35 | Q22-I33 PolarHBondContact N-O 3.29Å; Q24-I33 HydrophobicContact CB-CD1 4.07Å; Q24-I33 WeakPolarHBondContact O-CG1 3.28Å; Q24-I33 PolarHBondContact O-N 3.41Å; L26-I33 HydrophobicContact CD1-CD1 4.32Å; L26-I33 HydrophobicContact CD1-CG1 4.37Å; L26-I33 HydrophobicContact CD2-CD1 3.88Å; L26-I33 HydrophobicContact CG-CD1 3.84Å; L26-I33 HydrophobicContact CG-CG1 4.01Å; I33-V35 HydrophobicContact CG2-CG2 3.74Å | ||
| 34 | V | 88.9 | Confident | 80.8 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 61% | 0.606 | 57% | 0.572 | S | S | * | * | trans | -94.1 | 99.1 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 110 | P32 K36 | P32-V34 PolarHBondContact O-N 3.12Å; V34-K36 HydrophobicContact CG1-CD 4.05Å; V34-K36 HydrophobicContact CG1-CG 4.08Å | ||
| 35 | V | 91.3 | Very high | 80.8 | Confident | 29 Ų | 29 | 103.3 Ų | 103.3 | 18% | 0.176 | 58% | 0.575 | C | S | . | * | trans | -95.5 | 121 | 175.6 | -166 | 0 | 0 | 0 | 0 | 110 | I17 M20 H21 I33 | I17-V35 HydrophobicContact CG1-CB 4.5Å; I17-V35 HydrophobicContact CG1-CG1 3.83Å; M20-V35 HydrophobicContact CB-CG2 3.82Å; H21-V35 HydrophobicContact CB-CB 4.35Å; H21-V35 PolarHBondContact ND1-N 2.94Å; H21-V35 PolarHBondContact ND1-O 3.42Å; I33-V35 HydrophobicContact CG2-CG2 3.74Å | ||
| 36 | K | 89.4 | Confident | 80.6 | Confident | 158 Ų | 158 | 106 Ų | 106 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | trans | -139.2 | 166.2 | 176.3 | -62.1 | -176.5 | 74.6 | 175.6 | 0 | 109.4 | V34 | V34-K36 HydrophobicContact CG1-CD 4.05Å; V34-K36 HydrophobicContact CG1-CG 4.08Å | ||
| 37 | F | 90.1 | Very high | 80.5 | Confident | 105 Ų | 105 | 108.2 Ų | 108.2 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 138.7 | 164.7 | -74.1 | -74.2 | 0 | 0 | 0 | 109.7 | R10 A13 Q14 I17 | R10-F37 HydrophobicContact CG-CZ 4.47Å; A13-F37 HydrophobicContact CB-CE1 3.76Å; A13-F37 HydrophobicContact CB-CZ 4.2Å; Q14-F37 HydrophobicContact CG-CE2 4.16Å; Q14-F37 HydrophobicContact CG-CZ 3.75Å; I17-F37 HydrophobicContact CD1-CD1 4.18Å; I17-F37 HydrophobicContact CD1-CD2 3.52Å; I17-F37 HydrophobicContact CD1-CE1 4.08Å; I17-F37 HydrophobicContact CD1-CE2 3.41Å; I17-F37 VanDerWaalsContact CD1-CE2 3.41Å; I17-F37 HydrophobicContact CD1-CG 3.9Å; I17-F37 HydrophobicContact CD1-CZ 3.7Å |
| 38 | A | 87.4 | Confident | 80.6 | Confident | 66 Ų | 66 | 107.5 Ų | 107.5 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 136 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F4 T40 | F4-A38 HydrophobicContact CD1-CB 4.16Å; F4-A38 HydrophobicContact CE1-CB 4.16Å; A38-T40 PolarHBondContact O-N 3.35Å |
| 39 | D | 82.6 | Confident | 80.8 | Confident | 137 Ų | 137 | 108.6 Ų | 108.6 | 73% | 0.733 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 129.3 | 175.4 | -62.1 | -47.3 | 0 | 0 | 0 | 109.9 | ||
| 40 | T | 80 | Confident | 81 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 55% | 0.546 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 149 | 175.5 | 74.6 | 0 | 0 | 0 | 0 | 109.7 | A38 K42 D43 K44 | A38-T40 PolarHBondContact O-N 3.35Å; T40-K42 PolarHBondContact O-N 3.16Å; T40-K42 VanDerWaalsContact O-N 3.15Å; T40-D43 WeakPolarHBondContact O-CB 3.18Å; T40-D43 PolarHBondContact O-N 3.08Å; T40-D43 PolarHBondContact OG1-N 3.37Å; T40-D43 VanDerWaalsContact OG1-N 3.16Å; T40-K44 PolarHBondContact O-N 3.25Å; T40-K44 VanDerWaalsContact O-N 3.08Å |
| 41 | Q | 66.6 | Low | 80.9 | Confident | 132 Ų | 132 | 108 Ų | 108 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -54.1 | -35.6 | 174.2 | -79.8 | -80.5 | 101 | 0 | 0 | 112.1 | K44 E45 | Q41-K44 PolarHBondContact O-N 2.79Å; Q41-E45 WeakPolarHBondContact O-CB 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.43Å; Q41-E45 PolarHBondContact O-N 3.34Å |
| 42 | K | 66.8 | Low | 80.7 | Confident | 160 Ų | 160 | 109.5 Ų | 109.5 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 174.5 | -68.3 | -168 | 173.1 | -165.4 | 0 | 112.9 | T40 E45 Q46 | T40-K42 PolarHBondContact O-N 3.16Å; T40-K42 VanDerWaalsContact O-N 3.15Å; K42-E45 PolarHBondContact O-N 3.38Å; K42-Q46 WeakPolarHBondContact O-CB 3.5Å; K42-Q46 PolarHBondContact O-N 3.32Å |
| 43 | D | 71.4 | Confident | 80.3 | Confident | 78 Ų | 78 | 112.5 Ų | 112.5 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -45.8 | 177.2 | -165.5 | -73.7 | 0 | 0 | 0 | 110.4 | T40 E45 Q46 K47 | T40-D43 WeakPolarHBondContact O-CB 3.18Å; T40-D43 PolarHBondContact O-N 3.08Å; T40-D43 PolarHBondContact OG1-N 3.37Å; T40-D43 VanDerWaalsContact OG1-N 3.16Å; D43-E45 VanDerWaalsContact C-N 3.35Å; D43-E45 PolarHBondContact O-N 2.9Å; D43-Q46 PolarHBondContact O-N 2.99Å; D43-K47 WeakPolarHBondContact O-CB 3.48Å; D43-K47 PolarHBondContact O-N 3.15Å |
| 44 | K | 72.9 | Confident | 79.5 | Confident | 137 Ų | 137 | 115.5 Ų | 115.5 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.6 | -39.2 | 175.6 | -171.5 | 175.7 | 179.9 | 179.6 | 0 | 113.1 | T40 Q41 R48 | T40-K44 PolarHBondContact O-N 3.25Å; T40-K44 VanDerWaalsContact O-N 3.08Å; Q41-K44 PolarHBondContact O-N 2.79Å; K44-R48 VanDerWaalsContact O-CB 3.31Å; K44-R48 WeakPolarHBondContact O-CB 3.34Å; K44-R48 PolarHBondContact O-N 3.01Å |
| 45 | E | 75.6 | Confident | 78.8 | Confident | 123 Ų | 123 | 116.5 Ų | 116.5 | 58% | 0.575 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.4 | -42.6 | 174.6 | -73.8 | 175.9 | 136 | 0 | 0 | 112.2 | Q41 K42 D43 R48 L49 | Q41-E45 WeakPolarHBondContact O-CB 3.31Å; Q41-E45 WeakPolarHBondContact O-CG 3.43Å; Q41-E45 PolarHBondContact O-N 3.34Å; K42-E45 PolarHBondContact O-N 3.38Å; D43-E45 VanDerWaalsContact C-N 3.35Å; D43-E45 PolarHBondContact O-N 2.9Å; E45-R48 WeakPolarHBondContact O-CB 3.43Å; E45-R48 PolarHBondContact O-N 2.81Å; E45-L49 WeakPolarHBondContact O-CB 3.19Å; E45-L49 PolarHBondContact O-N 3.24Å |
| 46 | Q | 76 | Confident | 77.6 | Confident | 140 Ų | 140 | 120.4 Ų | 120.4 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -38.9 | 179.1 | -167.9 | 167 | 15.9 | 0 | 0 | 111.5 | K42 D43 L49 A50 | K42-Q46 WeakPolarHBondContact O-CB 3.5Å; K42-Q46 PolarHBondContact O-N 3.32Å; D43-Q46 PolarHBondContact O-N 2.99Å; Q46-L49 PolarHBondContact O-N 2.91Å; Q46-A50 WeakPolarHBondContact O-CB 3.3Å; Q46-A50 PolarHBondContact O-N 3.38Å |
| 47 | K | 78.3 | Confident | 76.4 | Confident | 145 Ų | 145 | 119 Ų | 119 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -38.1 | 171.7 | -171.3 | 169.9 | -175.4 | 172.2 | 0 | 112.3 | D43 Q51 | D43-K47 WeakPolarHBondContact O-CB 3.48Å; D43-K47 PolarHBondContact O-N 3.15Å; K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.37Å; K47-Q51 PolarHBondContact O-N 3.04Å |
| 48 | R | 80.4 | Confident | 75.3 | Confident | 187 Ų | 187 | 119.5 Ų | 119.5 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | 172.1 | -177.3 | 178.3 | -178.5 | 149.9 | 6.7 | 111.8 | K44 E45 Q51 Q52 | K44-R48 VanDerWaalsContact O-CB 3.31Å; K44-R48 WeakPolarHBondContact O-CB 3.34Å; K44-R48 PolarHBondContact O-N 3.01Å; E45-R48 WeakPolarHBondContact O-CB 3.43Å; E45-R48 PolarHBondContact O-N 2.81Å; R48-Q51 PolarHBondContact O-N 3.4Å; R48-Q52 WeakPolarHBondContact O-CB 3.38Å; R48-Q52 PolarHBondContact O-N 2.83Å |
| 49 | L | 81.6 | Confident | 74.1 | Confident | 114 Ų | 114 | 122.5 Ų | 122.5 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.8 | -43.5 | 177.1 | -177.4 | 63.2 | 0 | 0 | 0 | 111.4 | E45 Q46 Q52 L53 | E45-L49 WeakPolarHBondContact O-CB 3.19Å; E45-L49 PolarHBondContact O-N 3.24Å; Q46-L49 PolarHBondContact O-N 2.91Å; L49-Q52 PolarHBondContact O-N 2.88Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 2.88Å |
| 50 | A | 78.5 | Confident | 72.7 | Confident | 56 Ų | 56 | 122 Ų | 122 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q46 Q52 L53 Q54 | Q46-A50 WeakPolarHBondContact O-CB 3.3Å; Q46-A50 PolarHBondContact O-N 3.38Å; A50-Q52 PolarHBondContact O-N 3.39Å; A50-L53 PolarHBondContact O-N 3.3Å; A50-Q54 WeakPolarHBondContact O-CB 3.49Å; A50-Q54 PolarHBondContact O-N 2.86Å |
| 51 | Q | 81.4 | Confident | 71.6 | Confident | 125 Ų | 125 | 120.5 Ų | 120.5 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66 | -35.7 | 176.1 | -170.3 | 172.5 | 25.7 | 0 | 0 | 112.5 | K47 R48 Q55 | K47-Q51 VanDerWaalsContact O-CB 3.3Å; K47-Q51 WeakPolarHBondContact O-CB 3.37Å; K47-Q51 PolarHBondContact O-N 3.04Å; R48-Q51 PolarHBondContact O-N 3.4Å; Q51-Q55 WeakPolarHBondContact O-CB 3.33Å; Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 3.38Å |
| 52 | Q | 81.1 | Confident | 70.9 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.3 | -43.7 | 173.8 | -178.2 | 175.3 | -19.8 | 0 | 0 | 111.8 | R48 L49 A50 Q54 Q55 Q56 | R48-Q52 WeakPolarHBondContact O-CB 3.38Å; R48-Q52 PolarHBondContact O-N 2.83Å; L49-Q52 PolarHBondContact O-N 2.88Å; A50-Q52 PolarHBondContact O-N 3.39Å; Q52-Q54 VanDerWaalsContact C-N 3.32Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q52-Q55 PolarHBondContact O-N 3.49Å; Q52-Q56 PolarHBondContact O-N 2.87Å |
| 53 | L | 76.4 | Confident | 70 | Confident | 112 Ų | 112 | 114.9 Ų | 114.9 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63 | -40.1 | 175.2 | -173.7 | 66.2 | 0 | 0 | 0 | 111.2 | L49 A50 Q56 M57 | L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 2.88Å; A50-L53 PolarHBondContact O-N 3.3Å; L53-Q56 PolarHBondContact O-N 2.89Å; L53-M57 WeakPolarHBondContact O-CB 3.48Å; L53-M57 PolarHBondContact O-N 3.26Å |
| 54 | Q | 73.8 | Confident | 68.9 | Low | 118 Ų | 118 | 115.2 Ų | 115.2 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -35.8 | 175.4 | -169.3 | 168.2 | -14.2 | 0 | 0 | 112.1 | A50 Q52 M57 Q58 | A50-Q54 WeakPolarHBondContact O-CB 3.49Å; A50-Q54 PolarHBondContact O-N 2.86Å; Q52-Q54 VanDerWaalsContact C-N 3.32Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q54-M57 HydrophobicContact CG-CE 4.5Å; Q54-M57 PolarHBondContact O-N 2.92Å; Q54-Q58 VanDerWaalsContact O-CB 3.28Å; Q54-Q58 WeakPolarHBondContact O-CB 3.25Å; Q54-Q58 PolarHBondContact O-N 3.23Å |
| 55 | Q | 73.1 | Confident | 67.8 | Low | 120 Ų | 120 | 116 Ų | 116 | 56% | 0.561 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.1 | -40.7 | 170.1 | -82.1 | -174.6 | -12.8 | 0 | 0 | 112.3 | Q51 Q52 Q58 Q59 | Q51-Q55 WeakPolarHBondContact O-CB 3.33Å; Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 3.38Å; Q52-Q55 PolarHBondContact O-N 3.49Å; Q55-Q58 PolarHBondContact O-N 3.3Å; Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 3.37Å |
| 56 | Q | 67 | Low | 66.1 | Low | 111 Ų | 111 | 122.3 Ų | 122.3 | 52% | 0.519 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.6 | -44.6 | 175.8 | -169.5 | 173.6 | 14.1 | 0 | 0 | 111.3 | Q52 L53 Q58 Q59 L60 | Q52-Q56 PolarHBondContact O-N 2.87Å; L53-Q56 PolarHBondContact O-N 2.89Å; Q56-Q58 VanDerWaalsContact C-N 3.35Å; Q56-Q58 PolarHBondContact O-N 2.83Å; Q56-Q59 PolarHBondContact O-N 2.99Å; Q56-L60 HydrophobicContact CG-CD1 4.36Å; Q56-L60 WeakPolarHBondContact O-CD1 3.28Å; Q56-L60 PolarHBondContact O-N 3.33Å |
| 57 | M | 64 | Low | 64.4 | Low | 129 Ų | 129 | 119 Ų | 119 | 64% | 0.635 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.7 | -37.9 | 174.5 | -174.3 | 164.9 | 57.5 | 0 | 0 | 112.3 | L53 Q54 Q59 L60 S61 | L53-M57 WeakPolarHBondContact O-CB 3.48Å; L53-M57 PolarHBondContact O-N 3.26Å; Q54-M57 HydrophobicContact CG-CE 4.5Å; Q54-M57 PolarHBondContact O-N 2.92Å; M57-Q59 VanDerWaalsContact C-N 3.34Å; M57-L60 PolarHBondContact O-N 2.88Å; M57-S61 PolarHBondContact O-N 3.43Å |
| 58 | Q | 65.7 | Low | 62.5 | Low | 115 Ų | 115 | 119.1 Ų | 119.1 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -69 | -31 | 175.2 | -155.1 | 81.6 | 85 | 0 | 0 | 112.3 | Q54 Q55 Q56 S61 A62 | Q54-Q58 VanDerWaalsContact O-CB 3.28Å; Q54-Q58 WeakPolarHBondContact O-CB 3.25Å; Q54-Q58 PolarHBondContact O-N 3.23Å; Q55-Q58 PolarHBondContact O-N 3.3Å; Q56-Q58 VanDerWaalsContact C-N 3.35Å; Q56-Q58 PolarHBondContact O-N 2.83Å; Q58-S61 WeakPolarHBondContact CA-OG 3.39Å; Q58-S61 PolarHBondContact NE2-OG 2.94Å; Q58-S61 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-OG 3.46Å; Q58-A62 VanDerWaalsContact O-CB 3.25Å; Q58-A62 WeakPolarHBondContact O-CB 3.42Å; Q58-A62 PolarHBondContact O-N 2.85Å |
| 59 | Q | 62 | Low | 60.4 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 61% | 0.607 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.5 | -42.9 | 172.4 | -76.5 | 176.3 | 2.9 | 0 | 0 | 111.1 | Q55 Q56 M57 S61 A62 T63 | Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 3.37Å; Q56-Q59 PolarHBondContact O-N 2.99Å; M57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-S61 VanDerWaalsContact C-N 3.28Å; Q59-S61 PolarHBondContact O-N 3.36Å; Q59-A62 PolarHBondContact O-N 3.11Å; Q59-T63 PolarHBondContact O-N 2.93Å; Q59-T63 PolarHBondContact O-OG1 3.48Å; Q59-T63 VanDerWaalsContact O-OG1 3.1Å |
| 60 | L | 54.6 | Low | 58.6 | Low | 127 Ų | 127 | 116.8 Ų | 116.8 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.4 | -33.5 | 171.8 | -84.6 | 81.1 | 0 | 0 | 0 | 112.4 | Q56 M57 | Q56-L60 HydrophobicContact CG-CD1 4.36Å; Q56-L60 WeakPolarHBondContact O-CD1 3.28Å; Q56-L60 PolarHBondContact O-N 3.33Å; M57-L60 PolarHBondContact O-N 2.88Å |
| 61 | S | 57.2 | Low | 57.1 | Low | 57 Ų | 57 | 117.5 Ų | 117.5 | 40% | 0.399 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74.7 | -24.6 | 171.6 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | M57 Q58 Q59 | M57-S61 PolarHBondContact O-N 3.43Å; Q58-S61 WeakPolarHBondContact CA-OG 3.39Å; Q58-S61 PolarHBondContact NE2-OG 2.94Å; Q58-S61 PolarHBondContact O-N 3.48Å; Q58-S61 PolarHBondContact O-OG 3.46Å; Q59-S61 VanDerWaalsContact C-N 3.28Å; Q59-S61 PolarHBondContact O-N 3.36Å |
| 62 | A | 50.5 | Low | 55 | Low | 55 Ų | 55 | 121.8 Ų | 121.8 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -80.1 | -26.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q58 Q59 S64 M65 | Q58-A62 VanDerWaalsContact O-CB 3.25Å; Q58-A62 WeakPolarHBondContact O-CB 3.42Å; Q58-A62 PolarHBondContact O-N 2.85Å; Q59-A62 PolarHBondContact O-N 3.11Å; A62-S64 PolarHBondContact O-N 3.44Å; A62-S64 VanDerWaalsContact O-N 3.11Å; A62-M65 PolarHBondContact O-N 3.09Å |
| 63 | T | 47.9 | Very low | 53.3 | Low | 118 Ų | 118 | 124.7 Ų | 124.7 | 72% | 0.724 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -18.8 | 171.6 | -50 | 0 | 0 | 0 | 0 | 112.4 | Q59 M65 | Q59-T63 PolarHBondContact O-N 2.93Å; Q59-T63 PolarHBondContact O-OG1 3.48Å; Q59-T63 VanDerWaalsContact O-OG1 3.1Å; T63-M65 VanDerWaalsContact C-N 3.31Å; T63-M65 PolarHBondContact O-N 2.96Å |
| 64 | S | 49.7 | Very low | 51.7 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -7.7 | 171.5 | -52.2 | 0 | 0 | 0 | 0 | 114.9 | A62 | A62-S64 PolarHBondContact O-N 3.44Å; A62-S64 VanDerWaalsContact O-N 3.11Å |
| 65 | M | 47.9 | Very low | 50.1 | Low | 152 Ų | 152 | 127.6 Ų | 127.6 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -14.3 | -169.7 | -67.5 | -75.7 | 92 | 0 | 0 | 115.6 | A62 T63 G67 | A62-M65 PolarHBondContact O-N 3.09Å; T63-M65 VanDerWaalsContact C-N 3.31Å; T63-M65 PolarHBondContact O-N 2.96Å; M65-G67 VanDerWaalsContact C-N 3.32Å; M65-G67 PolarHBondContact O-N 3.33Å |
| 66 | W | 40.4 | Very low | 49.2 | Very low | 257 Ų | 257 | 125 Ų | 125 | 97% | 0.973 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -98.5 | 54.4 | 167.1 | -161 | 45.1 | 0 | 0 | 0 | 111.6 | ||
| 67 | G | 41.4 | Very low | 48.9 | Very low | 70 Ų | 70 | 125.8 Ų | 125.8 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -129.4 | 23.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M65 L69 | M65-G67 VanDerWaalsContact C-N 3.32Å; M65-G67 PolarHBondContact O-N 3.33Å; G67-L69 PolarHBondContact O-N 2.95Å | ||
| 68 | N | 37.8 | Very low | 48.2 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -95.3 | 88.1 | -179.8 | -171.7 | 0.4 | 0 | 0 | 0 | 111.9 | S70 | N68-S70 PolarHBondContact OD1-N 2.92Å; N68-S70 VanDerWaalsContact OD1-N 3.09Å | ||
| 69 | L | 35.9 | Very low | 47.4 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -116 | 79.3 | 147.1 | -177.3 | 60 | 0 | 0 | 0 | 108.8 | G67 | G67-L69 PolarHBondContact O-N 2.95Š|
| 70 | S | 44.1 | Very low | 46.6 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | 42.5 | 95.6 | 152.2 | 61.9 | 0 | 0 | 0 | 0 | 118.3 | N68 | N68-S70 PolarHBondContact OD1-N 2.92Å; N68-S70 VanDerWaalsContact OD1-N 3.09Å | ||
| 71 | G | 46.1 | Very low | 46.3 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 102.2 | 94.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 72 | F | 37.3 | Very low | 45.9 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 95% | 0.947 | 77% | 0.766 | S | S | * | * | -144.9 | 154.9 | 118.5 | -129.7 | -95.4 | 0 | 0 | 0 | 109.7 | |||||
| 73 | H | 47.3 | Very low | 45.7 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -90.7 | 158.1 | -175.2 | -86.6 | 84.5 | 0 | 0 | 0 | 112.7 | ||||
| 74 | N | 42.3 | Very low | 45.6 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | 67.7 | 109.7 | 149.9 | -153.5 | 28.5 | 0 | 0 | 0 | 116.1 | ||||
| 75 | L | 40.7 | Very low | 45.3 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -171.1 | 174.8 | 82.9 | -93 | 166.3 | 0 | 0 | 0 | 112 | |||||
| 76 | G | 52.3 | Low | 44.6 | Very low | 64 Ų | 64 | 147.3 Ų | 147.3 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -76.3 | -179.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 77 | P | 62.4 | Low | 44.1 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 135.1 | -167.1 | 32 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 78 | Q | 49.4 | Very low | 43.8 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -164 | 171.9 | 155.5 | -98.3 | -54.1 | -14.7 | 0 | 0 | 108.9 | ||||
| 79 | F | 48.1 | Very low | 43.4 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 61.5 | 93.4 | 167.5 | -95.7 | -99.7 | 0 | 0 | 0 | 118.4 | ||||
| 80 | L | 44.5 | Very low | 43.4 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -138.3 | 82.3 | 134.9 | -173.5 | 60.5 | 0 | 0 | 0 | 109.7 | ||||
| 81 | A | 49.3 | Very low | 43 | Very low | 86 Ų | 86 | 147.2 Ų | 147.2 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | -132 | 42.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 82 | L | 48.8 | Very low | 42.5 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -156.1 | 103 | 172.7 | -166.4 | 70.7 | 0 | 0 | 0 | 111.8 | ||||
| 83 | L | 46.3 | Very low | 42.3 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | 175.8 | 76.9 | 134.8 | -171.4 | 62.9 | 0 | 0 | 0 | 110.6 | ||||
| 84 | Q | 46.1 | Very low | 41.8 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -125.1 | 82.2 | 161 | -174.2 | 168.5 | 39.7 | 0 | 0 | 109.2 | ||||
| 85 | Q | 43.3 | Very low | 41.3 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -160.1 | 84.9 | 176.8 | -132.9 | 176.6 | 88.2 | 0 | 0 | 112 | ||||
| 86 | S | 32.3 | Very low | 41 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -172.4 | 79.5 | 166.2 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 87 | T | 29.9 | Very low | 40.4 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -130.3 | 100.9 | 167.2 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | F | 34.7 | Very low | 39.1 | Very low | 203 Ų | 203 | 147 Ų | 147 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | 31 | 114.7 | 152.8 | -62.3 | -85.7 | 0 | 0 | 0 | 120.1 | ||||
| 89 | T | 31.3 | Very low | 38.5 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | trans | -74.5 | 137.4 | 158.6 | 40.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 90 | G | 33.9 | Very low | 37.9 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -170.4 | 97.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 91 | N | 35.9 | Very low | 37.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -52.4 | 140.4 | -167.3 | -71.4 | -14.5 | 0 | 0 | 0 | 119.1 | ||||
| 92 | A | 36.8 | Very low | 36.9 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 57.3 | 110.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 93 | L | 33.2 | Very low | 36.4 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | -165.2 | 150.9 | 110.5 | -139.3 | 72.2 | 0 | 0 | 0 | 113.1 | |||||
| 94 | S | 36.9 | Very low | 35.8 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 63.1 | 132.3 | 151.2 | -62.9 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 95 | N | 30.1 | Very low | 35.4 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 71.2 | 86.9 | 147.5 | -96 | -34.2 | 0 | 0 | 0 | 123.1 | ||||
| 96 | L | 35.8 | Very low | 35.2 | Very low | 138 Ų | 138 | 134 Ų | 134 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | 38.7 | 132.4 | 114.4 | -158.5 | 113.7 | 0 | 0 | 0 | 122 | |||||
| 97 | H | 39.4 | Very low | 35.6 | Very low | 151 Ų | 151 | 136 Ų | 136 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 72.3 | 145.7 | 161.3 | -83.9 | -169.3 | 0 | 0 | 0 | 119.2 | ||||
| 98 | Q | 35.1 | Very low | 36.1 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -166.8 | 161.7 | -27.5 | -143.4 | -162.5 | 38.3 | 0 | 0 | 110 | ||||
| 99 | V | 36.1 | Very low | 36.2 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | 65.2 | 122.9 | 163.4 | 168.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 100 | S | 36 | Very low | 36.3 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | cis | 93.5 | 121.3 | 30.7 | -59.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 101 | G | 33 | Very low | 36.5 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 138 | 61.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 102 | L | 39 | Very low | 36.2 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | 60.5 | 112.5 | 98.5 | -69.9 | 174.9 | 0 | 0 | 0 | 115.5 | |||||
| 103 | N | 39.2 | Very low | 35.9 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | trans | -122.5 | 136.1 | 157.1 | -121.5 | -110.7 | 0 | 0 | 0 | 106.6 | ||||
| 104 | S | 33.7 | Very low | 35.8 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -159.9 | 162.2 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 105 | M | 37.4 | Very low | 35.5 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 69.3 | 143 | 174.2 | -71.4 | -165.9 | -64.8 | 0 | 0 | 117.1 | ||||
| 106 | Q | 39.6 | Very low | 35.4 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | cis | -156.9 | 151.3 | -19.2 | -170.6 | 64.5 | -3.5 | 0 | 0 | 109.3 | ||||
| 107 | N | 41.1 | Very low | 35 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -140.9 | 122.3 | 164.5 | -175.9 | -17.5 | 0 | 0 | 0 | 108.9 | ||||
| 108 | L | 40.7 | Very low | 34.5 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -160.9 | 117.7 | 170.7 | -115 | 149 | 0 | 0 | 0 | 113.3 | ||||
| 109 | A | 35.8 | Very low | 34.2 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | 25.3 | 124.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 110 | A | 33.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | 38.3 | 136 | 121.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 111 | L | 37.6 | Very low | 33.5 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | -151 | -175.8 | 120.3 | -158.4 | 41 | 0 | 0 | 0 | 111.4 | |||||
| 112 | S | 30.2 | Very low | 33.4 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -103.1 | 152.9 | -161.1 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 113 | A | 30.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | 44.3 | 151.9 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 114 | A | 30.1 | Very low | 32.5 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 92.6 | 122 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 115 | A | 31 | Very low | 32.7 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 70.1 | 124.9 | 143 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 116 | T | 29.1 | Very low | 32.7 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 58 | 115.8 | 137 | 53.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 117 | D | 27.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | 108.6 | 140.3 | 120.1 | -95 | -41 | 0 | 0 | 0 | 123.5 | |||||
| 118 | T | 28.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | 50.2 | 104.7 | 153.2 | 52.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 119 | Q | 28.6 | Very low | 31.8 | Very low | 193 Ų | 193 | 119 Ų | 119 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | 73.3 | 122.2 | 107.5 | -166.9 | -177.5 | 99.4 | 0 | 0 | 121.5 | |||||
| 120 | G | 27.7 | Very low | 31.9 | Very low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | 90.4 | 154.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 121 | T | 30.5 | Very low | 32.2 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | cis | -158.7 | 143.1 | -14.1 | -7.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 122 | T | 29.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -100.6 | 125 | -176.9 | 41.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 123 | S | 32.3 | Very low | 33.3 | Very low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -175.7 | 156.3 | 168.8 | -88.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 124 | T | 27.7 | Very low | 34.7 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | -165.7 | 123.7 | -17 | -93 | 0 | 0 | 0 | 0 | 111 | ||||
| 125 | S | 37.5 | Very low | 35 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | trans | 47.4 | 148.3 | 148.7 | 83.8 | 0 | 0 | 0 | 0 | 126 | ||||
| 126 | N | 36.5 | Very low | 35.2 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 154.3 | 137.9 | -69 | -11.1 | 0 | 0 | 0 | 120 | ||||
| 127 | I | 34.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 123 Ų | 123 | 65% | 0.646 | 76% | 0.758 | S | S | * | * | cis | -160.2 | 152.1 | 0.6 | -124.4 | 166.5 | 0 | 0 | 0 | 114.5 | ||||
| 128 | M | 38.3 | Very low | 35.8 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 53 | 167.7 | 159.1 | -61.5 | -175.9 | -152.9 | 0 | 0 | 120.1 | ||||
| 129 | T | 31.8 | Very low | 36.2 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | cis | -166.4 | 165.7 | 28.1 | -148 | 0 | 0 | 0 | 0 | 110 | ||||
| 130 | T | 37.1 | Very low | 36.5 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 63% | 0.632 | 77% | 0.77 | S | S | * | * | cis | -171 | 162.3 | -19.9 | 20 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | S | 40.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 63.6 | 153.2 | 157.7 | 44.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 132 | S | 38.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | cis | -164.4 | 170.7 | -3.7 | 39.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 133 | S | 51.9 | Low | 37.4 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -145.1 | 167.8 | 165.7 | -48.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 134 | P | 59.6 | Low | 37.3 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | -166.5 | 166.3 | 86.6 | 44.9 | -23.5 | 0 | 0 | 0 | 120.8 | |||||
| 135 | L | 37.2 | Very low | 37.7 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | 57.1 | 152.1 | 134.1 | -75.3 | 167.3 | 0 | 0 | 0 | 128.3 | ||||
| 136 | S | 34.4 | Very low | 37.4 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 103.3 | 124.1 | 148.9 | -144.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 137 | A | 37.7 | Very low | 37.2 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | 102.9 | 130.3 | 10.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 138 | L | 31.6 | Very low | 37.2 | Very low | 180 Ų | 180 | 126 Ų | 126 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -157.5 | 151.3 | 164.3 | -172.6 | 57.2 | 0 | 0 | 0 | 110.5 | ||||
| 139 | A | 36.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -158.4 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 140 | G | 36.5 | Very low | 37 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 101.4 | 150.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 141 | S | 34.2 | Very low | 36.7 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | cis | -156.7 | 165.1 | -3.3 | -165.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 142 | G | 30.7 | Very low | 36.4 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | -173.3 | -162.2 | 10.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 143 | N | 40.8 | Very low | 36.8 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -135.9 | 129.4 | -166.6 | 172.1 | 34.8 | 0 | 0 | 0 | 114.2 | ||||
| 144 | K | 31.5 | Very low | 36.9 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -153.2 | 115.1 | 163 | -79.3 | -155.8 | 177.3 | -176.3 | 0 | 115.3 | ||||
| 145 | I | 35.6 | Very low | 35.8 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | 22.4 | 131.8 | 141.4 | 55.7 | 165.7 | 0 | 0 | 0 | 124 | ||||
| 146 | N | 31.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 67.5 | 124 | 133.8 | -161.1 | 6.6 | 0 | 0 | 0 | 121 | ||||
| 147 | G | 30.4 | Very low | 36.8 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 170.4 | 148 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 148 | N | 34.5 | Very low | 36.4 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -133.9 | 164.4 | -176.6 | -169.9 | 21.9 | 0 | 0 | 0 | 111.8 | ||||
| 149 | F | 31.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | 79.7 | 147.8 | 154.9 | -109.2 | -58.1 | 0 | 0 | 0 | 121.1 | ||||
| 150 | Y | 33.8 | Very low | 36.3 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 151 | 160.3 | 16.5 | -108.9 | 0 | 0 | 0 | 120.9 | ||||
| 151 | S | 31.4 | Very low | 36.2 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | cis | -161.1 | 155.5 | -9.4 | -159.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 152 | T | 34.9 | Very low | 36.1 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 29.4 | 130.2 | 145.5 | 52.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 153 | S | 46.1 | Very low | 36.3 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -66.5 | 156.1 | 149.4 | -36.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 154 | P | 54.8 | Low | 36.5 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -121.2 | 124.7 | 169.7 | 24.7 | -5 | 0 | 0 | 0 | 116.5 | ||||
| 155 | L | 35.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | 67 | 124.4 | 125.2 | -54.6 | 172.9 | 0 | 0 | 0 | 122.4 | |||||
| 156 | E | 39.3 | Very low | 36.3 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -80.7 | 172.6 | 156.2 | -51.6 | 162.3 | 101.3 | 0 | 0 | 111.8 | ||||
| 157 | P | 53.1 | Low | 36.1 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -135.8 | 103.4 | 150.4 | 35.2 | -19.7 | 0 | 0 | 0 | 116.3 | ||||
| 158 | M | 30.6 | Very low | 36.1 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | 66.7 | 113 | 119.2 | -172 | 174 | 60.9 | 0 | 0 | 122.6 | |||||
| 159 | G | 33.6 | Very low | 36.1 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 106.4 | 160.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 160 | K | 31.9 | Very low | 36.1 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | cis | -149.1 | 157.4 | -1.7 | -61.9 | 179 | -177.8 | 170.9 | 0 | 110.2 | ||||
| 161 | W | 33.7 | Very low | 35.9 | Very low | 258 Ų | 258 | 143.9 Ų | 143.9 | 98% | 0.977 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 128.5 | 171.5 | -77.5 | 82.4 | 0 | 0 | 0 | 112.1 | ||||
| 162 | K | 32 | Very low | 35.8 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -172.9 | 138.9 | 147.3 | -118.4 | -177.6 | 176.1 | -177.8 | 0 | 114.7 | ||||
| 163 | S | 35.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -111.9 | 175.8 | 152.5 | -62 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 164 | P | 45.8 | Very low | 35.3 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | cis | -136.2 | -175.4 | 10.5 | 43.6 | -26.3 | 0 | 0 | 0 | 115.6 | ||||
| 165 | G | 30.5 | Very low | 34.4 | Very low | 67 Ų | 67 | 147.4 Ų | 147.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 150.6 | 117 | 154 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 166 | Q | 31.3 | Very low | 34.4 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | 63.4 | 124.5 | 136.7 | -67 | -161.9 | -95.8 | 0 | 0 | 125 | ||||
| 167 | D | 28.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | 77.9 | 108.7 | 128.5 | -71.7 | -71.5 | 0 | 0 | 0 | 125.7 | |||||
| 168 | L | 30.2 | Very low | 33.6 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 74.6 | 144.6 | 123.8 | -110.8 | 67.2 | 0 | 0 | 0 | 125.4 | |||||
| 169 | V | 34 | Very low | 33.9 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | 71 | 117 | 154.6 | -62.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 170 | N | 32.4 | Very low | 34.2 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 77.8 | 87 | 125.9 | -157.7 | 100.5 | 0 | 0 | 0 | 122.8 | |||||
| 171 | E | 28.2 | Very low | 34.4 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 34 | 124.5 | 117.5 | -159.4 | -159.8 | 131 | 0 | 0 | 121.4 | |||||
| 172 | K | 29.9 | Very low | 34.8 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | -171 | 112.1 | 123.3 | -153.1 | 169.5 | -173.8 | 173 | 0 | 115.8 | |||||
| 173 | T | 37.1 | Very low | 35.1 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 61.9 | 157.5 | 156.2 | 56.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 174 | N | 34.3 | Very low | 35.1 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -150.9 | 160.8 | 10.5 | -140.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 175 | S | 34.5 | Very low | 34.5 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | 58.8 | 91.5 | 151.6 | -54.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 176 | L | 36.1 | Very low | 34.5 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | 170.8 | 89.4 | 109.8 | -91 | 165.1 | 0 | 0 | 0 | 113.1 | |||||
| 177 | S | 38 | Very low | 34.9 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | -83.6 | 169.2 | 157.5 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 178 | S | 38.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | cis | -154.8 | 162.7 | 19.9 | -34.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 179 | M | 37.7 | Very low | 35.6 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | 55.3 | 140.1 | 63.4 | 129.9 | -168.1 | 162.2 | 0 | 0 | 113.6 | |||||
| 180 | A | 38.6 | Very low | 35.6 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | cis | -168.2 | -155.8 | -11.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 181 | T | 36.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 76.2 | 119.8 | 160.6 | -50.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 182 | I | 42.2 | Very low | 35.9 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | cis | 86.2 | 108.4 | 44.1 | -61.4 | 169.3 | 0 | 0 | 0 | 114.2 | ||||
| 183 | N | 37.9 | Very low | 36.1 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | 54 | 123.9 | 150.6 | -167 | 26.1 | 0 | 0 | 0 | 120.7 | ||||
| 184 | G | 35.5 | Very low | 35.8 | Very low | 66 Ų | 66 | 122.6 Ų | 122.6 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 166.8 | 102.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 185 | N | 34.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 58.9 | 116.7 | 138.9 | -175.3 | 91.8 | 0 | 0 | 0 | 122 | ||||
| 186 | F | 29.8 | Very low | 35.4 | Very low | 195 Ų | 195 | 121.8 Ų | 121.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | -151 | 158.8 | 124.3 | -149.7 | -100.1 | 0 | 0 | 0 | 112.6 | |||||
| 187 | S | 38.8 | Very low | 35.7 | Very low | 86 Ų | 86 | 121 Ų | 121 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | trans | -116.2 | 150.5 | -169.8 | -50.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 188 | S | 40.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -172.6 | 138.8 | 149.2 | -168.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 189 | G | 34.3 | Very low | 35.7 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 82.8 | 152.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 190 | G | 33.7 | Very low | 35.9 | Very low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -171.7 | -174.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 191 | L | 34.3 | Very low | 36 | Very low | 180 Ų | 180 | 122.5 Ų | 122.5 | 94% | 0.942 | 78% | 0.778 | S | S | * | * | trans | 68.6 | 156.1 | -174.9 | -51.1 | -179.9 | 0 | 0 | 0 | 113.5 | ||||
| 192 | S | 32.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | cis | -161.7 | 164.7 | -24.9 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 193 | H | 32.9 | Very low | 37 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -5.3 | 122.9 | 167.2 | -61.4 | 80 | 0 | 0 | 0 | 120.4 | ||||
| 194 | G | 31.2 | Very low | 37.6 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | 99.7 | 132.4 | 103.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 195 | S | 31.8 | Very low | 37.9 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 97% | 0.972 | 79% | 0.788 | S | S | * | * | trans | 72.7 | 153 | 159 | -154.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 196 | G | 29.2 | Very low | 38.2 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 120.4 | 113 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 197 | N | 42.3 | Very low | 38.8 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -93.2 | 153.5 | 162.3 | -62.1 | -80.7 | 0 | 0 | 0 | 109.7 | ||||
| 198 | T | 32.7 | Very low | 38.8 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | 158.7 | 158 | 134.5 | 38.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 199 | V | 42.8 | Very low | 38.9 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | 58.9 | 100 | 168.9 | -62.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 200 | E | 42.8 | Very low | 39.3 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | cis | 80.5 | 24.6 | 28.2 | -44.3 | 154.4 | 86.4 | 0 | 0 | 115.6 | ||||
| 201 | A | 40.2 | Very low | 39.5 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -95.8 | -10.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 202 | L | 43.5 | Very low | 39.7 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -132.5 | 20.6 | -177.4 | -75.6 | 176.7 | 0 | 0 | 0 | 114.7 | ||
| 203 | S | 55.6 | Low | 39.6 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -94.6 | 6.1 | -173.6 | -163.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 204 | Q | 51.8 | Low | 39.5 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -123.7 | 17 | -164.2 | -61.9 | -166.6 | 2.9 | 0 | 0 | 116 | ||
| 205 | A | 41.3 | Very low | 39.9 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -104.3 | -6.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 206 | Y | 39.9 | Very low | 40.1 | Very low | 228 Ų | 228 | 132 Ų | 132 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -146.6 | 50.1 | -176.4 | -138.8 | -100.2 | 0 | 0 | 0 | 114.6 | G208 | Y206-G208 PolarHBondContact O-N 3.07Š| ||
| 207 | S | 43.6 | Very low | 40.5 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -72.3 | 102.4 | 166 | 37.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 208 | G | 37.2 | Very low | 40.6 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -133.7 | 16.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y206 | Y206-G208 PolarHBondContact O-N 3.07Š| ||
| 209 | I | 43.8 | Very low | 40.6 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 52.1 | 83 | 162.8 | -54.6 | 166.8 | 0 | 0 | 0 | 116.3 | ||||
| 210 | Q | 41.1 | Very low | 40.6 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 67% | 0.673 | 81% | 0.81 | S | S | * | * | 32.7 | 122.7 | 121.5 | -58.6 | 167.5 | -0.2 | 0 | 0 | 119.8 | Y212 | Q210-Y212 HydrophobicContact CB-CE2 4.48Š| |||
| 211 | Q | 39.1 | Very low | 40.2 | Very low | 196 Ų | 196 | 143 Ų | 143 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -130.6 | 82.9 | 141.8 | -73.8 | -160.6 | -15.7 | 0 | 0 | 112.2 | ||||
| 212 | Y | 38.5 | Very low | 40.1 | Very low | 197 Ų | 197 | 145 Ų | 145 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 36.2 | 138.1 | 142.7 | -75.9 | -92.8 | 0 | 0 | 0 | 123.8 | Q210 | Q210-Y212 HydrophobicContact CB-CE2 4.48Š| ||
| 213 | A | 31.2 | Very low | 40.1 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 76.6 | 68.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 214 | A | 30.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -122.8 | 117.7 | 141 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 215 | A | 39.2 | Very low | 38.7 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -125.8 | 125.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 216 | A | 36.3 | Very low | 38.4 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | 46.5 | 107.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 217 | L | 37 | Very low | 38.6 | Very low | 170 Ų | 170 | 141 Ų | 141 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | -150.3 | 140.8 | 101.3 | -82.8 | -168.1 | 0 | 0 | 0 | 109.9 | |||||
| 218 | P | 43.9 | Very low | 38.9 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -89.2 | 125.5 | 174.3 | 33.6 | -30 | 0 | 0 | 0 | 110.7 | ||||
| 219 | N | 34.1 | Very low | 39.1 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -130.2 | 132.1 | 171.8 | -144.9 | 96.8 | 0 | 0 | 0 | 110.8 | ||||
| 220 | F | 40.9 | Very low | 38.8 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -56.9 | 136 | 174.9 | -95.2 | -117.3 | 0 | 0 | 0 | 110.9 | ||||
| 221 | Y | 35.7 | Very low | 38.9 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -149 | 141.1 | 152 | -155.4 | -103.4 | 0 | 0 | 0 | 112.3 | ||||
| 222 | N | 37.8 | Very low | 38.9 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -85.9 | 125.8 | 175.9 | 179 | -91.1 | 0 | 0 | 0 | 109.6 | S224 | N222-S224 PolarHBondContact O-N 3.1Š| ||
| 223 | Q | 43.3 | Very low | 39.1 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -76.2 | 93.2 | -177.5 | -176.6 | -170.5 | 91.6 | 0 | 0 | 111.5 | ||||
| 224 | S | 40.1 | Very low | 39.3 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | trans | -167.2 | 149.2 | 152.7 | -90.5 | 0 | 0 | 0 | 0 | 112.8 | N222 | N222-S224 PolarHBondContact O-N 3.1Š| ||
| 225 | L | 37 | Very low | 39.9 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 55.7 | 94.5 | 169.5 | -51.5 | -178.1 | 0 | 0 | 0 | 117.5 | ||||
| 226 | L | 36.9 | Very low | 40.2 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -158.9 | 77.2 | 138 | -139 | 76.7 | 0 | 0 | 0 | 112.5 | Q228 | L226-Q228 PolarHBondContact O-N 3.06Š| ||
| 227 | S | 43.9 | Very low | 41.2 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -73 | 109.7 | 168.8 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 228 | Q | 49.9 | Very low | 42.7 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 64.1 | 73.1 | 164.3 | -158.6 | -168.3 | 127.1 | 0 | 0 | 116.9 | L226 | L226-Q228 PolarHBondContact O-N 3.06Š|
| 229 | Q | 40.6 | Very low | 44.1 | Very low | 102 Ų | 102 | 125 Ų | 125 | 48% | 0.477 | 69% | 0.694 | S | S | . | * | trans | -131.1 | 98.6 | 142.6 | -160.4 | 163.9 | 7 | 0 | 0 | 111.9 | V231 N269 | Q229-V231 PolarHBondContact O-N 2.74Å; Q229-N269 PolarHBondContact NE2-OD1 2.88Å | ||
| 230 | N | 37.4 | Very low | 46.2 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 52% | 0.519 | 66% | 0.661 | S | S | . | * | trans | -73 | 90.3 | 173 | 178.5 | -74.8 | 0 | 0 | 0 | 109.9 | S232 K238 | N230-S232 VanDerWaalsContact C-N 3.27Å; N230-S232 PolarHBondContact ND2-OG 3.06Å; N230-S232 WeakPolarHBondContact OD1-CB 3.19Å; N230-S232 PolarHBondContact OD1-N 3.38Å; N230-S232 PolarHBondContact OD1-OG 2.91Å; N230-K238 PolarHBondContact O-NZ 2.77Å; N230-K238 PolarHBondContact OD1-NZ 3.34Å; N230-K238 VanDerWaalsContact OD1-NZ 3.13Å | ||
| 231 | V | 43.3 | Very low | 48.1 | Very low | 120 Ų | 120 | 111.6 Ų | 111.6 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | trans | -93.9 | 53.6 | 158.4 | -89.9 | 0 | 0 | 0 | 0 | 109.9 | Q229 A233 | Q229-V231 PolarHBondContact O-N 2.74Å; V231-A233 PolarHBondContact O-N 3.09Å | ||
| 232 | S | 40 | Very low | 50.3 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 51% | 0.51 | 63% | 0.631 | S | S | . | * | trans | -64.6 | 116.7 | 166.4 | -68.9 | 0 | 0 | 0 | 0 | 109.5 | N230 A234 | N230-S232 VanDerWaalsContact C-N 3.27Å; N230-S232 PolarHBondContact ND2-OG 3.06Å; N230-S232 WeakPolarHBondContact OD1-CB 3.19Å; N230-S232 PolarHBondContact OD1-N 3.38Å; N230-S232 PolarHBondContact OD1-OG 2.91Å; S232-A234 VanDerWaalsContact C-N 3.33Å; S232-A234 PolarHBondContact O-N 2.85Å | ||
| 233 | A | 42.7 | Very low | 52.5 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 93% | 0.934 | 61% | 0.609 | S | S | * | * | trans | -69.3 | 87 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V231 | V231-A233 PolarHBondContact O-N 3.09Š| ||
| 234 | A | 35.6 | Very low | 54.7 | Low | 71 Ų | 71 | 94.3 Ų | 94.3 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | trans | -145.6 | 137.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S232 S236 | S232-A234 VanDerWaalsContact C-N 3.33Å; S232-A234 PolarHBondContact O-N 2.85Å; A234-S236 PolarHBondContact O-N 2.99Å | ||
| 235 | G | 43 | Very low | 57.1 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 78% | 0.784 | 54% | 0.542 | S | S | * | . | trans | -69.7 | 14.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q237 | G235-Q237 PolarHBondContact O-N 3.45Š| ||
| 236 | S | 44.1 | Very low | 59.7 | Low | 93 Ų | 93 | 83.1 Ų | 83.1 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | trans | -69.1 | 120.7 | 175.8 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | A234 K238 | A234-S236 PolarHBondContact O-N 2.99Å; S236-K238 PolarHBondContact O-N 3.38Å | ||
| 237 | Q | 58.7 | Low | 62.4 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 40% | 0.402 | 48% | 0.476 | S | S | . | . | trans | -72 | 82.2 | 169.3 | -65.3 | -161.9 | -105.6 | 0 | 0 | 109.5 | G235 E239 K274 | G235-Q237 PolarHBondContact O-N 3.45Å; Q237-E239 PolarHBondContact O-N 3.18Å; Q237-K274 HydrophobicContact CG-CD 4.42Å | ||
| 238 | K | 68.3 | Low | 64.7 | Low | 88 Ų | 88 | 72.9 Ų | 72.9 | 38% | 0.383 | 44% | 0.436 | S | S | . | . | trans | -63.7 | 113.9 | 163.4 | 38.3 | -178.8 | 179.6 | 179.5 | 0 | 107.6 | N230 S236 I271 S272 | N230-K238 PolarHBondContact O-NZ 2.77Å; N230-K238 PolarHBondContact OD1-NZ 3.34Å; N230-K238 VanDerWaalsContact OD1-NZ 3.13Å; S236-K238 PolarHBondContact O-N 3.38Å; K238-I271 HydrophobicContact CB-CG2 3.82Å; K238-I271 HydrophobicContact CD-CG2 3.94Å; K238-I271 WeakPolarHBondContact CE-O 3.35Å; K238-I271 HydrophobicContact CG-CG2 3.65Å; K238-I271 VanDerWaalsContact O-CG2 3.28Å; K238-I271 WeakPolarHBondContact O-CG2 3.38Å; K238-S272 WeakPolarHBondContact O-CB 3.37Å | ||
| 239 | E | 73.9 | Confident | 66.6 | Low | 112 Ų | 112 | 67.8 Ų | 67.8 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | trans | -95.2 | 127.1 | 173.2 | -59.2 | -162.1 | 50.8 | 0 | 0 | 108.1 | Q237 K320 | Q237-E239 PolarHBondContact O-N 3.18Å; E239-K320 VanDerWaalsContact CD-NZ 3.28Å; E239-K320 IonicContact OE1-NZ 3.38Å; E239-K320 PolarHBondContact OE1-NZ 3.3Å; E239-K320 IonicContact OE2-NZ 2.59Å; E239-K320 PolarHBondContact OE2-NZ 3.36Å | ||
| 240 | G | 76.8 | Confident | 69 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | trans | -73.8 | -177.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N245 S291 | G240-N245 PolarHBondContact O-ND2 3.39Å; G240-S291 PolarHBondContact N-OG 3.41Å | ||
| 241 | P | 82.1 | Confident | 71.5 | Confident | 65 Ų | 65 | 63 Ų | 63 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -58.6 | 157.4 | -173.7 | 22.7 | -31.8 | 0 | 0 | 0 | 113.1 | G243 A244 N245 D293 | P241-G243 PolarHBondContact O-N 3.36Å; P241-A244 HydrophobicContact CG-CB 3.92Å; P241-A244 VanDerWaalsContact O-CB 3.31Å; P241-A244 WeakPolarHBondContact O-CB 3.22Å; P241-A244 PolarHBondContact O-N 2.86Å; P241-N245 PolarHBondContact O-ND2 3.25Å; P241-D293 VanDerWaalsContact CD-O 3.28Å; P241-D293 WeakPolarHBondContact CD-O 3.37Å; P241-D293 WeakPolarHBondContact CG-O 3.42Å |
| 242 | E | 81.5 | Confident | 73.6 | Confident | 138 Ų | 138 | 58.2 Ų | 58.2 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.2 | 176.1 | 67.4 | 179.8 | 104.2 | 0 | 0 | 111 | A244 | E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 2.97Å |
| 243 | G | 84.1 | Confident | 75.8 | Confident | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -2.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116 | P241 P295 S298 L319 | P241-G243 PolarHBondContact O-N 3.36Å; G243-P295 WeakPolarHBondContact O-CA 3.29Å; G243-P295 VanDerWaalsContact O-CB 3.31Å; G243-P295 WeakPolarHBondContact O-CB 3.45Å; G243-S298 PolarHBondContact O-OG 2.82Å; G243-L319 WeakPolarHBondContact O-CD1 3.42Å |
| 244 | A | 89.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -100.3 | 2.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P241 E242 Y292 | P241-A244 HydrophobicContact CG-CB 3.92Å; P241-A244 VanDerWaalsContact O-CB 3.31Å; P241-A244 WeakPolarHBondContact O-CB 3.22Å; P241-A244 PolarHBondContact O-N 2.86Å; E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 2.97Å; A244-Y292 WeakPolarHBondContact CB-O 3.41Å; A244-Y292 PolarHBondContact O-N 2.78Å |
| 245 | N | 91 | Very high | 80.3 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.7 | -171.9 | -71.5 | -91.9 | 0 | 0 | 0 | 110.9 | G240 P241 F289 S291 K320 | G240-N245 PolarHBondContact O-ND2 3.39Å; P241-N245 PolarHBondContact O-ND2 3.25Å; N245-F289 HydrophobicContact CB-CE2 4.08Å; N245-F289 HydrophobicContact CB-CZ 3.92Å; N245-F289 VanDerWaalsContact OD1-CZ 3.23Å; N245-F289 WeakPolarHBondContact OD1-CZ 3.19Å; N245-S291 WeakPolarHBondContact OD1-CB 3.22Å; N245-S291 PolarHBondContact OD1-OG 3.23Å; N245-K320 HydrophobicContact CB-CB 3.6Å; N245-K320 HydrophobicContact CB-CD 3.92Å; N245-K320 HydrophobicContact CB-CG 4.36Å; N245-K320 WeakPolarHBondContact O-CB 3.35Å; N245-K320 PolarHBondContact O-N 3.22Å |
| 246 | L | 91.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.4 | -172.2 | -59.3 | -175.1 | 0 | 0 | 0 | 113.1 | I248 F264 F289 V290 Y292 A301 I302 V317 Q318 L319 | L246-I248 HydrophobicContact CB-CD1 4.16Å; L246-F264 HydrophobicContact CD1-CD1 4.31Å; L246-F264 HydrophobicContact CD1-CE1 3.98Å; L246-F289 WeakPolarHBondContact O-CA 3.48Å; L246-F289 WeakPolarHBondContact O-CD2 3.23Å; L246-V290 WeakPolarHBondContact CA-O 3.3Å; L246-V290 HydrophobicContact CB-CB 4.43Å; L246-V290 PolarHBondContact N-O 3.44Å; L246-V290 PolarHBondContact O-N 2.79Å; L246-Y292 HydrophobicContact CD1-CD2 4.13Å; L246-Y292 HydrophobicContact CD1-CE2 3.69Å; L246-A301 HydrophobicContact CD1-CB 3.98Å; L246-I302 HydrophobicContact CD1-CG1 4.47Å; L246-I302 HydrophobicContact CD2-CD1 3.49Å; L246-I302 VanDerWaalsContact CD2-CD1 3.49Å; L246-I302 HydrophobicContact CD2-CG1 3.58Å; L246-V317 HydrophobicContact CB-CG1 4.41Å; L246-V317 HydrophobicContact CD1-CG1 3.9Å; L246-V317 HydrophobicContact CD2-CG1 4.5Å; L246-Q318 CarbonylContact C-O 3.55Å; L246-Q318 WeakPolarHBondContact CA-O 3.35Å; L246-L319 HydrophobicContact CD2-CD1 4.09Å |
| 247 | F | 92.3 | Very high | 84.6 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 26% | 0.263 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.8 | 162.7 | -74.6 | -64.4 | 0 | 0 | 0 | 111 | Y249 F289 V317 Q318 K320 | F247-Y249 HydrophobicContact CB-CD2 4.34Å; F247-Y249 HydrophobicContact CB-CE2 3.48Å; F247-Y249 VanDerWaalsContact CB-CE2 3.48Å; F247-Y249 HydrophobicContact CG-CE2 4.38Å; F247-F289 AromaticContact CD1-CD2 3.89Å; F247-F289 HydrophobicContact CD1-CD2 3.89Å; F247-F289 AromaticContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CZ-CD2 4.46Å; F247-V317 WeakPolarHBondContact O-CA 3.43Å; F247-Q318 PolarHBondContact N-O 2.92Å; F247-Q318 PolarHBondContact O-N 2.81Å; F247-K320 HydrophobicContact CD2-CB 4.29Å; F247-K320 HydrophobicContact CD2-CG 4.12Å; F247-K320 HydrophobicContact CE2-CB 4.21Å; F247-K320 HydrophobicContact CE2-CG 3.55Å; F247-K320 HydrophobicContact CZ-CG 4.01Å |
| 248 | I | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.6 | 177.8 | -54.6 | 75.4 | 0 | 0 | 0 | 108.4 | L246 L251 L260 F264 F287 G288 V290 K316 V317 | L246-I248 HydrophobicContact CB-CD1 4.16Å; I248-L251 HydrophobicContact CB-CD1 4.28Å; I248-L251 HydrophobicContact CG2-CD1 4.08Å; I248-L251 HydrophobicContact CG2-CD2 3.85Å; I248-L251 HydrophobicContact CG2-CG 3.82Å; I248-L260 HydrophobicContact CG1-CD1 4.29Å; I248-F264 HydrophobicContact CD1-CE1 4.38Å; I248-F264 HydrophobicContact CD1-CZ 4.1Å; I248-F264 HydrophobicContact CG1-CE1 4.16Å; I248-F264 HydrophobicContact CG1-CE2 3.98Å; I248-F264 HydrophobicContact CG1-CZ 3.47Å; I248-F264 VanDerWaalsContact CG1-CZ 3.47Å; I248-F287 CarbonylContact O-C 3.51Å; I248-F287 WeakPolarHBondContact O-CA 3.5Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; I248-G288 PolarHBondContact N-O 3.27Å; I248-G288 PolarHBondContact O-N 3.48Å; I248-V290 HydrophobicContact CD1-CB 3.84Å; I248-V290 HydrophobicContact CD1-CG2 3.59Å; I248-K316 WeakPolarHBondContact CA-O 3.19Å; I248-V317 HydrophobicContact CG1-CG1 4.34Å; I248-V317 HydrophobicContact CG1-CG2 4.22Å; I248-V317 HydrophobicContact CG2-CG2 4.26Å |
| 249 | Y | 91.6 | Very high | 87 | Confident | 82 Ų | 82 | 58 Ų | 58 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 159.5 | 179.1 | -57.3 | -98.6 | 0 | 0 | 0 | 111.3 | F247 L251 C286 F287 L315 K316 | F247-Y249 HydrophobicContact CB-CD2 4.34Å; F247-Y249 HydrophobicContact CB-CE2 3.48Å; F247-Y249 VanDerWaalsContact CB-CE2 3.48Å; F247-Y249 HydrophobicContact CG-CE2 4.38Å; Y249-L251 VanDerWaalsContact C-N 3.29Å; Y249-L251 PolarHBondContact O-N 3.12Å; Y249-C286 CarbonylContact C-O 3.47Å; Y249-F287 HydrophobicContact CD1-CB 4.04Å; Y249-L315 WeakPolarHBondContact O-CA 3.13Å; Y249-K316 PolarHBondContact N-O 3.07Å; Y249-K316 PolarHBondContact O-N 3.24Å |
| 250 | H | 89.9 | Confident | 87.8 | Confident | 100 Ų | 100 | 52.7 Ų | 52.7 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 65.2 | 22.3 | -177.7 | -44.4 | 149.7 | 0 | 0 | 0 | 115.4 | C286 K313 R314 | H250-C286 WeakPolarHBondContact CA-O 3.26Å; H250-C286 PolarHBondContact N-O 3.06Å; H250-K313 VanDerWaalsContact O-CE 3.29Å; H250-K313 WeakPolarHBondContact O-CE 3.5Å; H250-R314 WeakPolarHBondContact CB-O 3.28Å; H250-R314 PolarHBondContact ND1-O 2.91Å |
| 251 | L | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -52.4 | 150.3 | 171.6 | -71.9 | 162.1 | 0 | 0 | 0 | 111.2 | I248 Y249 F255 L260 M263 I275 C286 K313 L315 | I248-L251 HydrophobicContact CB-CD1 4.28Å; I248-L251 HydrophobicContact CG2-CD1 4.08Å; I248-L251 HydrophobicContact CG2-CD2 3.85Å; I248-L251 HydrophobicContact CG2-CG 3.82Å; Y249-L251 VanDerWaalsContact C-N 3.29Å; Y249-L251 PolarHBondContact O-N 3.12Å; L251-F255 HydrophobicContact CB-CB 4.45Å; L251-F255 HydrophobicContact CD2-CD1 3.81Å; L251-F255 HydrophobicContact CD2-CE1 4.39Å; L251-F255 HydrophobicContact CD2-CG 4.29Å; L251-L260 HydrophobicContact CD1-CD1 4.13Å; L251-L260 HydrophobicContact CD2-CD1 3.95Å; L251-M263 HydrophobicContact CD2-CE 4.3Å; L251-I275 HydrophobicContact CD1-CD1 3.86Å; L251-I275 HydrophobicContact CD1-CG1 4.11Å; L251-C286 PolarHBondContact N-O 2.98Å; L251-C286 VanDerWaalsContact O-CB 3.22Å; L251-C286 WeakPolarHBondContact O-CB 3.36Å; L251-C286 PolarHBondContact O-SG 2.94Å; L251-C286 VanDerWaalsContact O-SG 3.38Å; L251-K313 PolarHBondContact O-NZ 2.81Å; L251-L315 HydrophobicContact CD2-CD2 3.87Å; L251-L315 HydrophobicContact CG-CD2 4.26Å | ||
| 252 | P | 86.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | trans | -55.5 | 160.1 | 167.1 | -24.7 | 35.4 | 0 | 0 | 0 | 112 | E254 F255 I310 | P252-E254 PolarHBondContact O-N 3.16Å; P252-F255 HydrophobicContact CB-CD2 3.87Å; P252-F255 HydrophobicContact CG-CD2 3.54Å; P252-F255 HydrophobicContact CG-CE2 3.93Å; P252-F255 HydrophobicContact CG-CG 4.3Å; P252-I310 HydrophobicContact CG-CB 4.48Å; P252-I310 HydrophobicContact CG-CD1 3.76Å; P252-I310 HydrophobicContact CG-CG1 3.86Å; P252-I310 HydrophobicContact CG-CG2 3.84Å | ||
| 253 | Q | 86.8 | Confident | 89.1 | Confident | 112 Ų | 112 | 51.7 Ų | 51.7 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -30.9 | 173.2 | -173.7 | -179.4 | -70.4 | 0 | 0 | 111.6 | F255 L283 S284 | Q253-F255 VanDerWaalsContact C-N 3.33Å; Q253-L283 HydrophobicContact CG-CB 4.32Å; Q253-L283 HydrophobicContact CG-CG 4.1Å; Q253-L283 VanDerWaalsContact OE1-CD2 3.25Å; Q253-S284 VanDerWaalsContact O-CB 3.25Å; Q253-S284 WeakPolarHBondContact O-CB 3.28Å |
| 254 | E | 86.1 | Confident | 89.3 | Confident | 176 Ų | 176 | 50.6 Ų | 50.6 | 82% | 0.822 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.5 | -177.2 | -63.3 | 163.2 | 106.2 | 0 | 0 | 113.7 | P252 G256 | P252-E254 PolarHBondContact O-N 3.16Å; E254-G256 PolarHBondContact O-N 3.33Å |
| 255 | F | 86.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | trans | -73.8 | 122.3 | 177.9 | -103.8 | -116.6 | 0 | 0 | 0 | 111 | L251 P252 Q253 D259 M263 I275 I310 | L251-F255 HydrophobicContact CB-CB 4.45Å; L251-F255 HydrophobicContact CD2-CD1 3.81Å; L251-F255 HydrophobicContact CD2-CE1 4.39Å; L251-F255 HydrophobicContact CD2-CG 4.29Å; P252-F255 HydrophobicContact CB-CD2 3.87Å; P252-F255 HydrophobicContact CG-CD2 3.54Å; P252-F255 HydrophobicContact CG-CE2 3.93Å; P252-F255 HydrophobicContact CG-CG 4.3Å; Q253-F255 VanDerWaalsContact C-N 3.33Å; F255-D259 HydrophobicContact CD1-CB 3.74Å; F255-D259 HydrophobicContact CE1-CB 3.83Å; F255-D259 HydrophobicContact CG-CB 4.13Å; F255-D259 HydrophobicContact CZ-CB 4.3Å; F255-M263 HydrophobicContact CD1-CE 4.34Å; F255-M263 HydrophobicContact CE1-CE 3.5Å; F255-M263 VanDerWaalsContact CE1-CE 3.5Å; F255-M263 HydrophobicContact CE1-SD 3.67Å; F255-M263 HydrophobicContact CZ-CE 4.14Å; F255-M263 HydrophobicContact CZ-SD 3.77Å; F255-I275 HydrophobicContact CB-CD1 3.87Å; F255-I275 WeakPolarHBondContact O-CD1 3.39Å; F255-I310 HydrophobicContact CD2-CD1 4.42Å; F255-I310 HydrophobicContact CE2-CD1 3.48Å; F255-I310 VanDerWaalsContact CE2-CD1 3.48Å; F255-I310 HydrophobicContact CZ-CD1 3.73Å | ||
| 256 | G | 88.8 | Confident | 89.3 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | trans | -99.9 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E254 Q258 D259 L260 I275 | E254-G256 PolarHBondContact O-N 3.33Å; G256-Q258 PolarHBondContact O-N 3.08Å; G256-D259 WeakPolarHBondContact CA-OD2 3.24Å; G256-D259 PolarHBondContact N-OD2 2.82Å; G256-D259 PolarHBondContact O-N 3.3Å; G256-L260 PolarHBondContact O-N 2.86Å; G256-L260 VanDerWaalsContact O-N 3.11Å; G256-I275 WeakPolarHBondContact O-CD1 3.49Å | ||
| 257 | D | 88.8 | Confident | 89.1 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -32.8 | -179.8 | -48.9 | -102.2 | 0 | 0 | 0 | 112.3 | L261 K274 I275 | D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 PolarHBondContact O-N 3.37Å; D257-K274 VanDerWaalsContact OD1-CA 3.23Å; D257-K274 WeakPolarHBondContact OD1-CA 3.38Å; D257-K274 IonicContact OD1-NZ 3.8Å; D257-I275 PolarHBondContact OD1-N 3.1Å |
| 258 | Q | 89 | Confident | 88.9 | Confident | 121 Ų | 121 | 59.2 Ų | 59.2 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.7 | -44.6 | 176.9 | -80.4 | -67.2 | 109.5 | 0 | 0 | 112.7 | G256 L260 L261 Q262 | G256-Q258 PolarHBondContact O-N 3.08Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 3.09Å; Q258-L261 PolarHBondContact O-N 2.92Å; Q258-L261 VanDerWaalsContact O-N 3.17Å; Q258-Q262 WeakPolarHBondContact O-CB 3.08Å; Q258-Q262 PolarHBondContact O-N 3Å |
| 259 | D | 89.6 | Confident | 88.8 | Confident | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 176.9 | -48.2 | -79.1 | 0 | 0 | 0 | 110.6 | F255 G256 Q262 M263 | F255-D259 HydrophobicContact CD1-CB 3.74Å; F255-D259 HydrophobicContact CE1-CB 3.83Å; F255-D259 HydrophobicContact CG-CB 4.13Å; F255-D259 HydrophobicContact CZ-CB 4.3Å; G256-D259 WeakPolarHBondContact CA-OD2 3.24Å; G256-D259 PolarHBondContact N-OD2 2.82Å; G256-D259 PolarHBondContact O-N 3.3Å; D259-Q262 PolarHBondContact O-N 3.21Å; D259-M263 WeakPolarHBondContact O-CB 3.42Å; D259-M263 PolarHBondContact O-N 2.81Å |
| 260 | L | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -39.6 | 174.5 | -167.6 | 67.4 | 0 | 0 | 0 | 111.7 | I248 L251 G256 Q258 M263 F264 A273 I275 V290 | I248-L260 HydrophobicContact CG1-CD1 4.29Å; L251-L260 HydrophobicContact CD1-CD1 4.13Å; L251-L260 HydrophobicContact CD2-CD1 3.95Å; G256-L260 PolarHBondContact O-N 2.86Å; G256-L260 VanDerWaalsContact O-N 3.11Å; Q258-L260 VanDerWaalsContact C-N 3.28Å; Q258-L260 PolarHBondContact O-N 3.09Å; L260-M263 HydrophobicContact CD1-CE 4.37Å; L260-F264 HydrophobicContact CD1-CD2 3.91Å; L260-F264 HydrophobicContact CD1-CE2 3.67Å; L260-F264 HydrophobicContact CG-CD2 4.41Å; L260-F264 WeakPolarHBondContact O-CB 3.46Å; L260-F264 VanDerWaalsContact O-CD2 3.24Å; L260-F264 WeakPolarHBondContact O-CD2 3.49Å; L260-F264 PolarHBondContact O-N 2.87Å; L260-A273 HydrophobicContact CD2-CB 4.43Å; L260-I275 HydrophobicContact CB-CD1 4.12Å; L260-I275 HydrophobicContact CB-CG1 4.3Å; L260-I275 HydrophobicContact CD2-CD1 4.28Å; L260-I275 HydrophobicContact CD2-CG1 3.7Å; L260-V290 HydrophobicContact CD1-CG2 4.19Å; L260-V290 HydrophobicContact CD2-CG2 3.7Å; L260-V290 HydrophobicContact CG-CG2 3.64Å |
| 261 | L | 89.5 | Confident | 88.7 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -52.3 | 174.6 | -173.8 | 136.6 | 0 | 0 | 0 | 111.2 | D257 Q258 M263 F264 L265 V270 A273 | D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 PolarHBondContact O-N 3.37Å; Q258-L261 PolarHBondContact O-N 2.92Å; Q258-L261 VanDerWaalsContact O-N 3.17Å; L261-M263 VanDerWaalsContact C-N 3.32Å; L261-M263 PolarHBondContact O-N 2.91Å; L261-F264 PolarHBondContact O-N 3.47Å; L261-L265 HydrophobicContact CD2-CD1 3.82Å; L261-L265 HydrophobicContact CD2-CD2 4.29Å; L261-L265 HydrophobicContact CD2-CG 3.92Å; L261-L265 HydrophobicContact CG-CG 4.48Å; L261-L265 WeakPolarHBondContact O-CG 2.98Å; L261-L265 PolarHBondContact O-N 2.91Å; L261-V270 HydrophobicContact CD1-CB 4.43Å; L261-V270 HydrophobicContact CD1-CG1 4.05Å; L261-V270 HydrophobicContact CG-CB 4.41Å; L261-V270 HydrophobicContact CG-CG1 4.28Å; L261-A273 HydrophobicContact CB-CB 3.98Å; L261-A273 HydrophobicContact CD1-CB 4.42Å |
| 262 | Q | 89.5 | Confident | 88.5 | Confident | 120 Ų | 120 | 57 Ų | 57 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.7 | -38.7 | -179.7 | -77.8 | 175.3 | -127.4 | 0 | 0 | 112.9 | Q258 D259 F264 P266 | Q258-Q262 WeakPolarHBondContact O-CB 3.08Å; Q258-Q262 PolarHBondContact O-N 3Å; D259-Q262 PolarHBondContact O-N 3.21Å; Q262-F264 VanDerWaalsContact C-N 3.31Å; Q262-F264 PolarHBondContact O-N 3.49Å; Q262-P266 WeakPolarHBondContact O-CD 3.46Å |
| 263 | M | 87.8 | Confident | 88.7 | Confident | 36 Ų | 36 | 57 Ų | 57 | 18% | 0.177 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.2 | -25.1 | 176.8 | -172.5 | 169.3 | 73.6 | 0 | 0 | 113.1 | L251 F255 D259 L260 L261 F267 M305 L315 | L251-M263 HydrophobicContact CD2-CE 4.3Å; F255-M263 HydrophobicContact CD1-CE 4.34Å; F255-M263 HydrophobicContact CE1-CE 3.5Å; F255-M263 VanDerWaalsContact CE1-CE 3.5Å; F255-M263 HydrophobicContact CE1-SD 3.67Å; F255-M263 HydrophobicContact CZ-CE 4.14Å; F255-M263 HydrophobicContact CZ-SD 3.77Å; D259-M263 WeakPolarHBondContact O-CB 3.42Å; D259-M263 PolarHBondContact O-N 2.81Å; L260-M263 HydrophobicContact CD1-CE 4.37Å; L261-M263 VanDerWaalsContact C-N 3.32Å; L261-M263 PolarHBondContact O-N 2.91Å; M263-F267 WeakPolarHBondContact O-CE2 3.31Å; M263-M305 HydrophobicContact CE-CE 3.87Å; M263-M305 HydrophobicContact CG-CE 3.7Å; M263-M305 HydrophobicContact SD-CE 3.5Å; M263-M305 VanDerWaalsContact SD-CE 3.5Å; M263-L315 HydrophobicContact CE-CD1 3.72Å; M263-L315 HydrophobicContact SD-CD1 4.34Å |
| 264 | F | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -100.2 | -16.9 | -179 | -81.7 | -103.3 | 0 | 0 | 0 | 114.1 | L246 I248 L260 L261 Q262 P266 F267 V270 V290 Y292 A301 M305 V317 | L246-F264 HydrophobicContact CD1-CD1 4.31Å; L246-F264 HydrophobicContact CD1-CE1 3.98Å; I248-F264 HydrophobicContact CD1-CE1 4.38Å; I248-F264 HydrophobicContact CD1-CZ 4.1Å; I248-F264 HydrophobicContact CG1-CE1 4.16Å; I248-F264 HydrophobicContact CG1-CE2 3.98Å; I248-F264 HydrophobicContact CG1-CZ 3.47Å; I248-F264 VanDerWaalsContact CG1-CZ 3.47Å; L260-F264 HydrophobicContact CD1-CD2 3.91Å; L260-F264 HydrophobicContact CD1-CE2 3.67Å; L260-F264 HydrophobicContact CG-CD2 4.41Å; L260-F264 WeakPolarHBondContact O-CB 3.46Å; L260-F264 VanDerWaalsContact O-CD2 3.24Å; L260-F264 WeakPolarHBondContact O-CD2 3.49Å; L260-F264 PolarHBondContact O-N 2.87Å; L261-F264 PolarHBondContact O-N 3.47Å; Q262-F264 VanDerWaalsContact C-N 3.31Å; Q262-F264 PolarHBondContact O-N 3.49Å; F264-P266 VanDerWaalsContact C-CD 3.46Å; F264-F267 PolarHBondContact O-N 2.81Å; F264-V270 HydrophobicContact CB-CG2 3.93Å; F264-V290 HydrophobicContact CB-CG1 4.16Å; F264-V290 HydrophobicContact CB-CG2 4.48Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CG2 4.26Å; F264-V290 HydrophobicContact CD2-CG2 4.25Å; F264-V290 HydrophobicContact CG-CG1 4.24Å; F264-V290 HydrophobicContact CG-CG2 4.07Å; F264-Y292 WeakPolarHBondContact CB-OH 3.31Å; F264-Y292 HydrophobicContact CD1-CE2 4.11Å; F264-Y292 VanDerWaalsContact CD1-OH 3.28Å; F264-Y292 WeakPolarHBondContact CD1-OH 3.31Å; F264-Y292 PolarHBondContact O-OH 2.91Å; F264-A301 HydrophobicContact CD1-CB 4.02Å; F264-A301 HydrophobicContact CE1-CB 4.11Å; F264-M305 HydrophobicContact CZ-CB 4.23Å; F264-M305 HydrophobicContact CZ-CG 4.33Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 4.45Å; F264-V317 HydrophobicContact CZ-CG2 4.03Å |
| 265 | L | 88.8 | Confident | 89 | Confident | 77 Ų | 77 | 46.6 Ų | 46.6 | 40% | 0.403 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -49.9 | -44.6 | 171.7 | -82.2 | 179.2 | 0 | 0 | 0 | 115.8 | L261 F267 G268 | L261-L265 HydrophobicContact CD2-CD1 3.82Å; L261-L265 HydrophobicContact CD2-CD2 4.29Å; L261-L265 HydrophobicContact CD2-CG 3.92Å; L261-L265 HydrophobicContact CG-CG 4.48Å; L261-L265 WeakPolarHBondContact O-CG 2.98Å; L261-L265 PolarHBondContact O-N 2.91Å; L265-F267 PolarHBondContact O-N 2.74Å; L265-F267 VanDerWaalsContact O-N 3.14Å; L265-G268 PolarHBondContact O-N 2.92Å |
| 266 | P | 90.7 | Very high | 89.2 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 66% | 0.656 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -67.6 | -15.2 | -175.4 | 25.7 | -35.2 | 0 | 0 | 0 | 114.1 | Q262 F264 | Q262-P266 WeakPolarHBondContact O-CD 3.46Å; F264-P266 VanDerWaalsContact C-CD 3.46Å |
| 267 | F | 88.4 | Confident | 89.2 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 23% | 0.228 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -94.2 | -5.7 | 175.7 | -47.1 | -69.8 | 0 | 0 | 0 | 113.2 | M263 F264 L265 S297 A301 S304 M305 | M263-F267 WeakPolarHBondContact O-CE2 3.31Å; F264-F267 PolarHBondContact O-N 2.81Å; L265-F267 PolarHBondContact O-N 2.74Å; L265-F267 VanDerWaalsContact O-N 3.14Å; F267-S297 WeakPolarHBondContact O-CA 3.25Å; F267-S297 VanDerWaalsContact O-CB 3.29Å; F267-S297 WeakPolarHBondContact O-CB 3.44Å; F267-A301 HydrophobicContact CB-CB 3.75Å; F267-A301 HydrophobicContact CD2-CB 4.09Å; F267-A301 HydrophobicContact CG-CB 4.02Å; F267-S304 WeakPolarHBondContact CE1-OG 3.49Å; F267-M305 HydrophobicContact CD2-CG 4.2Å; F267-M305 HydrophobicContact CE2-CG 3.42Å; F267-M305 VanDerWaalsContact CE2-CG 3.42Å; F267-M305 HydrophobicContact CE2-SD 3.63Å; F267-M305 HydrophobicContact CZ-CG 3.78Å; F267-M305 HydrophobicContact CZ-SD 3.65Å |
| 268 | G | 87.6 | Confident | 89.2 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 150.9 | -176.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L265 V270 Y292 | L265-G268 PolarHBondContact O-N 2.92Å; G268-V270 PolarHBondContact O-N 3Å; G268-Y292 WeakPolarHBondContact O-CE1 3.4Å |
| 269 | N | 90.3 | Very high | 89 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | trans | -77.3 | 107.6 | -176.8 | 171 | 33.8 | 0 | 0 | 0 | 111.9 | Q229 I271 Y292 D293 | Q229-N269 PolarHBondContact NE2-OD1 2.88Å; N269-I271 PolarHBondContact O-N 2.78Å; N269-Y292 WeakPolarHBondContact O-CA 3.34Å; N269-Y292 WeakPolarHBondContact O-CD1 3.15Å; N269-D293 WeakPolarHBondContact CB-OD2 3.44Å; N269-D293 PolarHBondContact ND2-OD2 3.2Å; N269-D293 PolarHBondContact O-N 3.29Å | ||
| 270 | V | 90.8 | Very high | 88.9 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.6 | 179 | 177 | 0 | 0 | 0 | 0 | 110.2 | L261 F264 G268 A273 V290 S291 Y292 | L261-V270 HydrophobicContact CD1-CB 4.43Å; L261-V270 HydrophobicContact CD1-CG1 4.05Å; L261-V270 HydrophobicContact CG-CB 4.41Å; L261-V270 HydrophobicContact CG-CG1 4.28Å; F264-V270 HydrophobicContact CB-CG2 3.93Å; G268-V270 PolarHBondContact O-N 3Å; V270-A273 HydrophobicContact CG1-CB 4.25Å; V270-V290 HydrophobicContact CG1-CG1 4.05Å; V270-V290 HydrophobicContact CG2-CG1 4.18Å; V270-S291 CarbonylContact C-O 3.6Å; V270-Y292 HydrophobicContact CG2-CD1 4.25Å; V270-Y292 HydrophobicContact CG2-CE1 3.73Å |
| 271 | I | 89.8 | Confident | 88.8 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -40.8 | 173.2 | -75.7 | -172.4 | 0 | 0 | 0 | 111.4 | K238 N269 S291 D293 | K238-I271 HydrophobicContact CB-CG2 3.82Å; K238-I271 HydrophobicContact CD-CG2 3.94Å; K238-I271 WeakPolarHBondContact CE-O 3.35Å; K238-I271 HydrophobicContact CG-CG2 3.65Å; K238-I271 VanDerWaalsContact O-CG2 3.28Å; K238-I271 WeakPolarHBondContact O-CG2 3.38Å; N269-I271 PolarHBondContact O-N 2.78Å; I271-S291 PolarHBondContact N-O 2.95Å; I271-D293 VanDerWaalsContact CD1-CA 3.45Å; I271-D293 HydrophobicContact CD1-CB 3.71Å; I271-D293 HydrophobicContact CG1-CB 3.96Å |
| 272 | S | 84.3 | Confident | 88.5 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 12% | 0.119 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 133 | 179 | -170 | 0 | 0 | 0 | 0 | 111.5 | K238 V290 S291 | K238-S272 WeakPolarHBondContact O-CB 3.37Å; S272-V290 CarbonylContact O-C 3.58Å; S272-V290 WeakPolarHBondContact O-CA 3.5Å; S272-S291 PolarHBondContact N-O 2.96Å; S272-S291 PolarHBondContact O-N 3.44Å |
| 273 | A | 90.9 | Very high | 88.2 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 13% | 0.132 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L260 L261 V270 F289 V290 | L260-A273 HydrophobicContact CD2-CB 4.43Å; L261-A273 HydrophobicContact CB-CB 3.98Å; L261-A273 HydrophobicContact CD1-CB 4.42Å; V270-A273 HydrophobicContact CG1-CB 4.25Å; A273-F289 CarbonylContact C-O 3.56Å; A273-F289 WeakPolarHBondContact CA-O 3.28Å; A273-V290 HydrophobicContact CB-CG2 4.41Å |
| 274 | K | 89.1 | Confident | 88.2 | Confident | 61 Ų | 61 | 64 Ų | 64 | 27% | 0.265 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 126.2 | 172.7 | 177.7 | 156.6 | -62.9 | -44.4 | 0 | 112.2 | Q237 D257 F276 G288 F289 | Q237-K274 HydrophobicContact CG-CD 4.42Å; D257-K274 VanDerWaalsContact OD1-CA 3.23Å; D257-K274 WeakPolarHBondContact OD1-CA 3.38Å; D257-K274 IonicContact OD1-NZ 3.8Å; K274-F276 HydrophobicContact CG-CE2 4.49Å; K274-G288 CarbonylContact O-C 3.55Å; K274-G288 WeakPolarHBondContact O-CA 3.24Å; K274-F289 PolarHBondContact N-O 3.03Å; K274-F289 PolarHBondContact O-N 3.12Å |
| 275 | I | 91.1 | Very high | 88 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 5% | 0.046 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 145.4 | 166.9 | -70.6 | -173.4 | 0 | 0 | 0 | 109.9 | L251 F255 G256 D257 L260 I277 S284 | L251-I275 HydrophobicContact CD1-CD1 3.86Å; L251-I275 HydrophobicContact CD1-CG1 4.11Å; F255-I275 HydrophobicContact CB-CD1 3.87Å; F255-I275 WeakPolarHBondContact O-CD1 3.39Å; G256-I275 WeakPolarHBondContact O-CD1 3.49Å; D257-I275 PolarHBondContact OD1-N 3.1Å; L260-I275 HydrophobicContact CB-CD1 4.12Å; L260-I275 HydrophobicContact CB-CG1 4.3Å; L260-I275 HydrophobicContact CD2-CD1 4.28Å; L260-I275 HydrophobicContact CD2-CG1 3.7Å; I275-I277 HydrophobicContact CG2-CG1 4.4Å; I275-S284 WeakPolarHBondContact CG2-OG 3.06Å |
| 276 | F | 89.3 | Confident | 87.9 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.6 | 174 | -71.3 | -95.2 | 0 | 0 | 0 | 109.5 | K274 K285 F287 F289 | K274-F276 HydrophobicContact CG-CE2 4.49Å; F276-K285 HydrophobicContact CB-CD 4.28Å; F276-K285 VanDerWaalsContact O-CB 3.22Å; F276-K285 WeakPolarHBondContact O-CB 3.4Å; F276-K285 VanDerWaalsContact O-CG 3.3Å; F276-K285 WeakPolarHBondContact O-CG 3.49Å; F276-K285 PolarHBondContact O-N 3.36Å; F276-F287 HydrophobicContact CB-CD2 4.07Å; F276-F287 HydrophobicContact CB-CE1 4.39Å; F276-F287 HydrophobicContact CB-CE2 3.52Å; F276-F287 HydrophobicContact CB-CZ 3.7Å; F276-F287 HydrophobicContact CD1-CE2 4.25Å; F276-F287 AromaticContact CD2-CD2 3.76Å; F276-F287 HydrophobicContact CD2-CD2 3.76Å; F276-F287 AromaticContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CE2 3.4Å; F276-F287 VanDerWaalsContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CZ 4.37Å; F276-F287 HydrophobicContact CE2-CE2 4.18Å; F276-F287 HydrophobicContact CG-CD2 4.15Å; F276-F287 AromaticContact CG-CE2 3.45Å; F276-F287 HydrophobicContact CG-CE2 3.45Å; F276-F287 VanDerWaalsContact CG-CE2 3.45Å; F276-F287 AromaticContact CG-CZ 3.98Å; F276-F287 HydrophobicContact CG-CZ 3.98Å; F276-F287 PolarHBondContact N-O 3.24Å; F276-F287 VanDerWaalsContact N-O 3.1Å; F276-F289 HydrophobicContact CE2-CB 4.4Å |
| 277 | I | 89.1 | Confident | 88 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 45% | 0.446 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.9 | 178.8 | -60 | 178.5 | 0 | 0 | 0 | 108.6 | I275 K279 N282 L283 | I275-I277 HydrophobicContact CG2-CG1 4.4Å; I277-K279 PolarHBondContact O-N 3.44Å; I277-N282 WeakPolarHBondContact CG2-O 3.42Å; I277-L283 WeakPolarHBondContact CG2-O 3.39Å |
| 278 | D | 89.5 | Confident | 88.2 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | trans | -78.9 | 116.7 | 174.2 | -162.2 | -59.2 | 0 | 0 | 0 | 110.1 | Q280 T281 N282 L283 K285 | D278-Q280 PolarHBondContact O-N 3Å; D278-Q280 VanDerWaalsContact O-N 3.12Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.36Å; D278-Q280 PolarHBondContact OD1-N 3.44Å; D278-T281 PolarHBondContact O-N 2.88Å; D278-N282 VanDerWaalsContact O-CA 3.28Å; D278-N282 WeakPolarHBondContact O-CA 3.19Å; D278-N282 PolarHBondContact O-N 2.91Å; D278-L283 PolarHBondContact N-O 3.38Å; D278-K285 HydrophobicContact CB-CD 4.36Å; D278-K285 HydrophobicContact CB-CG 4.02Å | ||
| 279 | K | 84.8 | Confident | 88.4 | Confident | 195 Ų | 195 | 61.5 Ų | 61.5 | 85% | 0.848 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.4 | -175.4 | -168.6 | 169.6 | 179.7 | 175.5 | 0 | 114.1 | I277 | I277-K279 PolarHBondContact O-N 3.44Š|
| 280 | Q | 86.8 | Confident | 88.4 | Confident | 173 Ų | 173 | 58.7 Ų | 58.7 | 81% | 0.808 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -30.5 | 177.6 | -61.7 | 176.1 | 115.1 | 0 | 0 | 112.9 | D278 | D278-Q280 PolarHBondContact O-N 3Å; D278-Q280 VanDerWaalsContact O-N 3.12Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.36Å; D278-Q280 PolarHBondContact OD1-N 3.44Å |
| 281 | T | 87.6 | Confident | 88.4 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -14.6 | -174.3 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | D278 L283 | D278-T281 PolarHBondContact O-N 2.88Å; T281-L283 VanDerWaalsContact O-CD1 3.23Å; T281-L283 WeakPolarHBondContact O-CD1 3.23Å; T281-L283 PolarHBondContact O-N 2.86Å; T281-L283 PolarHBondContact OG1-N 2.59Å |
| 282 | N | 83.9 | Confident | 88.5 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | trans | 58.5 | 15.2 | -168.9 | -62 | -75.6 | 0 | 0 | 0 | 114.9 | I277 D278 | I277-N282 WeakPolarHBondContact CG2-O 3.42Å; D278-N282 VanDerWaalsContact O-CA 3.28Å; D278-N282 WeakPolarHBondContact O-CA 3.19Å; D278-N282 PolarHBondContact O-N 2.91Å | ||
| 283 | L | 83.6 | Confident | 88.8 | Confident | 76 Ų | 76 | 58 Ų | 58 | 40% | 0.398 | 29% | 0.288 | S | S | . | . | trans | -81.5 | 138.6 | 171.3 | -84.5 | 59.1 | 0 | 0 | 0 | 110.5 | Q253 I277 D278 T281 K285 | Q253-L283 HydrophobicContact CG-CB 4.32Å; Q253-L283 HydrophobicContact CG-CG 4.1Å; Q253-L283 VanDerWaalsContact OE1-CD2 3.25Å; I277-L283 WeakPolarHBondContact CG2-O 3.39Å; D278-L283 PolarHBondContact N-O 3.38Å; T281-L283 VanDerWaalsContact O-CD1 3.23Å; T281-L283 WeakPolarHBondContact O-CD1 3.23Å; T281-L283 PolarHBondContact O-N 2.86Å; T281-L283 PolarHBondContact OG1-N 2.59Å; L283-K285 PolarHBondContact O-N 3Å | ||
| 284 | S | 86.2 | Confident | 88.8 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 130.8 | 169.4 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | Q253 I275 C286 | Q253-S284 VanDerWaalsContact O-CB 3.25Å; Q253-S284 WeakPolarHBondContact O-CB 3.28Å; I275-S284 WeakPolarHBondContact CG2-OG 3.06Å; S284-C286 PolarHBondContact O-N 3.3Å; S284-C286 PolarHBondContact O-SG 3Å; S284-C286 PolarHBondContact OG-N 2.94Å |
| 285 | K | 85.4 | Confident | 88.8 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 8.1 | 177.3 | -54.5 | -173.4 | 75.9 | 173.5 | 0 | 112.5 | F276 D278 L283 F287 | F276-K285 HydrophobicContact CB-CD 4.28Å; F276-K285 VanDerWaalsContact O-CB 3.22Å; F276-K285 WeakPolarHBondContact O-CB 3.4Å; F276-K285 VanDerWaalsContact O-CG 3.3Å; F276-K285 WeakPolarHBondContact O-CG 3.49Å; F276-K285 PolarHBondContact O-N 3.36Å; D278-K285 HydrophobicContact CB-CD 4.36Å; D278-K285 HydrophobicContact CB-CG 4.02Å; L283-K285 PolarHBondContact O-N 3Å; K285-F287 HydrophobicContact CB-CD1 3.7Å; K285-F287 HydrophobicContact CB-CE1 3.51Å; K285-F287 HydrophobicContact CB-CZ 4.36Å; K285-F287 HydrophobicContact CD-CE1 4.01Å; K285-F287 HydrophobicContact CD-CZ 4.26Å; K285-F287 HydrophobicContact CG-CE1 4.37Å; K285-F287 WeakPolarHBondContact O-CD1 3.37Å; K285-F287 PolarHBondContact O-N 3.37Å |
| 286 | C | 88 | Confident | 88.9 | Confident | 30 Ų | 30 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.2 | 22.5 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 113.4 | Y249 H250 L251 S284 K313 | Y249-C286 CarbonylContact C-O 3.47Å; H250-C286 WeakPolarHBondContact CA-O 3.26Å; H250-C286 PolarHBondContact N-O 3.06Å; L251-C286 PolarHBondContact N-O 2.98Å; L251-C286 VanDerWaalsContact O-CB 3.22Å; L251-C286 WeakPolarHBondContact O-CB 3.36Å; L251-C286 PolarHBondContact O-SG 2.94Å; L251-C286 VanDerWaalsContact O-SG 3.38Å; S284-C286 PolarHBondContact O-N 3.3Å; S284-C286 PolarHBondContact O-SG 3Å; S284-C286 PolarHBondContact OG-N 2.94Å; C286-K313 PolarHBondContact SG-NZ 3.13Å |
| 287 | F | 91.6 | Very high | 89 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 27% | 0.272 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.9 | 171.8 | 73.5 | -98.3 | 0 | 0 | 0 | 111.8 | I248 Y249 F276 K285 | I248-F287 CarbonylContact O-C 3.51Å; I248-F287 WeakPolarHBondContact O-CA 3.5Å; I248-F287 WeakPolarHBondContact O-CB 3.41Å; Y249-F287 HydrophobicContact CD1-CB 4.04Å; F276-F287 HydrophobicContact CB-CD2 4.07Å; F276-F287 HydrophobicContact CB-CE1 4.39Å; F276-F287 HydrophobicContact CB-CE2 3.52Å; F276-F287 HydrophobicContact CB-CZ 3.7Å; F276-F287 HydrophobicContact CD1-CE2 4.25Å; F276-F287 AromaticContact CD2-CD2 3.76Å; F276-F287 HydrophobicContact CD2-CD2 3.76Å; F276-F287 AromaticContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CE2 3.4Å; F276-F287 VanDerWaalsContact CD2-CE2 3.4Å; F276-F287 HydrophobicContact CD2-CZ 4.37Å; F276-F287 HydrophobicContact CE2-CE2 4.18Å; F276-F287 HydrophobicContact CG-CD2 4.15Å; F276-F287 AromaticContact CG-CE2 3.45Å; F276-F287 HydrophobicContact CG-CE2 3.45Å; F276-F287 VanDerWaalsContact CG-CE2 3.45Å; F276-F287 AromaticContact CG-CZ 3.98Å; F276-F287 HydrophobicContact CG-CZ 3.98Å; F276-F287 PolarHBondContact N-O 3.24Å; F276-F287 VanDerWaalsContact N-O 3.1Å; K285-F287 HydrophobicContact CB-CD1 3.7Å; K285-F287 HydrophobicContact CB-CE1 3.51Å; K285-F287 HydrophobicContact CB-CZ 4.36Å; K285-F287 HydrophobicContact CD-CE1 4.01Å; K285-F287 HydrophobicContact CD-CZ 4.26Å; K285-F287 HydrophobicContact CG-CE1 4.37Å; K285-F287 WeakPolarHBondContact O-CD1 3.37Å; K285-F287 PolarHBondContact O-N 3.37Å |
| 288 | G | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I248 K274 | I248-G288 PolarHBondContact N-O 3.27Å; I248-G288 PolarHBondContact O-N 3.48Å; K274-G288 CarbonylContact O-C 3.55Å; K274-G288 WeakPolarHBondContact O-CA 3.24Å |
| 289 | F | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.5 | -177.5 | -178.6 | -107.2 | 0 | 0 | 0 | 108.9 | N245 L246 F247 A273 K274 F276 K320 | N245-F289 HydrophobicContact CB-CE2 4.08Å; N245-F289 HydrophobicContact CB-CZ 3.92Å; N245-F289 VanDerWaalsContact OD1-CZ 3.23Å; N245-F289 WeakPolarHBondContact OD1-CZ 3.19Å; L246-F289 WeakPolarHBondContact O-CA 3.48Å; L246-F289 WeakPolarHBondContact O-CD2 3.23Å; F247-F289 AromaticContact CD1-CD2 3.89Å; F247-F289 HydrophobicContact CD1-CD2 3.89Å; F247-F289 AromaticContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CE1-CD2 3.85Å; F247-F289 HydrophobicContact CZ-CD2 4.46Å; A273-F289 CarbonylContact C-O 3.56Å; A273-F289 WeakPolarHBondContact CA-O 3.28Å; K274-F289 PolarHBondContact N-O 3.03Å; K274-F289 PolarHBondContact O-N 3.12Å; F276-F289 HydrophobicContact CE2-CB 4.4Å; F289-K320 HydrophobicContact CE2-CB 4.12Å; F289-K320 HydrophobicContact CE2-CD 3.53Å; F289-K320 HydrophobicContact CE2-CG 3.89Å; F289-K320 HydrophobicContact CZ-CD 3.84Å; F289-K320 VanDerWaalsContact CZ-NZ 3.26Å |
| 290 | V | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.9 | 173.3 | 172.8 | 0 | 0 | 0 | 0 | 108 | L246 I248 L260 F264 V270 S272 A273 Y292 | L246-V290 WeakPolarHBondContact CA-O 3.3Å; L246-V290 HydrophobicContact CB-CB 4.43Å; L246-V290 PolarHBondContact N-O 3.44Å; L246-V290 PolarHBondContact O-N 2.79Å; I248-V290 HydrophobicContact CD1-CB 3.84Å; I248-V290 HydrophobicContact CD1-CG2 3.59Å; L260-V290 HydrophobicContact CD1-CG2 4.19Å; L260-V290 HydrophobicContact CD2-CG2 3.7Å; L260-V290 HydrophobicContact CG-CG2 3.64Å; F264-V290 HydrophobicContact CB-CG1 4.16Å; F264-V290 HydrophobicContact CB-CG2 4.48Å; F264-V290 HydrophobicContact CD1-CB 4.39Å; F264-V290 HydrophobicContact CD1-CG1 4.07Å; F264-V290 HydrophobicContact CD1-CG2 4.26Å; F264-V290 HydrophobicContact CD2-CG2 4.25Å; F264-V290 HydrophobicContact CG-CG1 4.24Å; F264-V290 HydrophobicContact CG-CG2 4.07Å; V270-V290 HydrophobicContact CG1-CG1 4.05Å; V270-V290 HydrophobicContact CG2-CG1 4.18Å; S272-V290 CarbonylContact O-C 3.58Å; S272-V290 WeakPolarHBondContact O-CA 3.5Å; A273-V290 HydrophobicContact CB-CG2 4.41Å; V290-Y292 HydrophobicContact CG1-CD2 4.19Å; V290-Y292 HydrophobicContact CG1-CE2 3.88Å |
| 291 | S | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.3 | 172.7 | -177 | 0 | 0 | 0 | 0 | 109.2 | G240 N245 V270 I271 S272 | G240-S291 PolarHBondContact N-OG 3.41Å; N245-S291 WeakPolarHBondContact OD1-CB 3.22Å; N245-S291 PolarHBondContact OD1-OG 3.23Å; V270-S291 CarbonylContact C-O 3.6Å; I271-S291 PolarHBondContact N-O 2.95Å; S272-S291 PolarHBondContact N-O 2.96Å; S272-S291 PolarHBondContact O-N 3.44Å |
| 292 | Y | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 166.7 | 169.6 | -74.5 | -81.2 | 0 | 0 | 0 | 111.5 | A244 L246 F264 G268 N269 V270 V290 A301 | A244-Y292 WeakPolarHBondContact CB-O 3.41Å; A244-Y292 PolarHBondContact O-N 2.78Å; L246-Y292 HydrophobicContact CD1-CD2 4.13Å; L246-Y292 HydrophobicContact CD1-CE2 3.69Å; F264-Y292 WeakPolarHBondContact CB-OH 3.31Å; F264-Y292 HydrophobicContact CD1-CE2 4.11Å; F264-Y292 VanDerWaalsContact CD1-OH 3.28Å; F264-Y292 WeakPolarHBondContact CD1-OH 3.31Å; F264-Y292 PolarHBondContact O-OH 2.91Å; G268-Y292 WeakPolarHBondContact O-CE1 3.4Å; N269-Y292 WeakPolarHBondContact O-CA 3.34Å; N269-Y292 WeakPolarHBondContact O-CD1 3.15Å; V270-Y292 HydrophobicContact CG2-CD1 4.25Å; V270-Y292 HydrophobicContact CG2-CE1 3.73Å; V290-Y292 HydrophobicContact CG1-CD2 4.19Å; V290-Y292 HydrophobicContact CG1-CE2 3.88Å; Y292-A301 HydrophobicContact CE2-CB 3.74Å; Y292-A301 WeakPolarHBondContact OH-CB 3.36Å |
| 293 | D | 90.8 | Very high | 90.4 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -75.2 | -29.1 | 165.4 | 61.9 | -11.5 | 0 | 0 | 0 | 113.4 | P241 N269 I271 | P241-D293 VanDerWaalsContact CD-O 3.28Å; P241-D293 WeakPolarHBondContact CD-O 3.37Å; P241-D293 WeakPolarHBondContact CG-O 3.42Å; N269-D293 WeakPolarHBondContact CB-OD2 3.44Å; N269-D293 PolarHBondContact ND2-OD2 3.2Å; N269-D293 PolarHBondContact O-N 3.29Å; I271-D293 VanDerWaalsContact CD1-CA 3.45Å; I271-D293 HydrophobicContact CD1-CB 3.71Å; I271-D293 HydrophobicContact CG1-CB 3.96Å |
| 294 | N | 90.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | trans | -126.4 | 131.2 | -172.3 | -171.5 | -29.2 | 0 | 0 | 0 | 111.7 | V296 S297 S298 | N294-V296 PolarHBondContact O-N 3.11Å; N294-V296 WeakPolarHBondContact OD1-CB 3.28Å; N294-V296 WeakPolarHBondContact OD1-CG2 3.44Å; N294-V296 PolarHBondContact OD1-N 3.3Å; N294-S297 WeakPolarHBondContact O-CB 3.23Å; N294-S297 PolarHBondContact O-N 2.83Å; N294-S298 PolarHBondContact O-N 2.95Å | ||
| 295 | P | 89.9 | Confident | 90.9 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 31% | 0.305 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.8 | -33.8 | 175.2 | 23.3 | -34.5 | 0 | 0 | 0 | 113.5 | G243 S298 Q299 | G243-P295 WeakPolarHBondContact O-CA 3.29Å; G243-P295 VanDerWaalsContact O-CB 3.31Å; G243-P295 WeakPolarHBondContact O-CB 3.45Å; P295-S298 WeakPolarHBondContact O-CB 3.2Å; P295-S298 PolarHBondContact O-N 3.33Å; P295-S298 PolarHBondContact O-OG 2.89Å; P295-Q299 WeakPolarHBondContact O-CG 3.29Å; P295-Q299 PolarHBondContact O-N 2.79Å |
| 296 | V | 92.4 | Very high | 91.2 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 58% | 0.576 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.9 | -47 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | N294 S298 Q299 A300 | N294-V296 PolarHBondContact O-N 3.11Å; N294-V296 WeakPolarHBondContact OD1-CB 3.28Å; N294-V296 WeakPolarHBondContact OD1-CG2 3.44Å; N294-V296 PolarHBondContact OD1-N 3.3Å; V296-S298 VanDerWaalsContact C-N 3.27Å; V296-S298 PolarHBondContact O-N 3.29Å; V296-Q299 PolarHBondContact O-N 3.23Å; V296-Q299 VanDerWaalsContact O-N 3.12Å; V296-A300 PolarHBondContact O-N 3.2Å |
| 297 | S | 91.4 | Very high | 91.2 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -42.3 | 174.6 | -55 | 0 | 0 | 0 | 0 | 111.7 | F267 N294 Q299 A300 A301 | F267-S297 WeakPolarHBondContact O-CA 3.25Å; F267-S297 VanDerWaalsContact O-CB 3.29Å; F267-S297 WeakPolarHBondContact O-CB 3.44Å; N294-S297 WeakPolarHBondContact O-CB 3.23Å; N294-S297 PolarHBondContact O-N 2.83Å; S297-Q299 VanDerWaalsContact C-N 3.34Å; S297-Q299 PolarHBondContact O-N 2.77Å; S297-A300 PolarHBondContact O-N 2.84Å; S297-A301 WeakPolarHBondContact O-CB 3.16Å; S297-A301 PolarHBondContact O-N 2.89Å |
| 298 | S | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -34.3 | 178.4 | 90.7 | 0 | 0 | 0 | 0 | 112.9 | G243 N294 P295 V296 I302 | G243-S298 PolarHBondContact O-OG 2.82Å; N294-S298 PolarHBondContact O-N 2.95Å; P295-S298 WeakPolarHBondContact O-CB 3.2Å; P295-S298 PolarHBondContact O-N 3.33Å; P295-S298 PolarHBondContact O-OG 2.89Å; V296-S298 VanDerWaalsContact C-N 3.27Å; V296-S298 PolarHBondContact O-N 3.29Å; S298-I302 VanDerWaalsContact O-CG1 3.31Å; S298-I302 WeakPolarHBondContact O-CG1 3.41Å; S298-I302 PolarHBondContact O-N 3.35Å |
| 299 | Q | 92.1 | Very high | 90.9 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71 | -41.6 | 175.3 | -71.1 | -178.8 | -1.4 | 0 | 0 | 111.8 | P295 V296 S297 A301 I302 Q303 | P295-Q299 WeakPolarHBondContact O-CG 3.29Å; P295-Q299 PolarHBondContact O-N 2.79Å; V296-Q299 PolarHBondContact O-N 3.23Å; V296-Q299 VanDerWaalsContact O-N 3.12Å; S297-Q299 VanDerWaalsContact C-N 3.34Å; S297-Q299 PolarHBondContact O-N 2.77Å; Q299-A301 VanDerWaalsContact C-N 3.33Å; Q299-A301 PolarHBondContact O-N 2.78Å; Q299-I302 PolarHBondContact O-N 2.85Å; Q299-Q303 WeakPolarHBondContact O-CG 3.34Å; Q299-Q303 PolarHBondContact O-N 3.47Å |
| 300 | A | 92 | Very high | 90.6 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V296 S297 Q303 S304 | V296-A300 PolarHBondContact O-N 3.2Å; S297-A300 PolarHBondContact O-N 2.84Å; A300-Q303 PolarHBondContact O-N 3.06Å; A300-S304 WeakPolarHBondContact O-CB 3.44Å; A300-S304 PolarHBondContact O-N 3.26Å; A300-S304 PolarHBondContact O-OG 3.39Å |
| 301 | A | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L246 F264 F267 Y292 S297 Q299 M305 | L246-A301 HydrophobicContact CD1-CB 3.98Å; F264-A301 HydrophobicContact CD1-CB 4.02Å; F264-A301 HydrophobicContact CE1-CB 4.11Å; F267-A301 HydrophobicContact CB-CB 3.75Å; F267-A301 HydrophobicContact CD2-CB 4.09Å; F267-A301 HydrophobicContact CG-CB 4.02Å; Y292-A301 HydrophobicContact CE2-CB 3.74Å; Y292-A301 WeakPolarHBondContact OH-CB 3.36Å; S297-A301 WeakPolarHBondContact O-CB 3.16Å; S297-A301 PolarHBondContact O-N 2.89Å; Q299-A301 VanDerWaalsContact C-N 3.33Å; Q299-A301 PolarHBondContact O-N 2.78Å; A301-M305 VanDerWaalsContact O-CB 3.26Å; A301-M305 WeakPolarHBondContact O-CB 3.41Å; A301-M305 PolarHBondContact O-N 3.34Å |
| 302 | I | 92.8 | Very high | 89.9 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 19% | 0.19 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 171.8 | -71 | 160.1 | 0 | 0 | 0 | 110.1 | L246 S298 Q299 S304 N306 V317 L319 | L246-I302 HydrophobicContact CD1-CG1 4.47Å; L246-I302 HydrophobicContact CD2-CD1 3.49Å; L246-I302 VanDerWaalsContact CD2-CD1 3.49Å; L246-I302 HydrophobicContact CD2-CG1 3.58Å; S298-I302 VanDerWaalsContact O-CG1 3.31Å; S298-I302 WeakPolarHBondContact O-CG1 3.41Å; S298-I302 PolarHBondContact O-N 3.35Å; Q299-I302 PolarHBondContact O-N 2.85Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 PolarHBondContact O-N 2.89Å; I302-N306 HydrophobicContact CG2-CB 4.27Å; I302-N306 WeakPolarHBondContact O-CB 3.34Å; I302-N306 PolarHBondContact O-N 3.49Å; I302-V317 HydrophobicContact CG1-CG1 3.85Å; I302-L319 HydrophobicContact CD1-CB 4.29Å; I302-L319 HydrophobicContact CD1-CD1 4.1Å |
| 303 | Q | 91.6 | Very high | 89.7 | Confident | 159 Ų | 159 | 68 Ų | 68 | 74% | 0.743 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.4 | -37.4 | -175.5 | -70.5 | 176.7 | 22 | 0 | 0 | 112.8 | Q299 A300 | Q299-Q303 WeakPolarHBondContact O-CG 3.34Å; Q299-Q303 PolarHBondContact O-N 3.47Å; A300-Q303 PolarHBondContact O-N 3.06Å |
| 304 | S | 90.3 | Very high | 89.7 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -83.8 | -36.1 | -177.4 | -51.9 | 0 | 0 | 0 | 0 | 113.6 | F267 A300 I302 | F267-S304 WeakPolarHBondContact CE1-OG 3.49Å; A300-S304 WeakPolarHBondContact O-CB 3.44Å; A300-S304 PolarHBondContact O-N 3.26Å; A300-S304 PolarHBondContact O-OG 3.39Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 PolarHBondContact O-N 2.89Å |
| 305 | M | 89.1 | Confident | 89.8 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.059 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -104 | -18.6 | -171.6 | -61.3 | -57.3 | -59.5 | 0 | 0 | 114.4 | M263 F264 F267 A301 G307 F308 L315 V317 | M263-M305 HydrophobicContact CE-CE 3.87Å; M263-M305 HydrophobicContact CG-CE 3.7Å; M263-M305 HydrophobicContact SD-CE 3.5Å; M263-M305 VanDerWaalsContact SD-CE 3.5Å; F264-M305 HydrophobicContact CZ-CB 4.23Å; F264-M305 HydrophobicContact CZ-CG 4.33Å; F267-M305 HydrophobicContact CD2-CG 4.2Å; F267-M305 HydrophobicContact CE2-CG 3.42Å; F267-M305 VanDerWaalsContact CE2-CG 3.42Å; F267-M305 HydrophobicContact CE2-SD 3.63Å; F267-M305 HydrophobicContact CZ-CG 3.78Å; F267-M305 HydrophobicContact CZ-SD 3.65Å; A301-M305 VanDerWaalsContact O-CB 3.26Å; A301-M305 WeakPolarHBondContact O-CB 3.41Å; A301-M305 PolarHBondContact O-N 3.34Å; M305-G307 PolarHBondContact O-N 2.88Å; M305-F308 HydrophobicContact CE-CB 4.07Å; M305-F308 HydrophobicContact CE-CD1 4.06Å; M305-F308 HydrophobicContact CE-CD2 4.35Å; M305-F308 HydrophobicContact CE-CG 3.9Å; M305-F308 WeakPolarHBondContact O-CB 3.44Å; M305-F308 PolarHBondContact O-N 3.17Å; M305-F308 VanDerWaalsContact O-N 3.16Å; M305-L315 HydrophobicContact CE-CD1 3.99Å; M305-V317 HydrophobicContact CB-CG2 3.77Å |
| 306 | N | 91.8 | Very high | 89.8 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 41% | 0.406 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 110.8 | 175 | -177.7 | 47.9 | 0 | 0 | 0 | 110.5 | I302 K316 V317 | I302-N306 HydrophobicContact CG2-CB 4.27Å; I302-N306 WeakPolarHBondContact O-CB 3.34Å; I302-N306 PolarHBondContact O-N 3.49Å; N306-K316 WeakPolarHBondContact OD1-CA 3.48Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3.3Å; N306-V317 VanDerWaalsContact OD1-N 3.09Å; N306-V317 PolarHBondContact OD1-O 2.67Å |
| 307 | G | 89 | Confident | 89.8 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101 | -3.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | M305 Q309 R314 L315 | M305-G307 PolarHBondContact O-N 2.88Å; G307-Q309 PolarHBondContact O-N 2.84Å; G307-R314 VanDerWaalsContact O-CD 3.24Å; G307-R314 WeakPolarHBondContact O-CD 3.49Å; G307-R314 WeakPolarHBondContact O-CG 3.41Å; G307-L315 WeakPolarHBondContact CA-O 3.4Å; G307-L315 PolarHBondContact N-O 3.29Å |
| 308 | F | 88.2 | Confident | 89.8 | Confident | 98 Ų | 98 | 69.7 Ų | 69.7 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | trans | -61.2 | 126.4 | 174.9 | -171.9 | -93.2 | 0 | 0 | 0 | 110.8 | M305 I310 R314 L315 | M305-F308 HydrophobicContact CE-CB 4.07Å; M305-F308 HydrophobicContact CE-CD1 4.06Å; M305-F308 HydrophobicContact CE-CD2 4.35Å; M305-F308 HydrophobicContact CE-CG 3.9Å; M305-F308 WeakPolarHBondContact O-CB 3.44Å; M305-F308 PolarHBondContact O-N 3.17Å; M305-F308 VanDerWaalsContact O-N 3.16Å; F308-I310 HydrophobicContact CD1-CB 4.34Å; F308-I310 HydrophobicContact CE1-CB 4.28Å; F308-R314 CarbonylContact O-C 3.53Å; F308-L315 HydrophobicContact CB-CB 4.43Å; F308-L315 HydrophobicContact CB-CD1 4.34Å; F308-L315 HydrophobicContact CD1-CD1 4.04Å; F308-L315 PolarHBondContact O-N 3.14Å | ||
| 309 | Q | 88.6 | Confident | 89.8 | Confident | 138 Ų | 138 | 73.5 Ų | 73.5 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.3 | 177.9 | -178.4 | 173.6 | -18.7 | 0 | 0 | 110.4 | G307 G311 | G307-Q309 PolarHBondContact O-N 2.84Å; Q309-G311 PolarHBondContact NE2-O 3Å |
| 310 | I | 84.7 | Confident | 89.4 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 109 | 177.8 | -169.1 | 160.3 | 0 | 0 | 0 | 109.3 | P252 F255 F308 M312 K313 L315 | P252-I310 HydrophobicContact CG-CB 4.48Å; P252-I310 HydrophobicContact CG-CD1 3.76Å; P252-I310 HydrophobicContact CG-CG1 3.86Å; P252-I310 HydrophobicContact CG-CG2 3.84Å; F255-I310 HydrophobicContact CD2-CD1 4.42Å; F255-I310 HydrophobicContact CE2-CD1 3.48Å; F255-I310 VanDerWaalsContact CE2-CD1 3.48Å; F255-I310 HydrophobicContact CZ-CD1 3.73Å; F308-I310 HydrophobicContact CD1-CB 4.34Å; F308-I310 HydrophobicContact CE1-CB 4.28Å; I310-M312 PolarHBondContact O-N 3.44Å; I310-K313 PolarHBondContact N-O 3.37Å; I310-K313 PolarHBondContact O-N 3.21Å; I310-K313 VanDerWaalsContact O-N 3.08Å; I310-K313 VanDerWaalsContact O-O 3.14Å; I310-L315 HydrophobicContact CG2-CD1 4.38Å; I310-L315 HydrophobicContact CG2-CD2 3.76Å; I310-L315 HydrophobicContact CG2-CG 3.84Å |
| 311 | G | 83.4 | Confident | 88.8 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 66% | 0.66 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -124.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q309 K313 | Q309-G311 PolarHBondContact NE2-O 3Å; G311-K313 VanDerWaalsContact C-N 3.35Å |
| 312 | M | 85.4 | Confident | 87.7 | Confident | 196 Ų | 196 | 79.8 Ų | 79.8 | 97% | 0.966 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.1 | 178.9 | -62.4 | 174.5 | 67.8 | 0 | 0 | 114.2 | I310 | I310-M312 PolarHBondContact O-N 3.44Š|
| 313 | K | 86.9 | Confident | 86.3 | Confident | 73 Ų | 73 | 87.3 Ų | 87.3 | 32% | 0.317 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148.6 | -170.7 | -63.1 | 172.2 | 75.1 | -179 | 0 | 110.7 | H250 L251 C286 I310 G311 | H250-K313 VanDerWaalsContact O-CE 3.29Å; H250-K313 WeakPolarHBondContact O-CE 3.5Å; L251-K313 PolarHBondContact O-NZ 2.81Å; C286-K313 PolarHBondContact SG-NZ 3.13Å; I310-K313 PolarHBondContact N-O 3.37Å; I310-K313 PolarHBondContact O-N 3.21Å; I310-K313 VanDerWaalsContact O-N 3.08Å; I310-K313 VanDerWaalsContact O-O 3.14Å; G311-K313 VanDerWaalsContact C-N 3.35Å |
| 314 | R | 90.1 | Very high | 84.8 | Confident | 167 Ų | 167 | 86 Ų | 86 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.5 | 176.9 | -155.4 | -180 | 81.1 | -169.6 | 8.8 | 110.5 | H250 G307 F308 | H250-R314 WeakPolarHBondContact CB-O 3.28Å; H250-R314 PolarHBondContact ND1-O 2.91Å; G307-R314 VanDerWaalsContact O-CD 3.24Å; G307-R314 WeakPolarHBondContact O-CD 3.49Å; G307-R314 WeakPolarHBondContact O-CG 3.41Å; F308-R314 CarbonylContact O-C 3.53Å |
| 315 | L | 92.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 87.8 Ų | 87.8 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | trans | -58.3 | 138.7 | 178.3 | -62.1 | -174 | 0 | 0 | 0 | 110.1 | Y249 L251 M263 M305 G307 F308 I310 | Y249-L315 WeakPolarHBondContact O-CA 3.13Å; L251-L315 HydrophobicContact CD2-CD2 3.87Å; L251-L315 HydrophobicContact CG-CD2 4.26Å; M263-L315 HydrophobicContact CE-CD1 3.72Å; M263-L315 HydrophobicContact SD-CD1 4.34Å; M305-L315 HydrophobicContact CE-CD1 3.99Å; G307-L315 WeakPolarHBondContact CA-O 3.4Å; G307-L315 PolarHBondContact N-O 3.29Å; F308-L315 HydrophobicContact CB-CB 4.43Å; F308-L315 HydrophobicContact CB-CD1 4.34Å; F308-L315 HydrophobicContact CD1-CD1 4.04Å; F308-L315 PolarHBondContact O-N 3.14Å; I310-L315 HydrophobicContact CG2-CD1 4.38Å; I310-L315 HydrophobicContact CG2-CD2 3.76Å; I310-L315 HydrophobicContact CG2-CG 3.84Å | ||
| 316 | K | 91.3 | Very high | 81.8 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 114.3 | 171.8 | -169.2 | -168.5 | -171.8 | -162 | 0 | 108.8 | I248 Y249 N306 Q318 | I248-K316 WeakPolarHBondContact CA-O 3.19Å; Y249-K316 PolarHBondContact N-O 3.07Å; Y249-K316 PolarHBondContact O-N 3.24Å; N306-K316 WeakPolarHBondContact OD1-CA 3.48Å; K316-Q318 HydrophobicContact CD-CG 4.39Å; K316-Q318 VanDerWaalsContact CE-CD 3.46Å; K316-Q318 HydrophobicContact CG-CG 4.32Å |
| 317 | V | 92.4 | Very high | 79.7 | Confident | 2 Ų | 2 | 95.9 Ų | 95.9 | 1% | 0.012 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.4 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 108.2 | L246 F247 I248 F264 I302 M305 N306 | L246-V317 HydrophobicContact CB-CG1 4.41Å; L246-V317 HydrophobicContact CD1-CG1 3.9Å; L246-V317 HydrophobicContact CD2-CG1 4.5Å; F247-V317 WeakPolarHBondContact O-CA 3.43Å; I248-V317 HydrophobicContact CG1-CG1 4.34Å; I248-V317 HydrophobicContact CG1-CG2 4.22Å; I248-V317 HydrophobicContact CG2-CG2 4.26Å; F264-V317 HydrophobicContact CE1-CG1 4.26Å; F264-V317 HydrophobicContact CZ-CG1 4.45Å; F264-V317 HydrophobicContact CZ-CG2 4.03Å; I302-V317 HydrophobicContact CG1-CG1 3.85Å; M305-V317 HydrophobicContact CB-CG2 3.77Å; N306-V317 HydrophobicContact CB-CB 4.05Å; N306-V317 PolarHBondContact OD1-N 3.3Å; N306-V317 VanDerWaalsContact OD1-N 3.09Å; N306-V317 PolarHBondContact OD1-O 2.67Å |
| 318 | Q | 90.3 | Very high | 78.5 | Confident | 71 Ų | 71 | 100.7 Ų | 100.7 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149.8 | -177.6 | -71 | 170.3 | 114.9 | 0 | 0 | 109.6 | L246 F247 K316 | L246-Q318 CarbonylContact C-O 3.55Å; L246-Q318 WeakPolarHBondContact CA-O 3.35Å; F247-Q318 PolarHBondContact N-O 2.92Å; F247-Q318 PolarHBondContact O-N 2.81Å; K316-Q318 HydrophobicContact CD-CG 4.39Å; K316-Q318 VanDerWaalsContact CE-CD 3.46Å; K316-Q318 HydrophobicContact CG-CG 4.32Å |
| 319 | L | 91.2 | Very high | 76.7 | Confident | 80 Ų | 80 | 110.3 Ų | 110.3 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.3 | 170.4 | -157.3 | 71.9 | 0 | 0 | 0 | 110.5 | G243 L246 I302 R321 | G243-L319 WeakPolarHBondContact O-CD1 3.42Å; L246-L319 HydrophobicContact CD2-CD1 4.09Å; I302-L319 HydrophobicContact CD1-CB 4.29Å; I302-L319 HydrophobicContact CD1-CD1 4.1Å; L319-R321 PolarHBondContact O-N 3.01Å |
| 320 | K | 85.4 | Confident | 76.1 | Confident | 50 Ų | 50 | 109 Ų | 109 | 22% | 0.217 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 121.7 | 167.2 | -164.9 | -162 | -159.4 | 149.4 | 0 | 107.8 | E239 N245 F247 F289 S322 | E239-K320 VanDerWaalsContact CD-NZ 3.28Å; E239-K320 IonicContact OE1-NZ 3.38Å; E239-K320 PolarHBondContact OE1-NZ 3.3Å; E239-K320 IonicContact OE2-NZ 2.59Å; E239-K320 PolarHBondContact OE2-NZ 3.36Å; N245-K320 HydrophobicContact CB-CB 3.6Å; N245-K320 HydrophobicContact CB-CD 3.92Å; N245-K320 HydrophobicContact CB-CG 4.36Å; N245-K320 WeakPolarHBondContact O-CB 3.35Å; N245-K320 PolarHBondContact O-N 3.22Å; F247-K320 HydrophobicContact CD2-CB 4.29Å; F247-K320 HydrophobicContact CD2-CG 4.12Å; F247-K320 HydrophobicContact CE2-CB 4.21Å; F247-K320 HydrophobicContact CE2-CG 3.55Å; F247-K320 HydrophobicContact CZ-CG 4.01Å; F289-K320 HydrophobicContact CE2-CB 4.12Å; F289-K320 HydrophobicContact CE2-CD 3.53Å; F289-K320 HydrophobicContact CE2-CG 3.89Å; F289-K320 HydrophobicContact CZ-CD 3.84Å; F289-K320 VanDerWaalsContact CZ-NZ 3.26Å; K320-S322 PolarHBondContact O-N 3.38Å |
| 321 | R | 78.5 | Confident | 75.7 | Confident | 191 Ų | 191 | 112.7 Ų | 112.7 | 72% | 0.721 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 125 | 169.4 | -66 | -168.5 | -177.9 | -154.5 | -0.3 | 109.1 | L319 | L319-R321 PolarHBondContact O-N 3.01Š|
| 322 | S | 68.3 | Low | 75.2 | Confident | 34 Ų | 34 | 115.4 Ų | 115.4 | 24% | 0.238 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -70 | 164.9 | 174.2 | 74.3 | 0 | 0 | 0 | 0 | 110.1 | K320 N324 | K320-S322 PolarHBondContact O-N 3.38Å; S322-N324 PolarHBondContact O-N 2.92Å |
| 323 | K | 64.8 | Low | 74.6 | Confident | 196 Ų | 196 | 110.6 Ų | 110.6 | 85% | 0.852 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -66.3 | -26.7 | -179.5 | -157.1 | 73.8 | 175.3 | -171.3 | 0 | 112.5 | ||
| 324 | N | 59.8 | Low | 73.9 | Confident | 131 Ų | 131 | 113 Ų | 113 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -73.4 | -42.7 | -179.2 | -95.3 | -12.4 | 0 | 0 | 0 | 113 | S322 S326 K327 | S322-N324 PolarHBondContact O-N 2.92Å; N324-S326 PolarHBondContact O-N 3.24Å; N324-K327 PolarHBondContact O-N 3.02Å |
| 325 | D | 58.1 | Low | 72.8 | Confident | 105 Ų | 105 | 109.4 Ų | 109.4 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -9.9 | -179.2 | -169.7 | -114.6 | 0 | 0 | 0 | 113.9 | K327 | D325-K327 VanDerWaalsContact C-N 3.26Å; D325-K327 PolarHBondContact O-N 3.23Å |
| 326 | S | 56.9 | Low | 71.4 | Confident | 82 Ų | 82 | 117.1 Ų | 117.1 | 57% | 0.573 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 10.9 | -179.3 | -57.9 | 0 | 0 | 0 | 0 | 114.5 | N324 | N324-S326 PolarHBondContact O-N 3.24Š|
| 327 | K | 48.1 | Very low | 69.9 | Low | 177 Ų | 177 | 119.2 Ų | 119.2 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | trans | -122 | 113.5 | 172.7 | -73.3 | -176.3 | 176.5 | -178.6 | 0 | 110.4 | N324 D325 | N324-K327 PolarHBondContact O-N 3.02Å; D325-K327 VanDerWaalsContact C-N 3.26Å; D325-K327 PolarHBondContact O-N 3.23Å | ||
| 328 | P | 63.7 | Low | 68 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 84% | 0.838 | 62% | 0.617 | S | S | * | * | trans | -60.8 | 140 | 151.1 | 29.7 | -32.8 | 0 | 0 | 0 | 108.3 | ||||
| 329 | Y | 50.9 | Low | 66 | Low | 301 Ų | 301 | 134.2 Ų | 134.2 | 100% | 1.18 | 64% | 0.643 | S | S | * | * | trans | -85.4 | 0 | 178.8 | -162.4 | -79.4 | 0 | 0 | 0 | 110.3 |
Retrieved 329 of 329 residues in 124.9 ms
(Link to these results)