| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 64.8 | Low | 89.9 | Confident | 248 Ų | 248 | 97.5 Ų | 97.5 | 100% | 1.222 | 58% | 0.575 | S | S | * | * | 0 | 125.1 | 0 | -69.8 | 177.5 | -164.6 | 0 | 0 | 107.5 | |||||
| 2 | T | 77 | Confident | 90.4 | Very high | 81 Ų | 81 | 99 Ų | 99 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | trans | -76.2 | 142.6 | 175.3 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | K7 | T2-K7 WeakPolarHBondContact OG1-CE 3.17Š| ||
| 3 | S | 91.3 | Very high | 91 | Very high | 73 Ų | 73 | 98 Ų | 98 | 51% | 0.51 | 57% | 0.571 | S | S | . | * | trans | -66.9 | 155.9 | 178.8 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | S5 A6 K7 | S3-S5 PolarHBondContact O-N 3.28Å; S3-A6 WeakPolarHBondContact O-CB 3.48Å; S3-A6 PolarHBondContact O-N 2.77Å; S3-A6 PolarHBondContact OG-N 3.19Å; S3-K7 PolarHBondContact O-N 3.08Å; S3-K7 VanDerWaalsContact O-N 3.16Å | ||
| 4 | A | 89.9 | Confident | 91.5 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K7 V8 | A4-K7 PolarHBondContact O-N 3.22Å; A4-V8 WeakPolarHBondContact O-CG2 3.31Å; A4-V8 PolarHBondContact O-N 2.79Å; A4-V8 VanDerWaalsContact O-N 3.1Å |
| 5 | S | 91.4 | Very high | 91.9 | Very high | 96 Ų | 96 | 90.9 Ų | 90.9 | 67% | 0.671 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -37.6 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | S3 K7 V8 G9 | S3-S5 PolarHBondContact O-N 3.28Å; S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 2.75Å; S5-V8 PolarHBondContact O-N 2.83Å; S5-G9 PolarHBondContact O-N 3.34Å |
| 6 | A | 94.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 87.3 Ų | 87.3 | 34% | 0.339 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S3 V8 G9 E10 | S3-A6 WeakPolarHBondContact O-CB 3.48Å; S3-A6 PolarHBondContact O-N 2.77Å; S3-A6 PolarHBondContact OG-N 3.19Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.2Å; A6-G9 PolarHBondContact O-N 3.39Å; A6-E10 WeakPolarHBondContact O-CG 3.39Å; A6-E10 PolarHBondContact O-N 3.33Å |
| 7 | K | 95.2 | Very high | 92.6 | Very high | 115 Ų | 115 | 85.8 Ų | 85.8 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.1 | -63.1 | -177.4 | 179.5 | -173.1 | 0 | 112.7 | T2 S3 A4 S5 E10 I11 | T2-K7 WeakPolarHBondContact OG1-CE 3.17Å; S3-K7 PolarHBondContact O-N 3.08Å; S3-K7 VanDerWaalsContact O-N 3.16Å; A4-K7 PolarHBondContact O-N 3.22Å; S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 2.75Å; K7-E10 PolarHBondContact O-N 3.13Å; K7-I11 WeakPolarHBondContact O-CG1 3.43Å; K7-I11 PolarHBondContact O-N 2.9Å |
| 8 | V | 95.1 | Very high | 92.8 | Very high | 76 Ų | 76 | 84.6 Ų | 84.6 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | A4 S5 A6 E10 I11 F12 | A4-V8 WeakPolarHBondContact O-CG2 3.31Å; A4-V8 PolarHBondContact O-N 2.79Å; A4-V8 VanDerWaalsContact O-N 3.1Å; S5-V8 PolarHBondContact O-N 2.83Å; A6-V8 VanDerWaalsContact C-N 3.35Å; A6-V8 PolarHBondContact O-N 3.2Å; V8-E10 PolarHBondContact O-N 3.11Å; V8-I11 PolarHBondContact O-N 3.46Å; V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 3.54Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 2.86Å |
| 9 | G | 96 | Very high | 93.1 | Very high | 33 Ų | 33 | 85.5 Ų | 85.5 | 34% | 0.34 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S5 A6 I11 F12 S13 | S5-G9 PolarHBondContact O-N 3.34Å; A6-G9 PolarHBondContact O-N 3.39Å; G9-I11 VanDerWaalsContact C-N 3.3Å; G9-I11 PolarHBondContact O-N 2.93Å; G9-F12 PolarHBondContact O-N 3.36Å; G9-S13 PolarHBondContact O-N 2.86Å; G9-S13 PolarHBondContact O-OG 2.89Å |
| 10 | E | 97.6 | Very high | 93.3 | Very high | 117 Ų | 117 | 86.4 Ų | 86.4 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 177 | -72.8 | 171.7 | 172.1 | 0 | 0 | 112.5 | A6 K7 V8 S13 A14 | A6-E10 WeakPolarHBondContact O-CG 3.39Å; A6-E10 PolarHBondContact O-N 3.33Å; K7-E10 PolarHBondContact O-N 3.13Å; V8-E10 PolarHBondContact O-N 3.11Å; E10-S13 PolarHBondContact O-N 3.38Å; E10-A14 PolarHBondContact O-N 3.14Å |
| 11 | I | 96.1 | Very high | 93.4 | Very high | 115 Ų | 115 | 88.7 Ų | 88.7 | 59% | 0.59 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 177.2 | -65 | 163.6 | 0 | 0 | 0 | 110.7 | K7 V8 G9 A14 A15 | K7-I11 WeakPolarHBondContact O-CG1 3.43Å; K7-I11 PolarHBondContact O-N 2.9Å; V8-I11 PolarHBondContact O-N 3.46Å; G9-I11 VanDerWaalsContact C-N 3.3Å; G9-I11 PolarHBondContact O-N 2.93Å; I11-A14 PolarHBondContact O-N 3.32Å; I11-A15 PolarHBondContact O-N 2.69Å |
| 12 | F | 96.7 | Very high | 94.8 | Very high | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.504 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 178.1 | -75.8 | -62 | 0 | 0 | 0 | 112.6 | V8 G9 A14 A15 G16 L61 | V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 3.54Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.41Å; V8-F12 PolarHBondContact O-N 2.86Å; G9-F12 PolarHBondContact O-N 3.36Å; F12-A14 VanDerWaalsContact C-N 3.33Å; F12-A14 PolarHBondContact O-N 3Å; F12-A15 PolarHBondContact O-N 3.42Å; F12-G16 PolarHBondContact O-N 3.24Å; F12-L61 HydrophobicContact CE1-CD2 4.45Å |
| 13 | S | 98.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 77.7 Ų | 77.7 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 171.8 | -68.3 | 0 | 0 | 0 | 0 | 111.7 | G9 E10 G16 A17 | G9-S13 PolarHBondContact O-N 2.86Å; G9-S13 PolarHBondContact O-OG 2.89Å; E10-S13 PolarHBondContact O-N 3.38Å; S13-G16 PolarHBondContact O-N 3.42Å; S13-A17 WeakPolarHBondContact O-CB 3.25Å; S13-A17 PolarHBondContact O-N 3.49Å |
| 14 | A | 97.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 79.7 Ų | 79.7 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E10 I11 F12 A17 A18 | E10-A14 PolarHBondContact O-N 3.14Å; I11-A14 PolarHBondContact O-N 3.32Å; F12-A14 VanDerWaalsContact C-N 3.33Å; F12-A14 PolarHBondContact O-N 3Å; A14-A17 PolarHBondContact O-N 3.18Å; A14-A18 PolarHBondContact O-N 3.42Å |
| 15 | A | 97.1 | Very high | 95.7 | Very high | 27 Ų | 27 | 80.1 Ų | 80.1 | 22% | 0.223 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I11 F12 A17 A18 F19 | I11-A15 PolarHBondContact O-N 2.69Å; F12-A15 PolarHBondContact O-N 3.42Å; A15-A17 PolarHBondContact O-N 3.06Å; A15-A18 WeakPolarHBondContact O-CB 3.38Å; A15-A18 PolarHBondContact O-N 3.36Å; A15-F19 HydrophobicContact CB-CE2 4.45Å; A15-F19 WeakPolarHBondContact O-CD2 3.38Å; A15-F19 PolarHBondContact O-N 2.92Å |
| 16 | G | 97.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 78 Ų | 78 | 34% | 0.34 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F12 S13 A18 F19 T20 | F12-G16 PolarHBondContact O-N 3.24Å; S13-G16 PolarHBondContact O-N 3.42Å; G16-A18 VanDerWaalsContact C-N 3.31Å; G16-A18 PolarHBondContact O-N 3.27Å; G16-F19 PolarHBondContact O-N 3.21Å; G16-T20 PolarHBondContact O-N 3.33Å; G16-T20 PolarHBondContact O-OG1 3.43Å; G16-T20 VanDerWaalsContact O-OG1 3.12Å |
| 17 | A | 98.2 | Very high | 95.1 | Very high | 62 Ų | 62 | 83.3 Ų | 83.3 | 51% | 0.512 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S13 A14 A15 T20 K21 | S13-A17 WeakPolarHBondContact O-CB 3.25Å; S13-A17 PolarHBondContact O-N 3.49Å; A14-A17 PolarHBondContact O-N 3.18Å; A15-A17 PolarHBondContact O-N 3.06Å; A17-T20 PolarHBondContact O-N 2.98Å; A17-K21 WeakPolarHBondContact O-CB 3.31Å; A17-K21 PolarHBondContact O-N 3.07Å |
| 18 | A | 97.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 83.6 Ų | 83.6 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A14 A15 G16 K21 L22 | A14-A18 PolarHBondContact O-N 3.42Å; A15-A18 WeakPolarHBondContact O-CB 3.38Å; A15-A18 PolarHBondContact O-N 3.36Å; G16-A18 VanDerWaalsContact C-N 3.31Å; G16-A18 PolarHBondContact O-N 3.27Å; A18-K21 PolarHBondContact O-N 3.44Å; A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 3.28Å |
| 19 | F | 96.8 | Very high | 93.7 | Very high | 103 Ų | 103 | 83 Ų | 83 | 45% | 0.452 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.6 | -70.5 | -54.3 | 0 | 0 | 0 | 112.7 | A15 G16 K21 L22 G23 F57 | A15-F19 HydrophobicContact CB-CE2 4.45Å; A15-F19 WeakPolarHBondContact O-CD2 3.38Å; A15-F19 PolarHBondContact O-N 2.92Å; G16-F19 PolarHBondContact O-N 3.21Å; F19-K21 PolarHBondContact O-N 3.26Å; F19-L22 PolarHBondContact O-N 3.24Å; F19-G23 PolarHBondContact O-N 2.9Å; F19-F57 HydrophobicContact CE2-CE1 4.15Å; F19-F57 HydrophobicContact CE2-CZ 4.48Å; F19-F57 HydrophobicContact CZ-CD1 4.22Å; F19-F57 HydrophobicContact CZ-CE1 4.09Å |
| 20 | T | 97.6 | Very high | 92 | Very high | 102 Ų | 102 | 88 Ų | 88 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.7 | -48.7 | 174.9 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | G16 A17 L22 G23 E24 | G16-T20 PolarHBondContact O-N 3.33Å; G16-T20 PolarHBondContact O-OG1 3.43Å; G16-T20 VanDerWaalsContact O-OG1 3.12Å; A17-T20 PolarHBondContact O-N 2.98Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 2.93Å; T20-G23 PolarHBondContact O-N 2.97Å; T20-E24 PolarHBondContact O-N 3.47Å |
| 21 | K | 96.3 | Very high | 90.2 | Very high | 136 Ų | 136 | 87.7 Ų | 87.7 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 178.4 | -177.8 | 176.6 | -179.9 | 178.4 | 0 | 112.1 | A17 A18 F19 E24 L25 | A17-K21 WeakPolarHBondContact O-CB 3.31Å; A17-K21 PolarHBondContact O-N 3.07Å; A18-K21 PolarHBondContact O-N 3.44Å; F19-K21 PolarHBondContact O-N 3.26Å; K21-E24 PolarHBondContact O-N 3.13Å; K21-L25 HydrophobicContact CG-CD1 4.25Å; K21-L25 WeakPolarHBondContact O-CG 3.35Å; K21-L25 PolarHBondContact O-N 3.45Å; K21-L25 VanDerWaalsContact O-N 3.07Å |
| 22 | L | 93.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 87.8 Ų | 87.8 | 34% | 0.335 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177 | -180 | 62.8 | 0 | 0 | 0 | 111.4 | A18 F19 T20 L25 T26 W42 L50 | A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 3.28Å; F19-L22 PolarHBondContact O-N 3.24Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-L22 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 2.95Å; L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.32Å; L22-T26 PolarHBondContact O-OG1 3.28Å; L22-W42 HydrophobicContact CD1-CH2 4.39Å; L22-L50 HydrophobicContact CD2-CD1 3.75Å |
| 23 | G | 92.5 | Very high | 85.7 | Confident | 33 Ų | 33 | 87.4 Ų | 87.4 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F19 T20 T26 M27 | F19-G23 PolarHBondContact O-N 2.9Å; T20-G23 PolarHBondContact O-N 2.97Å; G23-T26 WeakPolarHBondContact O-CB 3.36Å; G23-T26 PolarHBondContact O-N 2.96Å; G23-M27 WeakPolarHBondContact O-CG 3.47Å; G23-M27 PolarHBondContact O-N 2.98Å |
| 24 | E | 93.1 | Very high | 83.4 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 176.3 | -170.6 | -169.3 | 160.5 | 0 | 0 | 112.1 | T20 K21 T26 M27 Q28 | T20-E24 PolarHBondContact O-N 3.47Å; K21-E24 PolarHBondContact O-N 3.13Å; E24-T26 VanDerWaalsContact C-N 3.25Å; E24-T26 PolarHBondContact O-N 2.94Å; E24-M27 PolarHBondContact O-N 3.49Å; E24-Q28 WeakPolarHBondContact O-CG 3.44Å; E24-Q28 PolarHBondContact O-N 3.21Å |
| 25 | L | 90.2 | Very high | 81.3 | Confident | 87 Ų | 87 | 93 Ų | 93 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 177.3 | -69.8 | 172.4 | 0 | 0 | 0 | 112 | K21 L22 M27 Q28 L29 | K21-L25 HydrophobicContact CG-CD1 4.25Å; K21-L25 WeakPolarHBondContact O-CG 3.35Å; K21-L25 PolarHBondContact O-N 3.45Å; K21-L25 VanDerWaalsContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.95Å; L25-M27 VanDerWaalsContact C-N 3.33Å; L25-M27 PolarHBondContact O-N 3.4Å; L25-Q28 PolarHBondContact O-N 2.95Å; L25-L29 PolarHBondContact O-N 3.04Å |
| 26 | T | 86.8 | Confident | 78.9 | Confident | 52 Ų | 52 | 97 Ų | 97 | 32% | 0.319 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.4 | -40 | 175.7 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | L22 G23 E24 Q28 L29 W42 | L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.32Å; L22-T26 PolarHBondContact O-OG1 3.28Å; G23-T26 WeakPolarHBondContact O-CB 3.36Å; G23-T26 PolarHBondContact O-N 2.96Å; E24-T26 VanDerWaalsContact C-N 3.25Å; E24-T26 PolarHBondContact O-N 2.94Å; T26-Q28 VanDerWaalsContact C-N 3.26Å; T26-Q28 PolarHBondContact O-N 3.4Å; T26-L29 WeakPolarHBondContact O-CB 3.37Å; T26-L29 PolarHBondContact O-N 3.4Å; T26-W42 HydrophobicContact CG2-CZ2 4.16Å; T26-W42 WeakPolarHBondContact OG1-CZ2 3.38Å |
| 27 | M | 86.8 | Confident | 76.9 | Confident | 152 Ų | 152 | 101.6 Ų | 101.6 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.8 | -25.7 | 177 | -68.7 | 177.1 | 70.1 | 0 | 0 | 112.7 | G23 E24 L25 L29 | G23-M27 WeakPolarHBondContact O-CG 3.47Å; G23-M27 PolarHBondContact O-N 2.98Å; E24-M27 PolarHBondContact O-N 3.49Å; L25-M27 VanDerWaalsContact C-N 3.33Å; L25-M27 PolarHBondContact O-N 3.4Å; M27-L29 VanDerWaalsContact C-N 3.28Å |
| 28 | Q | 83.7 | Confident | 74.8 | Confident | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.1 | -14.9 | 176 | -65.9 | 174.8 | 46.4 | 0 | 0 | 113 | E24 L25 T26 H30 | E24-Q28 WeakPolarHBondContact O-CG 3.44Å; E24-Q28 PolarHBondContact O-N 3.21Å; L25-Q28 PolarHBondContact O-N 2.95Å; T26-Q28 VanDerWaalsContact C-N 3.26Å; T26-Q28 PolarHBondContact O-N 3.4Å; Q28-H30 PolarHBondContact O-N 3.47Å |
| 29 | L | 77.5 | Confident | 72.8 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 33% | 0.325 | 62% | 0.618 | S | S | . | * | trans | -77.3 | 63.5 | 172 | -68.9 | 162.2 | 0 | 0 | 0 | 110.3 | L25 T26 M27 A40 W42 | L25-L29 PolarHBondContact O-N 3.04Å; T26-L29 WeakPolarHBondContact O-CB 3.37Å; T26-L29 PolarHBondContact O-N 3.4Å; M27-L29 VanDerWaalsContact C-N 3.28Å; L29-A40 WeakPolarHBondContact CD2-O 3.45Å; L29-W42 VanDerWaalsContact CD1-CD1 3.47Å; L29-W42 HydrophobicContact CD1-CD2 4.39Å; L29-W42 HydrophobicContact CD1-CG 4.15Å; L29-W42 VanDerWaalsContact CD1-NE1 3.26Å | ||
| 30 | H | 60.7 | Low | 71.4 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | trans | -92.3 | 149.1 | 168.7 | -117.3 | -102.1 | 0 | 0 | 0 | 109.9 | Q28 V32 | Q28-H30 PolarHBondContact O-N 3.47Å; H30-V32 VanDerWaalsContact C-N 3.34Å; H30-V32 PolarHBondContact O-N 3.35Å | ||
| 31 | P | 59.7 | Low | 70.4 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 72% | 0.721 | 62% | 0.62 | S | S | * | * | trans | -64.5 | 96.4 | 170.6 | 26.4 | -32.3 | 0 | 0 | 0 | 108.8 | S33 | P31-S33 PolarHBondContact O-N 3Š| ||
| 32 | V | 48.2 | Very low | 69.9 | Low | 118 Ų | 118 | 101.7 Ų | 101.7 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | trans | -65.2 | 118.8 | 168.1 | -175.3 | 0 | 0 | 0 | 0 | 106.3 | H30 D34 | H30-V32 VanDerWaalsContact C-N 3.34Å; H30-V32 PolarHBondContact O-N 3.35Å; V32-D34 PolarHBondContact O-N 2.94Å | ||
| 33 | S | 50.4 | Low | 69.7 | Low | 106 Ų | 106 | 101.8 Ų | 101.8 | 74% | 0.741 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -38.4 | 121.7 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 112.7 | P31 S35 | P31-S33 PolarHBondContact O-N 3Å; S33-S35 PolarHBondContact O-N 3.49Å |
| 34 | D | 49.7 | Very low | 69.6 | Low | 167 Ų | 167 | 106.1 Ų | 106.1 | 89% | 0.893 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 47.6 | 5.9 | 153.8 | -132.1 | -107.7 | 0 | 0 | 0 | 121.3 | V32 | V32-D34 PolarHBondContact O-N 2.94Š|
| 35 | S | 53 | Low | 69.7 | Low | 101 Ų | 101 | 105 Ų | 105 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -150.2 | 57 | -175.8 | -61 | 0 | 0 | 0 | 0 | 114.8 | S33 | S33-S35 PolarHBondContact O-N 3.49Š|
| 36 | S | 46.5 | Very low | 69.8 | Low | 110 Ų | 110 | 105 Ų | 105 | 77% | 0.769 | 62% | 0.617 | S | S | * | * | trans | -170.9 | 122.7 | 147.6 | -97.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 37 | P | 55.5 | Low | 70.1 | Confident | 130 Ų | 130 | 104.6 Ų | 104.6 | 84% | 0.844 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -80.7 | 134.1 | 174.9 | 31.3 | -28.8 | 0 | 0 | 0 | 110.5 | ||
| 38 | A | 53.8 | Low | 70.6 | Confident | 113 Ų | 113 | 102.9 Ų | 102.9 | 93% | 0.934 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 93.9 | 9.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 39 | G | 56.4 | Low | 71.2 | Confident | 69 Ų | 69 | 103.2 Ų | 103.2 | 71% | 0.711 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -124.5 | -11.1 | -177 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 40 | A | 66.9 | Low | 72.1 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 33% | 0.331 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -110.7 | 0.6 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L29 | L29-A40 WeakPolarHBondContact CD2-O 3.45Š|
| 41 | K | 76.2 | Confident | 73.9 | Confident | 181 Ų | 181 | 103.7 Ų | 103.7 | 79% | 0.787 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -127.7 | 133.2 | -172.9 | -175 | -177.8 | 176.2 | -176.3 | 0 | 109.8 | T43 | K41-T43 PolarHBondContact O-N 3.44Å; K41-T43 VanDerWaalsContact O-N 3.13Å |
| 42 | W | 86.4 | Confident | 75.7 | Confident | 65 Ų | 65 | 103.2 Ų | 103.2 | 25% | 0.246 | 59% | 0.593 | C | S | . | * | trans | -46.6 | 119.8 | 167.1 | -84.4 | 90.3 | 0 | 0 | 0 | 110.3 | L22 T26 L29 E46 I47 L50 | L22-W42 HydrophobicContact CD1-CH2 4.39Å; T26-W42 HydrophobicContact CG2-CZ2 4.16Å; T26-W42 WeakPolarHBondContact OG1-CZ2 3.38Å; L29-W42 VanDerWaalsContact CD1-CD1 3.47Å; L29-W42 HydrophobicContact CD1-CD2 4.39Å; L29-W42 HydrophobicContact CD1-CG 4.15Å; L29-W42 VanDerWaalsContact CD1-NE1 3.26Å; W42-E46 HydrophobicContact CE3-CB 3.57Å; W42-E46 HydrophobicContact CZ3-CB 3.73Å; W42-I47 HydrophobicContact CB-CD1 4.11Å; W42-I47 HydrophobicContact CB-CG1 4Å; W42-I47 HydrophobicContact CD2-CG1 4.41Å; W42-I47 HydrophobicContact CE3-CG1 3.89Å; W42-L50 HydrophobicContact CH2-CB 4.48Å; W42-L50 HydrophobicContact CH2-CD2 3.82Å; W42-L50 HydrophobicContact CZ3-CB 4.23Å; W42-L50 HydrophobicContact CZ3-CD2 4.15Å | ||
| 43 | T | 89 | Confident | 78.1 | Confident | 66 Ų | 66 | 100.4 Ų | 100.4 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | trans | -79.5 | 152.8 | 172.9 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | K41 T45 E46 I47 | K41-T43 PolarHBondContact O-N 3.44Å; K41-T43 VanDerWaalsContact O-N 3.13Å; T43-T45 PolarHBondContact O-N 3.2Å; T43-E46 WeakPolarHBondContact CB-OE2 3.49Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.39Å; T43-E46 PolarHBondContact N-OE2 3.02Å; T43-E46 PolarHBondContact O-N 2.97Å; T43-E46 VanDerWaalsContact O-N 3.08Å; T43-E46 WeakPolarHBondContact OG1-CB 3.35Å; T43-E46 WeakPolarHBondContact OG1-CG 3.49Å; T43-E46 PolarHBondContact OG1-N 3.24Å; T43-E46 PolarHBondContact OG1-OE2 3.12Å; T43-I47 WeakPolarHBondContact O-CG1 3.25Å; T43-I47 PolarHBondContact O-N 3.12Å | ||
| 44 | E | 92 | Very high | 80.3 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 58% | 0.575 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.6 | -34.7 | 177.3 | -164.9 | 62.3 | -141.4 | 0 | 0 | 111.3 | I47 E48 R51 | E44-I47 PolarHBondContact O-N 3.45Å; E44-E48 WeakPolarHBondContact O-CB 3.47Å; E44-E48 PolarHBondContact O-N 2.89Å; E44-R51 IonicContact OE1-NH1 3.39Å; E44-R51 PolarHBondContact OE1-NH1 2.91Å |
| 45 | T | 94.6 | Very high | 82.7 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.8 | -47.9 | 173.7 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | T43 I47 E48 M49 | T43-T45 PolarHBondContact O-N 3.2Å; T45-I47 VanDerWaalsContact C-N 3.34Å; T45-E48 PolarHBondContact O-N 2.88Å; T45-M49 WeakPolarHBondContact O-CB 3.31Å; T45-M49 VanDerWaalsContact O-CG 3.31Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 2.98Å |
| 46 | E | 92.1 | Very high | 84.8 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -39 | 178.3 | -71.3 | 161.3 | 143.8 | 0 | 0 | 111.5 | W42 T43 E48 M49 L50 | W42-E46 HydrophobicContact CE3-CB 3.57Å; W42-E46 HydrophobicContact CZ3-CB 3.73Å; T43-E46 WeakPolarHBondContact CB-OE2 3.49Å; T43-E46 WeakPolarHBondContact CG2-OE2 3.39Å; T43-E46 PolarHBondContact N-OE2 3.02Å; T43-E46 PolarHBondContact O-N 2.97Å; T43-E46 VanDerWaalsContact O-N 3.08Å; T43-E46 WeakPolarHBondContact OG1-CB 3.35Å; T43-E46 WeakPolarHBondContact OG1-CG 3.49Å; T43-E46 PolarHBondContact OG1-N 3.24Å; T43-E46 PolarHBondContact OG1-OE2 3.12Å; E46-E48 VanDerWaalsContact C-N 3.33Å; E46-M49 PolarHBondContact O-N 3.42Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 3.41Å |
| 47 | I | 93.5 | Very high | 87.3 | Confident | 44 Ų | 44 | 101.2 Ų | 101.2 | 23% | 0.226 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.1 | -65.7 | 169.9 | 0 | 0 | 0 | 110.1 | W42 T43 E44 T45 L50 R51 | W42-I47 HydrophobicContact CB-CD1 4.11Å; W42-I47 HydrophobicContact CB-CG1 4Å; W42-I47 HydrophobicContact CD2-CG1 4.41Å; W42-I47 HydrophobicContact CE3-CG1 3.89Å; T43-I47 WeakPolarHBondContact O-CG1 3.25Å; T43-I47 PolarHBondContact O-N 3.12Å; E44-I47 PolarHBondContact O-N 3.45Å; T45-I47 VanDerWaalsContact C-N 3.34Å; I47-L50 PolarHBondContact O-N 3.4Å; I47-R51 VanDerWaalsContact CG2-CZ 3.42Å; I47-R51 VanDerWaalsContact O-CG 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.3Å; I47-R51 PolarHBondContact O-N 3.29Å |
| 48 | E | 97.1 | Very high | 89.3 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.9 | -178.9 | 160.9 | -143.9 | 0 | 0 | 111.1 | E44 T45 E46 L50 R51 L52 | E44-E48 WeakPolarHBondContact O-CB 3.47Å; E44-E48 PolarHBondContact O-N 2.89Å; T45-E48 PolarHBondContact O-N 2.88Å; E46-E48 VanDerWaalsContact C-N 3.33Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.99Å; E48-R51 WeakPolarHBondContact O-CB 3.32Å; E48-R51 PolarHBondContact O-N 3.43Å; E48-R51 VanDerWaalsContact O-N 3.14Å; E48-L52 HydrophobicContact CG-CD1 3.52Å; E48-L52 WeakPolarHBondContact O-CD1 3.33Å; E48-L52 PolarHBondContact O-N 3.23Å |
| 49 | M | 96.5 | Very high | 91.4 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.1 | -45 | 174.6 | -76 | -176.5 | 63.9 | 0 | 0 | 112.1 | T45 E46 L52 A53 | T45-M49 WeakPolarHBondContact O-CB 3.31Å; T45-M49 VanDerWaalsContact O-CG 3.31Å; T45-M49 WeakPolarHBondContact O-CG 3.47Å; T45-M49 PolarHBondContact O-N 2.98Å; E46-M49 PolarHBondContact O-N 3.42Å; M49-L52 PolarHBondContact O-N 3.13Å; M49-A53 VanDerWaalsContact O-CB 3.31Å; M49-A53 WeakPolarHBondContact O-CB 3.37Å; M49-A53 PolarHBondContact O-N 3.01Å |
| 50 | L | 95.9 | Very high | 93.4 | Very high | 63 Ų | 63 | 96.4 Ų | 96.4 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 177 | 179.4 | 60.2 | 0 | 0 | 0 | 111.5 | L22 W42 E46 I47 E48 L52 A53 V54 | L22-L50 HydrophobicContact CD2-CD1 3.75Å; W42-L50 HydrophobicContact CH2-CB 4.48Å; W42-L50 HydrophobicContact CH2-CD2 3.82Å; W42-L50 HydrophobicContact CZ3-CB 4.23Å; W42-L50 HydrophobicContact CZ3-CD2 4.15Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 3.41Å; I47-L50 PolarHBondContact O-N 3.4Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 2.99Å; L50-L52 PolarHBondContact O-N 3.35Å; L50-A53 PolarHBondContact O-N 3.49Å; L50-V54 HydrophobicContact CD1-CG2 3.87Å; L50-V54 HydrophobicContact CG-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CB 3.41Å; L50-V54 WeakPolarHBondContact O-CG2 3.45Å; L50-V54 PolarHBondContact O-N 3.31Å |
| 51 | R | 97.9 | Very high | 94.9 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.5 | -46.4 | 177.5 | -75.2 | 172.7 | 177.1 | 149.5 | 1.8 | 111.5 | E44 I47 E48 R55 | E44-R51 IonicContact OE1-NH1 3.39Å; E44-R51 PolarHBondContact OE1-NH1 2.91Å; I47-R51 VanDerWaalsContact CG2-CZ 3.42Å; I47-R51 VanDerWaalsContact O-CG 3.31Å; I47-R51 WeakPolarHBondContact O-CG 3.3Å; I47-R51 PolarHBondContact O-N 3.29Å; E48-R51 WeakPolarHBondContact O-CB 3.32Å; E48-R51 PolarHBondContact O-N 3.43Å; E48-R51 VanDerWaalsContact O-N 3.14Å; R51-R55 VanDerWaalsContact O-CB 3.25Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.3Å |
| 52 | L | 98.4 | Very high | 95.9 | Very high | 101 Ų | 101 | 93.8 Ų | 93.8 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 177.6 | -88.2 | 133.9 | 0 | 0 | 0 | 111.8 | E48 M49 L50 R55 R56 | E48-L52 HydrophobicContact CG-CD1 3.52Å; E48-L52 WeakPolarHBondContact O-CD1 3.33Å; E48-L52 PolarHBondContact O-N 3.23Å; M49-L52 PolarHBondContact O-N 3.13Å; L50-L52 PolarHBondContact O-N 3.35Å; L52-R55 PolarHBondContact O-N 2.93Å; L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 3.19Å |
| 53 | A | 98 | Very high | 96.5 | Very high | 60 Ų | 60 | 95.3 Ų | 95.3 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M49 L50 F57 | M49-A53 VanDerWaalsContact O-CB 3.31Å; M49-A53 WeakPolarHBondContact O-CB 3.37Å; M49-A53 PolarHBondContact O-N 3.01Å; L50-A53 PolarHBondContact O-N 3.49Å; A53-F57 WeakPolarHBondContact O-CB 3.11Å; A53-F57 PolarHBondContact O-N 3.2Å |
| 54 | V | 97.8 | Very high | 96.9 | Very high | 72 Ų | 72 | 96.7 Ų | 96.7 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | L50 F57 G58 | L50-V54 HydrophobicContact CD1-CG2 3.87Å; L50-V54 HydrophobicContact CG-CG2 4.39Å; L50-V54 WeakPolarHBondContact O-CB 3.41Å; L50-V54 WeakPolarHBondContact O-CG2 3.45Å; L50-V54 PolarHBondContact O-N 3.31Å; V54-F57 PolarHBondContact O-N 3.1Å; V54-G58 PolarHBondContact O-N 2.89Å |
| 55 | R | 98.4 | Very high | 97.1 | Very high | 174 Ų | 174 | 93 Ų | 93 | 66% | 0.657 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.3 | -52 | 176.4 | -178.9 | 176.5 | -69.6 | 150.9 | -1.4 | 111 | R51 L52 F57 G58 D59 | R51-R55 VanDerWaalsContact O-CB 3.25Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 3.3Å; L52-R55 PolarHBondContact O-N 2.93Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 PolarHBondContact O-N 3.47Å; R55-G58 PolarHBondContact O-N 3.19Å; R55-G58 VanDerWaalsContact O-N 3.13Å; R55-D59 PolarHBondContact O-N 3.45Å |
| 56 | R | 98.4 | Very high | 97.3 | Very high | 175 Ų | 175 | 91.1 Ų | 91.1 | 66% | 0.66 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 179 | -178.2 | 177.6 | 175.4 | 177.8 | 2.2 | 112.2 | L52 G58 D59 D60 | L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 3.19Å; R56-G58 VanDerWaalsContact C-N 3.3Å; R56-G58 PolarHBondContact O-N 3.44Å; R56-D59 PolarHBondContact O-N 3.16Å; R56-D60 IonicContact NE-OD2 3.87Å; R56-D60 WeakPolarHBondContact O-CB 3.42Å; R56-D60 PolarHBondContact O-N 3.03Å |
| 57 | F | 98.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 90 Ų | 90 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 175.6 | 177.4 | -112 | 0 | 0 | 0 | 111.7 | F19 A53 V54 R55 D60 L61 | F19-F57 HydrophobicContact CE2-CE1 4.15Å; F19-F57 HydrophobicContact CE2-CZ 4.48Å; F19-F57 HydrophobicContact CZ-CD1 4.22Å; F19-F57 HydrophobicContact CZ-CE1 4.09Å; A53-F57 WeakPolarHBondContact O-CB 3.11Å; A53-F57 PolarHBondContact O-N 3.2Å; V54-F57 PolarHBondContact O-N 3.1Å; R55-F57 VanDerWaalsContact C-N 3.34Å; R55-F57 PolarHBondContact O-N 3.47Å; F57-D60 PolarHBondContact O-N 3.26Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CD2-CG 4.49Å; F57-L61 HydrophobicContact CE1-CD1 3.52Å; F57-L61 HydrophobicContact CE1-CG 4.27Å; F57-L61 HydrophobicContact CE2-CD1 4.22Å; F57-L61 HydrophobicContact CE2-CD2 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.15Å; F57-L61 HydrophobicContact CZ-CD1 3.6Å; F57-L61 HydrophobicContact CZ-CD2 4.24Å; F57-L61 HydrophobicContact CZ-CG 4.04Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 2.96Å |
| 58 | G | 97.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V54 R55 R56 L61 N62 | V54-G58 PolarHBondContact O-N 2.89Å; R55-G58 PolarHBondContact O-N 3.19Å; R55-G58 VanDerWaalsContact O-N 3.13Å; R56-G58 VanDerWaalsContact C-N 3.3Å; R56-G58 PolarHBondContact O-N 3.44Å; G58-L61 PolarHBondContact O-N 2.85Å; G58-N62 WeakPolarHBondContact O-CB 3Å; G58-N62 PolarHBondContact O-N 3.29Å |
| 59 | D | 98.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 177.7 | -65.2 | -28.9 | 0 | 0 | 0 | 111.7 | R55 R56 L61 N62 N63 | R55-D59 PolarHBondContact O-N 3.45Å; R56-D59 PolarHBondContact O-N 3.16Å; D59-L61 PolarHBondContact O-N 3.49Å; D59-N62 PolarHBondContact O-N 3.25Å; D59-N63 PolarHBondContact O-N 3.08Å |
| 60 | D | 98.3 | Very high | 97.6 | Very high | 74 Ų | 74 | 92.4 Ų | 92.4 | 40% | 0.396 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 177.6 | -73.6 | -26.9 | 0 | 0 | 0 | 111.3 | R56 F57 N62 N63 I64 | R56-D60 IonicContact NE-OD2 3.87Å; R56-D60 WeakPolarHBondContact O-CB 3.42Å; R56-D60 PolarHBondContact O-N 3.03Å; F57-D60 PolarHBondContact O-N 3.26Å; D60-N62 PolarHBondContact O-N 2.9Å; D60-N63 PolarHBondContact O-N 3.33Å; D60-I64 VanDerWaalsContact O-CG1 3.3Å; D60-I64 WeakPolarHBondContact O-CG1 3.41Å; D60-I64 PolarHBondContact O-N 3.01Å |
| 61 | L | 97.8 | Very high | 97.6 | Very high | 66 Ų | 66 | 96.5 Ų | 96.5 | 35% | 0.346 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.3 | -72 | -175.9 | 0 | 0 | 0 | 112.3 | F12 F57 G58 D59 N63 I64 S65 | F12-L61 HydrophobicContact CE1-CD2 4.45Å; F57-L61 HydrophobicContact CD1-CD1 4.09Å; F57-L61 HydrophobicContact CD2-CG 4.49Å; F57-L61 HydrophobicContact CE1-CD1 3.52Å; F57-L61 HydrophobicContact CE1-CG 4.27Å; F57-L61 HydrophobicContact CE2-CD1 4.22Å; F57-L61 HydrophobicContact CE2-CD2 4.24Å; F57-L61 HydrophobicContact CE2-CG 4.15Å; F57-L61 HydrophobicContact CZ-CD1 3.6Å; F57-L61 HydrophobicContact CZ-CD2 4.24Å; F57-L61 HydrophobicContact CZ-CG 4.04Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 2.96Å; G58-L61 PolarHBondContact O-N 2.85Å; D59-L61 PolarHBondContact O-N 3.49Å; L61-N63 VanDerWaalsContact C-N 3.35Å; L61-I64 PolarHBondContact O-N 2.98Å; L61-S65 WeakPolarHBondContact O-CB 3.41Å; L61-S65 PolarHBondContact O-N 3.22Å |
| 62 | N | 98.1 | Very high | 97.5 | Very high | 101 Ų | 101 | 92.6 Ų | 92.6 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 176.9 | -176.5 | 61.6 | 0 | 0 | 0 | 112 | G58 D59 D60 S65 T66 | G58-N62 WeakPolarHBondContact O-CB 3Å; G58-N62 PolarHBondContact O-N 3.29Å; D59-N62 PolarHBondContact O-N 3.25Å; D60-N62 PolarHBondContact O-N 2.9Å; N62-S65 WeakPolarHBondContact O-CB 3.44Å; N62-S65 PolarHBondContact O-N 2.52Å; N62-T66 PolarHBondContact O-N 2.98Å; N62-T66 PolarHBondContact O-OG1 3.41Å |
| 63 | N | 98.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 92.3 Ų | 92.3 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 174 | -173.3 | 14 | 0 | 0 | 0 | 111.3 | D59 D60 L61 S65 T66 V67 | D59-N63 PolarHBondContact O-N 3.08Å; D60-N63 PolarHBondContact O-N 3.33Å; L61-N63 VanDerWaalsContact C-N 3.35Å; N63-S65 VanDerWaalsContact C-N 3.28Å; N63-S65 PolarHBondContact O-N 3Å; N63-T66 WeakPolarHBondContact O-CB 3.49Å; N63-T66 PolarHBondContact O-N 3.33Å; N63-T66 VanDerWaalsContact O-N 3.08Å; N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 2.9Å |
| 64 | I | 97.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 92.2 Ų | 92.2 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 175.6 | -66.8 | 164.2 | 0 | 0 | 0 | 110.9 | D60 L61 T66 V67 I68 | D60-I64 VanDerWaalsContact O-CG1 3.3Å; D60-I64 WeakPolarHBondContact O-CG1 3.41Å; D60-I64 PolarHBondContact O-N 3.01Å; L61-I64 PolarHBondContact O-N 2.98Å; I64-T66 VanDerWaalsContact C-N 3.32Å; I64-T66 PolarHBondContact O-N 2.96Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 HydrophobicContact CG2-CG1 4.46Å; I64-I68 WeakPolarHBondContact O-CG1 3.37Å; I64-I68 PolarHBondContact O-N 3.34Å |
| 65 | S | 97.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 94.3 Ų | 94.3 | 33% | 0.329 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 112 | L61 N62 N63 I68 K69 | L61-S65 WeakPolarHBondContact O-CB 3.41Å; L61-S65 PolarHBondContact O-N 3.22Å; N62-S65 WeakPolarHBondContact O-CB 3.44Å; N62-S65 PolarHBondContact O-N 2.52Å; N63-S65 VanDerWaalsContact C-N 3.28Å; N63-S65 PolarHBondContact O-N 3Å; S65-I68 PolarHBondContact O-N 2.92Å; S65-K69 WeakPolarHBondContact O-CG 3.49Å; S65-K69 PolarHBondContact O-N 3.26Å |
| 66 | T | 97.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 90.8 Ų | 90.8 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | N62 N63 I64 I68 K69 E70 | N62-T66 PolarHBondContact O-N 2.98Å; N62-T66 PolarHBondContact O-OG1 3.41Å; N63-T66 WeakPolarHBondContact O-CB 3.49Å; N63-T66 PolarHBondContact O-N 3.33Å; N63-T66 VanDerWaalsContact O-N 3.08Å; I64-T66 VanDerWaalsContact C-N 3.32Å; I64-T66 PolarHBondContact O-N 2.96Å; T66-I68 VanDerWaalsContact C-N 3.3Å; T66-I68 PolarHBondContact O-N 3.5Å; T66-K69 WeakPolarHBondContact O-CB 3.33Å; T66-K69 PolarHBondContact O-N 3.49Å; T66-K69 VanDerWaalsContact O-N 3.13Å; T66-E70 HydrophobicContact CG2-CG 4.42Å; T66-E70 WeakPolarHBondContact O-CG 3.44Å; T66-E70 PolarHBondContact O-N 2.91Å |
| 67 | V | 97.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 90 Ų | 90 | 38% | 0.376 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | N63 I64 R71 | N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 2.9Å; I64-V67 PolarHBondContact O-N 3.34Å; V67-R71 WeakPolarHBondContact O-CB 3.42Å; V67-R71 PolarHBondContact O-N 3.43Å |
| 68 | I | 95.2 | Very high | 96.2 | Very high | 88 Ų | 88 | 89.1 Ų | 89.1 | 45% | 0.451 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177.8 | -68.1 | 167.8 | 0 | 0 | 0 | 110.8 | I64 S65 T66 R71 T72 | I64-I68 HydrophobicContact CG2-CD1 3.85Å; I64-I68 HydrophobicContact CG2-CG1 4.46Å; I64-I68 WeakPolarHBondContact O-CG1 3.37Å; I64-I68 PolarHBondContact O-N 3.34Å; S65-I68 PolarHBondContact O-N 2.92Å; T66-I68 VanDerWaalsContact C-N 3.3Å; T66-I68 PolarHBondContact O-N 3.5Å; I68-R71 PolarHBondContact O-N 3.4Å; I68-T72 PolarHBondContact O-N 3Å; I68-T72 PolarHBondContact O-OG1 3.32Å |
| 69 | K | 96.3 | Very high | 95.9 | Very high | 128 Ų | 128 | 90.8 Ų | 90.8 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.4 | -49 | 176.6 | -71.6 | 171.3 | -174.6 | 173.1 | 0 | 111.2 | S65 T66 R71 T72 V73 | S65-K69 WeakPolarHBondContact O-CG 3.49Å; S65-K69 PolarHBondContact O-N 3.26Å; T66-K69 WeakPolarHBondContact O-CB 3.33Å; T66-K69 PolarHBondContact O-N 3.49Å; T66-K69 VanDerWaalsContact O-N 3.13Å; K69-R71 VanDerWaalsContact C-N 3.33Å; K69-R71 PolarHBondContact O-N 3.46Å; K69-T72 WeakPolarHBondContact O-CB 3.4Å; K69-T72 PolarHBondContact O-N 3.03Å; K69-T72 VanDerWaalsContact O-N 3.1Å; K69-V73 WeakPolarHBondContact O-CG2 3.48Å; K69-V73 PolarHBondContact O-N 3.02Å |
| 70 | E | 96.9 | Very high | 95.6 | Very high | 124 Ų | 124 | 90.3 Ų | 90.3 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 178.7 | -72.6 | 178.5 | 175.5 | 0 | 0 | 112.1 | T66 T72 V73 A74 | T66-E70 HydrophobicContact CG2-CG 4.42Å; T66-E70 WeakPolarHBondContact O-CG 3.44Å; T66-E70 PolarHBondContact O-N 2.91Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.28Å; E70-V73 PolarHBondContact O-N 3.13Å; E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.31Å |
| 71 | R | 96.4 | Very high | 95.2 | Very high | 149 Ų | 149 | 94.6 Ų | 94.6 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.1 | -44.8 | 174.5 | -175.5 | -172.3 | -59.8 | 154.5 | 3.4 | 111.6 | V67 I68 K69 V73 A74 Q75 | V67-R71 WeakPolarHBondContact O-CB 3.42Å; V67-R71 PolarHBondContact O-N 3.43Å; I68-R71 PolarHBondContact O-N 3.4Å; K69-R71 VanDerWaalsContact C-N 3.33Å; K69-R71 PolarHBondContact O-N 3.46Å; R71-V73 PolarHBondContact O-N 2.8Å; R71-A74 PolarHBondContact O-N 3.35Å; R71-Q75 WeakPolarHBondContact O-CG 3.48Å; R71-Q75 PolarHBondContact O-N 3.44Å |
| 72 | T | 95 | Very high | 94.7 | Very high | 63 Ų | 63 | 98.9 Ų | 98.9 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 180 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | I68 K69 E70 A74 Q75 I76 | I68-T72 PolarHBondContact O-N 3Å; I68-T72 PolarHBondContact O-OG1 3.32Å; K69-T72 WeakPolarHBondContact O-CB 3.4Å; K69-T72 PolarHBondContact O-N 3.03Å; K69-T72 VanDerWaalsContact O-N 3.1Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.28Å; T72-A74 PolarHBondContact O-N 3.23Å; T72-Q75 PolarHBondContact O-N 2.94Å; T72-I76 HydrophobicContact CG2-CD1 4.14Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 2.91Å |
| 73 | V | 95.3 | Very high | 94 | Very high | 95 Ų | 95 | 100 Ų | 100 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.4 | -45.7 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | K69 E70 R71 Q75 I76 K77 | K69-V73 WeakPolarHBondContact O-CG2 3.48Å; K69-V73 PolarHBondContact O-N 3.02Å; E70-V73 PolarHBondContact O-N 3.13Å; R71-V73 PolarHBondContact O-N 2.8Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 3.47Å; V73-I76 PolarHBondContact O-N 2.89Å; V73-K77 WeakPolarHBondContact O-CB 3.36Å; V73-K77 PolarHBondContact O-N 3.01Å |
| 74 | A | 93.3 | Very high | 93 | Very high | 59 Ų | 59 | 101.1 Ų | 101.1 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E70 R71 T72 K77 S78 | E70-A74 WeakPolarHBondContact O-CB 3.42Å; E70-A74 PolarHBondContact O-N 3.31Å; R71-A74 PolarHBondContact O-N 3.35Å; T72-A74 PolarHBondContact O-N 3.23Å; A74-K77 PolarHBondContact O-N 2.93Å; A74-S78 WeakPolarHBondContact O-CB 3.36Å; A74-S78 PolarHBondContact O-N 3.33Å |
| 75 | Q | 92.3 | Very high | 92 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 176.3 | -75.1 | 179.9 | -57.3 | 0 | 0 | 112.2 | R71 T72 V73 S78 T79 | R71-Q75 WeakPolarHBondContact O-CG 3.48Å; R71-Q75 PolarHBondContact O-N 3.44Å; T72-Q75 PolarHBondContact O-N 2.94Å; V73-Q75 VanDerWaalsContact C-N 3.34Å; V73-Q75 PolarHBondContact O-N 3.47Å; Q75-S78 PolarHBondContact O-N 2.77Å; Q75-T79 WeakPolarHBondContact O-CB 3.39Å; Q75-T79 PolarHBondContact O-N 3.45Å; Q75-T79 PolarHBondContact O-OG1 3.29Å |
| 76 | I | 93.8 | Very high | 90.8 | Very high | 101 Ų | 101 | 106.6 Ų | 106.6 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 174.9 | -66.7 | 166 | 0 | 0 | 0 | 109.7 | T72 V73 S78 T79 V80 | T72-I76 HydrophobicContact CG2-CD1 4.14Å; T72-I76 WeakPolarHBondContact O-CG1 3.34Å; T72-I76 PolarHBondContact O-N 2.91Å; V73-I76 PolarHBondContact O-N 2.89Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.44Å; I76-T79 CarbonylContact O-C 3.6Å; I76-T79 PolarHBondContact O-N 3.35Å; I76-V80 HydrophobicContact CG2-CG2 4.12Å; I76-V80 WeakPolarHBondContact O-CG2 3.36Å; I76-V80 PolarHBondContact O-N 3.48Å |
| 77 | K | 93.9 | Very high | 89.4 | Confident | 158 Ų | 158 | 110.9 Ų | 110.9 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.5 | -42.6 | -179.7 | -163.1 | 177.3 | -156.5 | 174.2 | 0 | 112.2 | V73 A74 T79 K81 | V73-K77 WeakPolarHBondContact O-CB 3.36Å; V73-K77 PolarHBondContact O-N 3.01Å; A74-K77 PolarHBondContact O-N 2.93Å; K77-T79 VanDerWaalsContact C-N 3.33Å; K77-K81 VanDerWaalsContact O-CB 3.31Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.26Å |
| 78 | S | 92.6 | Very high | 87.6 | Confident | 61 Ų | 61 | 112.4 Ų | 112.4 | 43% | 0.427 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.6 | -38.5 | 175.1 | -178 | 0 | 0 | 0 | 0 | 112 | A74 Q75 I76 R82 | A74-S78 WeakPolarHBondContact O-CB 3.36Å; A74-S78 PolarHBondContact O-N 3.33Å; Q75-S78 PolarHBondContact O-N 2.77Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.44Å; S78-R82 VanDerWaalsContact O-CB 3.3Å; S78-R82 WeakPolarHBondContact O-CB 3.31Å; S78-R82 PolarHBondContact O-N 3.5Å |
| 79 | T | 92.3 | Very high | 85.7 | Confident | 72 Ų | 72 | 115.1 Ų | 115.1 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.5 | -46.6 | 179.3 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | Q75 I76 K77 K81 R82 K83 | Q75-T79 WeakPolarHBondContact O-CB 3.39Å; Q75-T79 PolarHBondContact O-N 3.45Å; Q75-T79 PolarHBondContact O-OG1 3.29Å; I76-T79 CarbonylContact O-C 3.6Å; I76-T79 PolarHBondContact O-N 3.35Å; K77-T79 VanDerWaalsContact C-N 3.33Å; T79-K81 PolarHBondContact O-N 2.91Å; T79-R82 PolarHBondContact O-N 2.94Å; T79-K83 HydrophobicContact CG2-CG 4.29Å; T79-K83 WeakPolarHBondContact O-CB 3.42Å; T79-K83 VanDerWaalsContact O-CG 3.25Å; T79-K83 WeakPolarHBondContact O-CG 3.49Å; T79-K83 PolarHBondContact O-N 2.98Å |
| 80 | V | 91.3 | Very high | 83.6 | Confident | 90 Ų | 90 | 114.4 Ų | 114.4 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.1 | -46.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I76 R82 K83 L84 | I76-V80 HydrophobicContact CG2-CG2 4.12Å; I76-V80 WeakPolarHBondContact O-CG2 3.36Å; I76-V80 PolarHBondContact O-N 3.48Å; V80-R82 PolarHBondContact O-N 3.1Å; V80-K83 PolarHBondContact O-N 3.33Å; V80-L84 WeakPolarHBondContact O-CB 3.25Å; V80-L84 PolarHBondContact O-N 3.11Å |
| 81 | K | 90.8 | Very high | 81.2 | Confident | 164 Ų | 164 | 114.5 Ų | 114.5 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.1 | -41.7 | 177.1 | -175.2 | 177.2 | 179 | 178 | 0 | 112.2 | K77 T79 Y85 | K77-K81 VanDerWaalsContact O-CB 3.31Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.26Å; T79-K81 PolarHBondContact O-N 2.91Å; K81-Y85 WeakPolarHBondContact O-CB 3.35Å; K81-Y85 PolarHBondContact O-N 3.26Å |
| 82 | R | 87.4 | Confident | 78.7 | Confident | 156 Ų | 156 | 114.8 Ų | 114.8 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -45.7 | 176.1 | -171.9 | -171.9 | -54.2 | 176.2 | 4 | 110.8 | S78 T79 V80 Y85 E86 | S78-R82 VanDerWaalsContact O-CB 3.3Å; S78-R82 WeakPolarHBondContact O-CB 3.31Å; S78-R82 PolarHBondContact O-N 3.5Å; T79-R82 PolarHBondContact O-N 2.94Å; V80-R82 PolarHBondContact O-N 3.1Å; R82-Y85 PolarHBondContact O-N 2.99Å; R82-E86 VanDerWaalsContact O-CB 3.28Å; R82-E86 WeakPolarHBondContact O-CB 3.4Å; R82-E86 PolarHBondContact O-N 3.48Å |
| 83 | K | 82.8 | Confident | 76.4 | Confident | 125 Ų | 125 | 115.3 Ų | 115.3 | 54% | 0.543 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 178.4 | -71.9 | -64.8 | -176 | -176.3 | 0 | 111.6 | T79 V80 Y85 E86 D87 | T79-K83 HydrophobicContact CG2-CG 4.29Å; T79-K83 WeakPolarHBondContact O-CB 3.42Å; T79-K83 VanDerWaalsContact O-CG 3.25Å; T79-K83 WeakPolarHBondContact O-CG 3.49Å; T79-K83 PolarHBondContact O-N 2.98Å; V80-K83 PolarHBondContact O-N 3.33Å; K83-Y85 PolarHBondContact O-N 3.44Å; K83-E86 PolarHBondContact O-N 2.93Å; K83-D87 WeakPolarHBondContact O-CB 3.3Å; K83-D87 PolarHBondContact O-N 2.82Å |
| 84 | L | 77.1 | Confident | 73.9 | Confident | 119 Ų | 119 | 117.3 Ų | 117.3 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -39.1 | 175.1 | -170.4 | 66 | 0 | 0 | 0 | 112.2 | V80 S88 | V80-L84 WeakPolarHBondContact O-CB 3.25Å; V80-L84 PolarHBondContact O-N 3.11Å; L84-S88 WeakPolarHBondContact O-CB 3.35Å; L84-S88 PolarHBondContact O-N 3.22Å |
| 85 | Y | 76.4 | Confident | 71.4 | Confident | 143 Ų | 143 | 123.3 Ų | 123.3 | 56% | 0.561 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.7 | -32.9 | 176.1 | -177.4 | -124.5 | 0 | 0 | 0 | 112.8 | K81 R82 K83 R89 | K81-Y85 WeakPolarHBondContact O-CB 3.35Å; K81-Y85 PolarHBondContact O-N 3.26Å; R82-Y85 PolarHBondContact O-N 2.99Å; K83-Y85 PolarHBondContact O-N 3.44Å; Y85-R89 VanDerWaalsContact CE1-NE 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 2.88Å; Y85-R89 PolarHBondContact O-NE 3.05Å; Y85-R89 PolarHBondContact OH-NH1 3.35Å |
| 86 | E | 72.8 | Confident | 69.3 | Low | 114 Ų | 114 | 122.7 Ų | 122.7 | 53% | 0.533 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -75.8 | -39.1 | 177.4 | -164.2 | 164.1 | 156.3 | 0 | 0 | 111.8 | R82 K83 R89 | R82-E86 VanDerWaalsContact O-CB 3.28Å; R82-E86 WeakPolarHBondContact O-CB 3.4Å; R82-E86 PolarHBondContact O-N 3.48Å; K83-E86 PolarHBondContact O-N 2.93Å; E86-R89 PolarHBondContact O-N 2.8Å |
| 87 | D | 68.8 | Low | 66.9 | Low | 143 Ų | 143 | 124.1 Ų | 124.1 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.8 | -31 | 177.9 | -164 | 55.7 | 0 | 0 | 0 | 112.3 | K83 R89 | K83-D87 WeakPolarHBondContact O-CB 3.3Å; K83-D87 PolarHBondContact O-N 2.82Å; D87-R89 VanDerWaalsContact C-N 3.25Å; D87-R89 PolarHBondContact O-N 2.8Å |
| 88 | S | 58.3 | Low | 64.4 | Low | 94 Ų | 94 | 125.9 Ų | 125.9 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -0.7 | 172.9 | -161.9 | 0 | 0 | 0 | 0 | 113.3 | L84 V90 | L84-S88 WeakPolarHBondContact O-CB 3.35Å; L84-S88 PolarHBondContact O-N 3.22Å; S88-V90 PolarHBondContact O-N 3.29Å |
| 89 | R | 55.1 | Low | 62.2 | Low | 145 Ų | 145 | 132.5 Ų | 132.5 | 55% | 0.547 | 69% | 0.686 | S | S | . | * | trans | -84.2 | 95.2 | 168.9 | -45 | -143.8 | -154.6 | 177.9 | 24.2 | 109.5 | Y85 E86 D87 | Y85-R89 VanDerWaalsContact CE1-NE 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 2.88Å; Y85-R89 PolarHBondContact O-NE 3.05Å; Y85-R89 PolarHBondContact OH-NH1 3.35Å; E86-R89 PolarHBondContact O-N 2.8Å; D87-R89 VanDerWaalsContact C-N 3.25Å; D87-R89 PolarHBondContact O-N 2.8Å | ||
| 90 | V | 53 | Low | 59.6 | Low | 112 Ų | 112 | 134.8 Ų | 134.8 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | trans | -43.8 | 138.6 | 150.4 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | S88 I92 | S88-V90 PolarHBondContact O-N 3.29Å; V90-I92 VanDerWaalsContact C-N 3.3Å; V90-I92 PolarHBondContact O-N 3.41Å | ||
| 91 | P | 45.7 | Very low | 57.5 | Low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | -62.6 | 93.2 | 177.2 | -11.2 | 24.3 | 0 | 0 | 0 | 108.8 | A93 | P91-A93 PolarHBondContact O-N 3.08Š| ||
| 92 | I | 44.6 | Very low | 55.2 | Low | 154 Ų | 154 | 137.1 Ų | 137.1 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -77.3 | 110.8 | 167.1 | -68 | 176.8 | 0 | 0 | 0 | 105.1 | V90 T94 | V90-I92 VanDerWaalsContact C-N 3.3Å; V90-I92 PolarHBondContact O-N 3.41Å; I92-T94 PolarHBondContact O-N 3.02Å | ||
| 93 | A | 46.1 | Very low | 53.2 | Low | 74 Ų | 74 | 138.8 Ų | 138.8 | 61% | 0.612 | 72% | 0.724 | S | S | * | * | trans | -32.5 | 126.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P91 E95 | P91-A93 PolarHBondContact O-N 3.08Å; A93-E95 PolarHBondContact O-N 3.48Å | ||
| 94 | T | 43.7 | Very low | 51 | Low | 138 Ų | 138 | 137.9 Ų | 137.9 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | trans | -67 | 79.1 | 167.1 | 29.5 | 0 | 0 | 0 | 0 | 109.1 | I92 S96 | I92-T94 PolarHBondContact O-N 3.02Å; T94-S96 PolarHBondContact O-N 2.83Å | ||
| 95 | E | 40.3 | Very low | 49.2 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -68.4 | 115.6 | 165.5 | -74.1 | -162.4 | 91.8 | 0 | 0 | 109.1 | A93 | A93-E95 PolarHBondContact O-N 3.48Š| ||
| 96 | S | 49.1 | Very low | 47.5 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -85.2 | 136 | 175.2 | -48.9 | 0 | 0 | 0 | 0 | 109.3 | T94 | T94-S96 PolarHBondContact O-N 2.83Š| ||
| 97 | P | 42.8 | Very low | 45.6 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -109.3 | 104.3 | 149.1 | -11 | 30.2 | 0 | 0 | 0 | 111.4 | ||||
| 98 | K | 42.5 | Very low | 44.3 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -88.7 | 151.6 | 157.3 | -75.9 | 179.5 | 177 | 172.2 | 0 | 108.9 | ||||
| 99 | K | 45.8 | Very low | 43.5 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | 80.1 | 132 | 170 | -82.1 | 179 | 170.3 | 178.9 | 0 | 114.8 | ||||
| 100 | T | 38.2 | Very low | 43.3 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -157.4 | 127.4 | 28.4 | 35.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 101 | V | 46.4 | Very low | 42.6 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | 73.1 | 109.7 | 92.6 | 178.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 102 | K | 42.5 | Very low | 42.7 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 65.5 | 151.9 | 144.7 | -64.8 | 171.3 | -168.5 | 179.9 | 0 | 117.6 | ||||
| 103 | K | 44.4 | Very low | 42.5 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | cis | 177.8 | 133.8 | -8.1 | 164.6 | -175.2 | 178.6 | -177.5 | 0 | 103.6 | ||||
| 104 | A | 36.6 | Very low | 42.7 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -158.5 | 125.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 105 | A | 40 | Very low | 42.5 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -112.3 | 179.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 106 | V | 40.2 | Very low | 42.2 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 97.9 | 133.5 | 162.7 | -171.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 107 | A | 34.8 | Very low | 42 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | cis | -177.8 | 156.3 | -18.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 108 | M | 39.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 128 Ų | 128 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | 58.5 | 141.2 | 139 | -69.7 | 172.6 | 82.8 | 0 | 0 | 120.2 | ||||
| 109 | A | 41.3 | Very low | 41.2 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | -166.6 | -148 | 7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 110 | P | 52.3 | Low | 41.2 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -125 | 166.2 | -108.8 | 38.1 | -19.1 | 0 | 0 | 0 | 118.3 | |||||
| 111 | A | 37.8 | Very low | 41 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 57.4 | 164.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 112 | P | 47.9 | Very low | 40.6 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | cis | -135.1 | 175.7 | 9.7 | 39.1 | -18.3 | 0 | 0 | 0 | 117.8 | ||||
| 113 | V | 40.2 | Very low | 40.7 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -93.3 | 166.8 | 167.9 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 114 | P | 50.5 | Low | 40.4 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | -145.3 | 176.9 | 61.4 | 31.4 | -5.5 | 0 | 0 | 0 | 113.9 | |||||
| 115 | A | 39.2 | Very low | 40.4 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | cis | -165.2 | 164.1 | 47.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 116 | A | 34.8 | Very low | 40.3 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -84.5 | -171.5 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 117 | P | 44.6 | Very low | 40.2 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -151.2 | 174.1 | 54.2 | 39 | -15.8 | 0 | 0 | 0 | 119.9 | |||||
| 118 | A | 30.6 | Very low | 40.3 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | 74.2 | 138.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 119 | M | 37 | Very low | 40.4 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | cis | -154.6 | 161.5 | 47 | -32.6 | -78.8 | -102.5 | 0 | 0 | 112.3 | ||||
| 120 | I | 45.8 | Very low | 40.2 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -58.7 | 136 | 176.5 | -63.6 | 144.7 | 0 | 0 | 0 | 113.8 | ||||
| 121 | A | 33.8 | Very low | 39.4 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -158.8 | 115.6 | 153 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 122 | V | 37.7 | Very low | 39.1 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -97.7 | 144 | 159.5 | 166.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 123 | P | 46 | Very low | 38.7 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | -148.3 | -168.7 | 60.8 | 39.5 | -15.3 | 0 | 0 | 0 | 112.6 | |||||
| 124 | T | 36.8 | Very low | 38.5 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | cis | -162.1 | 166.4 | 18.6 | -164.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 125 | S | 38 | Very low | 37.7 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -63.6 | 149.6 | -171.5 | -55.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 126 | Q | 37.7 | Very low | 37.7 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 140 | 161.3 | -63.7 | 171.6 | 7.5 | 0 | 0 | 110 | ||||
| 127 | V | 38.4 | Very low | 38.3 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -133.8 | 118 | 157.2 | 173 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 128 | V | 35.2 | Very low | 37.9 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | -81.7 | 141.1 | 163.9 | 177 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 129 | V | 42.1 | Very low | 38.1 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -170.1 | 136.2 | 135.3 | 164.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 130 | A | 38.5 | Very low | 38 | Very low | 78 Ų | 78 | 130 Ų | 130 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | trans | -91.7 | -170.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 131 | T | 34.2 | Very low | 38.2 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | 92 | 133.2 | 176.7 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 132 | G | 33.3 | Very low | 39.1 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | cis | -169.5 | 172.5 | 7.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 133 | M | 37.8 | Very low | 39.4 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -42.9 | 156.1 | 178.7 | -65.1 | 127.3 | 59.8 | 0 | 0 | 115.7 | ||||
| 134 | Q | 37.2 | Very low | 39 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | 175.2 | 119.8 | 110.8 | -162.9 | 156.7 | -53.6 | 0 | 0 | 114.4 | |||||
| 135 | N | 32.5 | Very low | 39.2 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 46.4 | 118.5 | 141.2 | -57 | 14 | 0 | 0 | 0 | 123.3 | ||||
| 136 | S | 39.4 | Very low | 39.2 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -85.6 | 153.5 | 133.1 | 29 | 0 | 0 | 0 | 0 | 110 | ||||
| 137 | P | 47.3 | Very low | 39.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -148.7 | 151.3 | 94.3 | 35.6 | -16.5 | 0 | 0 | 0 | 117 | |||||
| 138 | S | 36.8 | Very low | 39.7 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 57.4 | 122.4 | 136 | -153.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 139 | L | 34.3 | Very low | 40.5 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | 169.3 | 125.8 | 112.5 | -87.5 | 148.8 | 0 | 0 | 0 | 110.8 | |||||
| 140 | A | 35.3 | Very low | 40.9 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -114.8 | -174.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 141 | P | 50.2 | Low | 42 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -137.9 | -142.9 | -9.3 | 42.3 | -20.5 | 0 | 0 | 0 | 110.1 | ||||
| 142 | P | 51.8 | Low | 43.5 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -133 | 175 | -23.2 | 36.7 | -18.1 | 0 | 0 | 0 | 114.3 | ||||
| 143 | I | 44.2 | Very low | 44.7 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | 177.6 | 98.3 | 145.4 | -83.2 | 142.3 | 0 | 0 | 0 | 106.3 | ||||
| 144 | K | 38.6 | Very low | 45.7 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | 72.3 | 117.2 | 95.4 | -76.5 | -176.8 | -180 | 174.9 | 0 | 116.8 | |||||
| 145 | K | 40.3 | Very low | 46.7 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | trans | 87.9 | 111.3 | 150.1 | -63.5 | 175.2 | 179.2 | -177.1 | 0 | 117.4 | ||||
| 146 | Q | 38.8 | Very low | 47.8 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | 86.5 | 129.2 | 89.6 | -160.3 | -178.8 | -76.1 | 0 | 0 | 109.7 | |||||
| 147 | K | 40.6 | Very low | 48.9 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | cis | -156.8 | 141.2 | 28.3 | -165.4 | 172 | 170.2 | -175.7 | 0 | 108.2 | A149 | K147-A149 PolarHBondContact O-N 3.3Š| ||
| 148 | T | 45.1 | Very low | 49.2 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -64.9 | 116.8 | 161.3 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | D150 | T148-D150 VanDerWaalsContact C-N 3.32Å; T148-D150 PolarHBondContact O-N 3.27Å; T148-D150 VanDerWaalsContact O-N 3.08Å | ||
| 149 | A | 52.5 | Low | 50.2 | Low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | -79.2 | 86.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | K147 V151 | K147-A149 PolarHBondContact O-N 3.3Å; A149-V151 PolarHBondContact O-N 2.81Å | ||
| 150 | D | 50 | Low | 51.3 | Low | 124 Ų | 124 | 130.8 Ų | 130.8 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | -66.7 | 108 | 156.4 | -166.2 | -91.1 | 0 | 0 | 0 | 106.7 | T148 T152 | T148-D150 VanDerWaalsContact C-N 3.32Å; T148-D150 PolarHBondContact O-N 3.27Å; T148-D150 VanDerWaalsContact O-N 3.08Å; D150-T152 VanDerWaalsContact C-N 3.27Å; D150-T152 PolarHBondContact O-N 3.47Å; D150-T152 PolarHBondContact O-OG1 3.02Å; D150-T152 PolarHBondContact OD1-OG1 2.96Å | ||
| 151 | V | 61.4 | Low | 52.5 | Low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | trans | -78.9 | 83.8 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | A149 | A149-V151 PolarHBondContact O-N 2.81Š| ||
| 152 | T | 65.9 | Low | 52.5 | Low | 86 Ų | 86 | 133.2 Ų | 133.2 | 53% | 0.528 | 74% | 0.739 | S | S | . | * | trans | -75.3 | 131.6 | 173.3 | -14.3 | 0 | 0 | 0 | 0 | 108.5 | D150 S154 A155 | D150-T152 VanDerWaalsContact C-N 3.27Å; D150-T152 PolarHBondContact O-N 3.47Å; D150-T152 PolarHBondContact O-OG1 3.02Å; D150-T152 PolarHBondContact OD1-OG1 2.96Å; T152-S154 PolarHBondContact O-N 2.8Å; T152-A155 PolarHBondContact O-N 3.29Å; T152-A155 VanDerWaalsContact O-N 3.11Å | ||
| 153 | L | 59.3 | Low | 52.7 | Low | 154 Ų | 154 | 132.8 Ų | 132.8 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -56.9 | -9.1 | -173.9 | -68.2 | 170.5 | 0 | 0 | 0 | 115.3 | A155 | L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.42Å |
| 154 | S | 58.6 | Low | 53 | Low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -71.5 | -16.1 | 174.3 | -53.7 | 0 | 0 | 0 | 0 | 114 | T152 L156 | T152-S154 PolarHBondContact O-N 2.8Å; S154-L156 VanDerWaalsContact C-N 3.28Å; S154-L156 PolarHBondContact O-N 2.84Å |
| 155 | A | 57.2 | Low | 53.6 | Low | 81 Ų | 81 | 129.4 Ų | 129.4 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -77.8 | -5.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T152 L153 | T152-A155 PolarHBondContact O-N 3.29Å; T152-A155 VanDerWaalsContact O-N 3.11Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.42Å |
| 156 | L | 56.5 | Low | 54.4 | Low | 144 Ų | 144 | 126.1 Ų | 126.1 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -99.4 | 3.5 | 177.9 | -71.8 | 173.9 | 0 | 0 | 0 | 113.6 | S154 | S154-L156 VanDerWaalsContact C-N 3.28Å; S154-L156 PolarHBondContact O-N 2.84Å |
| 157 | N | 62.3 | Low | 55.1 | Low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -109.8 | 3.8 | -174.6 | -155.2 | 66.9 | 0 | 0 | 0 | 114.9 | ||
| 158 | D | 53.7 | Low | 55.6 | Low | 151 Ų | 151 | 122.8 Ų | 122.8 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | trans | -100.7 | 35 | 175.4 | -79.9 | -46.3 | 0 | 0 | 0 | 112.3 | D160 | D158-D160 PolarHBondContact O-N 3.16Š| ||
| 159 | S | 58.1 | Low | 55.9 | Low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -75.9 | 87.8 | 161 | -62.6 | 0 | 0 | 0 | 0 | 107.7 | V161 | S159-V161 PolarHBondContact O-N 3.37Š| ||
| 160 | D | 57.9 | Low | 55.7 | Low | 133 Ų | 133 | 124 Ų | 124 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -36.8 | 103.8 | 166.6 | -168.2 | -77.4 | 0 | 0 | 0 | 110.6 | D158 N162 | D158-D160 PolarHBondContact O-N 3.16Å; D160-N162 PolarHBondContact O-N 3.22Å; D160-N162 VanDerWaalsContact OD1-C 3.3Å; D160-N162 PolarHBondContact OD1-N 2.86Å | ||
| 161 | V | 60.4 | Low | 55.6 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -88 | 47 | 170.4 | -78.4 | 0 | 0 | 0 | 0 | 108.7 | S159 | S159-V161 PolarHBondContact O-N 3.37Š| ||
| 162 | N | 49.9 | Very low | 54.4 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -162 | 107 | 162.1 | -135.6 | -51.8 | 0 | 0 | 0 | 115.7 | D160 | D160-N162 PolarHBondContact O-N 3.22Å; D160-N162 VanDerWaalsContact OD1-C 3.3Å; D160-N162 PolarHBondContact OD1-N 2.86Å |
| 163 | S | 55.1 | Low | 53.4 | Low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 49.3 | 103 | 142.6 | 69.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 164 | D | 51.3 | Low | 52.7 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -113.3 | 83.8 | 131.3 | -166.8 | 35.6 | 0 | 0 | 0 | 107.4 | V166 | D164-V166 VanDerWaalsContact C-N 3.35Å; D164-V166 PolarHBondContact O-N 3.11Å; D164-V166 VanDerWaalsContact O-N 3.09Å | ||
| 165 | L | 50.1 | Low | 52.1 | Low | 126 Ų | 126 | 125.7 Ų | 125.7 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | -66.9 | 97.6 | 167.5 | -171.6 | 74.1 | 0 | 0 | 0 | 106 | D167 | L165-D167 PolarHBondContact O-N 3.41Š| ||
| 166 | V | 57.4 | Low | 52 | Low | 112 Ų | 112 | 126.3 Ų | 126.3 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | -67.3 | 88.8 | 167.6 | -79.6 | 0 | 0 | 0 | 0 | 108.7 | D164 I168 | D164-V166 VanDerWaalsContact C-N 3.35Å; D164-V166 PolarHBondContact O-N 3.11Å; D164-V166 VanDerWaalsContact O-N 3.09Å; V166-I168 VanDerWaalsContact C-N 3.31Å; V166-I168 PolarHBondContact O-N 3.23Å | ||
| 167 | D | 53 | Low | 51.3 | Low | 128 Ų | 128 | 127.6 Ų | 127.6 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | trans | -61.2 | 90.6 | 164.7 | -72 | -54.3 | 0 | 0 | 0 | 109.1 | L165 E169 | L165-D167 PolarHBondContact O-N 3.41Å; D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.28Å | ||
| 168 | I | 52 | Low | 50.6 | Low | 164 Ų | 164 | 129.5 Ų | 129.5 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -93.7 | 72.6 | 160.4 | -81.7 | 159.9 | 0 | 0 | 0 | 106.9 | V166 | V166-I168 VanDerWaalsContact C-N 3.31Å; V166-I168 PolarHBondContact O-N 3.23Å | ||
| 169 | E | 51.5 | Low | 50.7 | Low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -89.4 | 119.8 | 161 | -171.4 | 173.8 | 175.2 | 0 | 0 | 108.8 | D167 | D167-E169 VanDerWaalsContact C-N 3.27Å; D167-E169 PolarHBondContact O-N 3.28Å | ||
| 170 | G | 49 | Very low | 50.3 | Low | 61 Ų | 61 | 133.9 Ų | 133.9 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | 80.1 | 92.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 171 | L | 46.3 | Very low | 50 | Low | 189 Ų | 189 | 134.2 Ų | 134.2 | 99% | 0.99 | 77% | 0.77 | S | S | * | * | trans | -154.2 | 109.7 | 134.7 | -133.6 | 78 | 0 | 0 | 0 | 110.9 | ||||
| 172 | G | 36.7 | Very low | 49.2 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 129.2 | 74.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 173 | D | 44.6 | Very low | 49.5 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | trans | -60 | 131.5 | 157.2 | -150 | -74.7 | 0 | 0 | 0 | 109.6 | ||||
| 174 | G | 44.7 | Very low | 49.1 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 178.7 | 73.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 175 | S | 47.4 | Very low | 48.9 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 75.6 | 108 | 143.1 | -156.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 176 | S | 53.4 | Low | 49.1 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | 22.7 | 115.6 | 144.7 | 64.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 177 | N | 41.8 | Very low | 48.9 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | trans | -129 | 120.3 | 143.2 | -119.1 | -88.9 | 0 | 0 | 0 | 111.5 | ||||
| 178 | K | 48.6 | Very low | 48.8 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 138.3 | -172.9 | -68.1 | 176.3 | 179.7 | 177.4 | 0 | 110.2 | L180 | K178-L180 PolarHBondContact O-N 3.23Å; K178-L180 VanDerWaalsContact O-N 3.16Å | ||
| 179 | K | 55.6 | Low | 48.8 | Very low | 202 Ų | 202 | 140 Ų | 140 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | -37.3 | 111.9 | 149.6 | -169.1 | 176.8 | -178.7 | -169.5 | 0 | 110.4 | ||||
| 180 | L | 49.9 | Very low | 48.5 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -112.6 | 98.8 | 165.6 | -147.5 | 89.4 | 0 | 0 | 0 | 108.1 | K178 F182 | K178-L180 PolarHBondContact O-N 3.23Å; K178-L180 VanDerWaalsContact O-N 3.16Å; L180-F182 HydrophobicContact CD2-CD2 3.72Å; L180-F182 HydrophobicContact CD2-CE2 4.21Å; L180-F182 HydrophobicContact CG-CD2 4.43Å; L180-F182 PolarHBondContact O-N 3.34Å | ||
| 181 | N | 50.5 | Low | 48.6 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 102.8 | 167.4 | -177.4 | 83.6 | 0 | 0 | 0 | 106.7 | ||||
| 182 | F | 45.3 | Very low | 49.1 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -95.3 | 108.3 | 171.1 | -130.5 | -92.4 | 0 | 0 | 0 | 108.9 | L180 Q184 | L180-F182 HydrophobicContact CD2-CD2 3.72Å; L180-F182 HydrophobicContact CD2-CE2 4.21Å; L180-F182 HydrophobicContact CG-CD2 4.43Å; L180-F182 PolarHBondContact O-N 3.34Å; F182-Q184 PolarHBondContact O-N 3.45Å; F182-Q184 VanDerWaalsContact O-N 3.11Å | ||
| 183 | D | 55.8 | Low | 50.1 | Low | 79 Ų | 79 | 139 Ų | 139 | 42% | 0.422 | 76% | 0.758 | S | S | . | * | trans | -41.9 | 105.2 | 165.1 | -160.1 | -87.3 | 0 | 0 | 0 | 110.5 | E185 S186 | D183-E185 WeakPolarHBondContact OD1-CG 3.46Å; D183-S186 WeakPolarHBondContact OD1-CB 3.1Å; D183-S186 PolarHBondContact OD1-OG 2.74Å | ||
| 184 | Q | 45.7 | Very low | 50.6 | Low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -114.1 | 37.6 | 167.5 | -160.2 | 170.1 | -3.8 | 0 | 0 | 109.6 | F182 | F182-Q184 PolarHBondContact O-N 3.45Å; F182-Q184 VanDerWaalsContact O-N 3.11Å | ||
| 185 | E | 48 | Very low | 50.9 | Low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -102.3 | -3.9 | 167.2 | 53.6 | -178.9 | 87.4 | 0 | 0 | 112.6 | D183 | D183-E185 WeakPolarHBondContact OD1-CG 3.46Š|
| 186 | S | 55.1 | Low | 50.6 | Low | 80 Ų | 80 | 144 Ų | 144 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -99.1 | 19.9 | -171.6 | -71.3 | 0 | 0 | 0 | 0 | 117.6 | D183 | D183-S186 WeakPolarHBondContact OD1-CB 3.1Å; D183-S186 PolarHBondContact OD1-OG 2.74Å |
| 187 | L | 52.2 | Low | 50.4 | Low | 149 Ų | 149 | 144.3 Ų | 144.3 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -130.2 | 21.6 | -179.3 | -31.7 | -174.3 | 0 | 0 | 0 | 116.9 | L189 | L187-L189 PolarHBondContact O-N 3.37Š| ||
| 188 | N | 51.4 | Low | 50.9 | Low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -90.1 | 60.7 | 165.7 | -152.3 | -78.9 | 0 | 0 | 0 | 110.6 | ||||
| 189 | L | 51.1 | Low | 50.7 | Low | 159 Ų | 159 | 138.9 Ų | 138.9 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -98 | 104.3 | 166 | -80.4 | 164.6 | 0 | 0 | 0 | 108.1 | L187 | L187-L189 PolarHBondContact O-N 3.37Š| ||
| 190 | D | 46.1 | Very low | 50.6 | Low | 104 Ų | 104 | 136.8 Ų | 136.8 | 56% | 0.556 | 74% | 0.742 | S | S | * | * | trans | 69 | 84.5 | 142.2 | -154.2 | -7.8 | 0 | 0 | 0 | 117.9 | S192 | D190-S192 PolarHBondContact O-N 3.09Å; D190-S192 WeakPolarHBondContact OD1-CA 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.38Å; D190-S192 PolarHBondContact OD1-N 3Å; D190-S192 PolarHBondContact OD1-OG 3.37Å | ||
| 191 | S | 50.9 | Low | 50.6 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 21.6 | 164 | -65.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 192 | S | 55.7 | Low | 51 | Low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3.3 | 176.5 | -34 | 0 | 0 | 0 | 0 | 114.5 | D190 | D190-S192 PolarHBondContact O-N 3.09Å; D190-S192 WeakPolarHBondContact OD1-CA 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.38Å; D190-S192 PolarHBondContact OD1-N 3Å; D190-S192 PolarHBondContact OD1-OG 3.37Å |
| 193 | L | 58.8 | Low | 51.1 | Low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | -109.4 | 0.2 | -167.6 | -160.2 | 59.3 | 0 | 0 | 0 | 116.3 | M195 | L193-M195 PolarHBondContact O-N 2.94Å; L193-M195 VanDerWaalsContact O-N 3.12Å | ||
| 194 | I | 53.5 | Low | 50.9 | Low | 162 Ų | 162 | 136 Ų | 136 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -90.2 | 88.1 | -177.9 | -54.1 | 179.1 | 0 | 0 | 0 | 111.4 | ||
| 195 | M | 51.5 | Low | 51.2 | Low | 158 Ų | 158 | 142.9 Ų | 142.9 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | 46.3 | 88.9 | 133.3 | -131.5 | 141 | 88.8 | 0 | 0 | 117.6 | L193 S197 | L193-M195 PolarHBondContact O-N 2.94Å; L193-M195 VanDerWaalsContact O-N 3.12Å; M195-S197 PolarHBondContact O-N 2.85Å | ||
| 196 | N | 41.8 | Very low | 51.3 | Low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -78.4 | 92.4 | 155.1 | -168.5 | -5.3 | 0 | 0 | 0 | 108.7 | S198 | N196-S198 PolarHBondContact O-N 3.4Å; N196-S198 VanDerWaalsContact O-N 3.11Å; N196-S198 VanDerWaalsContact OD1-CB 3.25Å; N196-S198 WeakPolarHBondContact OD1-CB 3.03Å; N196-S198 PolarHBondContact OD1-N 2.96Å; N196-S198 PolarHBondContact OD1-OG 2.94Å; N196-S198 VanDerWaalsContact OD1-OG 3.13Å | ||
| 197 | S | 48 | Very low | 51.1 | Low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 27.9 | 174.8 | -58 | 0 | 0 | 0 | 0 | 113.4 | M195 | M195-S197 PolarHBondContact O-N 2.85Š| ||
| 198 | S | 53.9 | Low | 51.1 | Low | 91 Ų | 91 | 144.5 Ų | 144.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | -119.3 | 55.7 | -175.8 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | N196 | N196-S198 PolarHBondContact O-N 3.4Å; N196-S198 VanDerWaalsContact O-N 3.11Å; N196-S198 VanDerWaalsContact OD1-CB 3.25Å; N196-S198 WeakPolarHBondContact OD1-CB 3.03Å; N196-S198 PolarHBondContact OD1-N 2.96Å; N196-S198 PolarHBondContact OD1-OG 2.94Å; N196-S198 VanDerWaalsContact OD1-OG 3.13Å | ||
| 199 | D | 43.4 | Very low | 51.1 | Low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -159.3 | 92.4 | 156.4 | -144.9 | -114.5 | 0 | 0 | 0 | 111.4 | ||||
| 200 | L | 53.5 | Low | 51.1 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 139.6 | 158 | -79.7 | 155.4 | 0 | 0 | 0 | 108.2 | ||||
| 201 | P | 49.9 | Very low | 51.4 | Low | 108 Ų | 108 | 145.3 Ų | 145.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -116.5 | 123.4 | 134.6 | 30.3 | -21.1 | 0 | 0 | 0 | 110.1 | ||||
| 202 | L | 59.6 | Low | 51.4 | Low | 147 Ų | 147 | 147.1 Ų | 147.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -55.2 | 161.4 | 151.8 | -62 | 172.3 | 0 | 0 | 0 | 109.6 | ||||
| 203 | L | 47.5 | Very low | 51.1 | Low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 106 | 128.2 | 177.2 | -60.3 | 144.3 | 0 | 0 | 0 | 111.5 | ||||
| 204 | S | 51.7 | Low | 50.5 | Low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | cis | -172.8 | 148.1 | 4.7 | -90.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 205 | R | 51.1 | Low | 50.2 | Low | 326 Ų | 326 | 148.9 Ų | 148.9 | 100% | 1.23 | 79% | 0.793 | S | S | * | * | trans | 65.3 | 0 | 157.5 | -85.5 | 174.3 | 79.3 | 157.9 | 3.2 | 119.9 |
Retrieved 205 of 205 residues in 72.6 ms
(Link to these results)